smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001267591170 837502428 /nfs/dbraw/zinc/50/24/28/837502428.db2.gz MCTNGJPOZVMRRN-QFBILLFUSA-N 0 3 397.475 3.632 20 5 GHBDHN COc1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430154506 834620536 /nfs/dbraw/zinc/62/05/36/834620536.db2.gz XIHLZOQYCXXFQH-KXBFYZLASA-N 0 3 386.448 3.528 20 5 GHBDHN CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001125682295 834696459 /nfs/dbraw/zinc/69/64/59/834696459.db2.gz JBGQSALNIQSKNI-IBGZPJMESA-N 0 3 375.513 3.725 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000179186820 835010692 /nfs/dbraw/zinc/01/06/92/835010692.db2.gz DRBFTGGEGHEYOX-QKYXUNIQSA-N 0 3 382.464 3.709 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)c1 ZINC000610223474 835254387 /nfs/dbraw/zinc/25/43/87/835254387.db2.gz LNLLBCJYXMKBHI-OAQYLSRUSA-N 0 3 381.476 3.716 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H](O)c3ccccc3F)o2)c([N+](=O)[O-])c1 ZINC000102423906 835370882 /nfs/dbraw/zinc/37/08/82/835370882.db2.gz PTBKHNSHEGKQAP-LJQANCHMSA-N 0 3 386.379 3.826 20 5 GHBDHN COc1ccc([C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000254969849 835447448 /nfs/dbraw/zinc/44/74/48/835447448.db2.gz VVBSBJQQESYLGO-WXCJZBCHSA-N 0 3 395.459 3.570 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000584236151 835794389 /nfs/dbraw/zinc/79/43/89/835794389.db2.gz VADCWDJMNRLORG-FQEVSTJZSA-N 0 3 385.464 3.723 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000500861373 844095876 /nfs/dbraw/zinc/09/58/76/844095876.db2.gz JLJXDQNVZRVCOB-QFBILLFUSA-N 0 3 392.459 3.501 20 5 GHBDHN COc1cc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccccc1 ZINC000179708521 835951977 /nfs/dbraw/zinc/95/19/77/835951977.db2.gz VVXPNTCUSBUARI-MRXNPFEDSA-N 0 3 396.447 3.730 20 5 GHBDHN CC1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179727347 835962969 /nfs/dbraw/zinc/96/29/69/835962969.db2.gz UXGZHYDKPNRWNM-UHFFFAOYSA-N 0 3 392.459 3.794 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(c4nnc5n4CCC5)CC3)o2)c1 ZINC000375836898 836042025 /nfs/dbraw/zinc/04/20/25/836042025.db2.gz APASKFXOBNYYPC-UHFFFAOYSA-N 0 3 393.447 3.772 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000411132014 836064628 /nfs/dbraw/zinc/06/46/28/836064628.db2.gz KJANBXCXZBZEEA-GOSISDBHSA-N 0 3 387.411 3.908 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000043126930 836244630 /nfs/dbraw/zinc/24/46/30/836244630.db2.gz RJHOGHNPHVZWNF-OAHLLOKOSA-N 0 3 390.465 3.624 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000065940266 836278848 /nfs/dbraw/zinc/27/88/48/836278848.db2.gz OIROXJFHRUPOGE-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CCc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471423850 837851432 /nfs/dbraw/zinc/85/14/32/837851432.db2.gz KDTMGQRPPQGWDJ-KRWDZBQOSA-N 0 3 381.476 3.894 20 5 GHBDHN CCOc1ccc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000129051784 844302442 /nfs/dbraw/zinc/30/24/42/844302442.db2.gz MNTPTGBXPIWFTJ-UHFFFAOYSA-N 0 3 397.475 3.730 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccc3OCc3cccnc3)CC2)n1 ZINC000376651666 838602851 /nfs/dbraw/zinc/60/28/51/838602851.db2.gz MPQDUXJKUSTFDW-UHFFFAOYSA-N 0 3 393.447 3.602 20 5 GHBDHN COc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000104705388 838900333 /nfs/dbraw/zinc/90/03/33/838900333.db2.gz TYQUUHIYNNKTTL-HXUWFJFHSA-N 0 3 387.411 3.812 20 5 GHBDHN CC(C)COC[C@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236633227 838914782 /nfs/dbraw/zinc/91/47/82/838914782.db2.gz PFKDFGKGNVETAM-CQSZACIVSA-N 0 3 382.844 3.631 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)cc1 ZINC000109892671 839475295 /nfs/dbraw/zinc/47/52/95/839475295.db2.gz XOXLWTQXSRVXRT-FQEVSTJZSA-N 0 3 380.448 3.671 20 5 GHBDHN COc1ccc([C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000122391751 839497793 /nfs/dbraw/zinc/49/77/93/839497793.db2.gz VVBSBJQQESYLGO-VGZTZGLTSA-N 0 3 395.459 3.570 20 5 GHBDHN COc1cc(CN[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000584683329 840543536 /nfs/dbraw/zinc/54/35/36/840543536.db2.gz IRYVHMAQPLECLH-LPHOPBHVSA-N 0 3 393.846 3.931 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000047345280 840766813 /nfs/dbraw/zinc/76/68/13/840766813.db2.gz JBLPYMZOCSTLJD-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000045623210 841728595 /nfs/dbraw/zinc/72/85/95/841728595.db2.gz ARFIWHWYZVKCRN-QGZVFWFLSA-N 0 3 376.482 3.539 20 5 GHBDHN CC1(C)COCCN1CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000477230777 841926106 /nfs/dbraw/zinc/92/61/06/841926106.db2.gz DJZOTQBECUZODF-UHFFFAOYSA-N 0 3 393.871 3.709 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CN1Cc1ccccc1 ZINC000157929146 842173156 /nfs/dbraw/zinc/17/31/56/842173156.db2.gz MXRFLNOABZFOGM-NVXWUHKLSA-N 0 3 390.443 3.536 20 5 GHBDHN C[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000512128304 842587588 /nfs/dbraw/zinc/58/75/88/842587588.db2.gz PRDOXMDYPCFWSV-OAHLLOKOSA-N 0 3 380.448 3.719 20 5 GHBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600228971 861350009 /nfs/dbraw/zinc/35/00/09/861350009.db2.gz ILPKQJRHNNMQRM-CQSZACIVSA-N 0 3 385.386 3.750 20 5 GHBDHN COc1c(O)ccc(CN(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566321 843116670 /nfs/dbraw/zinc/11/66/70/843116670.db2.gz ARSKFARMCFYJPH-SJLPKXTDSA-N 0 3 390.411 3.800 20 5 GHBDHN COc1c([O-])ccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566321 843116673 /nfs/dbraw/zinc/11/66/73/843116673.db2.gz ARSKFARMCFYJPH-SJLPKXTDSA-N 0 3 390.411 3.800 20 5 GHBDHN COc1c([O-])ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566321 843116680 /nfs/dbraw/zinc/11/66/80/843116680.db2.gz ARSKFARMCFYJPH-SJLPKXTDSA-N 0 3 390.411 3.800 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(Cc3nc(C4CCC4)no3)CC2)c1 ZINC000599640344 861437802 /nfs/dbraw/zinc/43/78/02/861437802.db2.gz CXMXHERVHKIKGS-UHFFFAOYSA-N 0 3 386.452 3.579 20 5 GHBDHN COc1cc(CN2CCCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000512481033 843966972 /nfs/dbraw/zinc/96/69/72/843966972.db2.gz RPHMZBRRUQOFAC-GXTWGEPZSA-N 0 3 388.411 3.720 20 5 GHBDHN Cc1c([C@H](C)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000119494963 845400706 /nfs/dbraw/zinc/40/07/06/845400706.db2.gz QELOYQHCNRRQGI-PKOBYXMFSA-N 0 3 381.476 3.788 20 5 GHBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1OCc1ccccc1 ZINC000472044878 845566359 /nfs/dbraw/zinc/56/63/59/845566359.db2.gz PHDYOTITVVAARS-WOJBJXKFSA-N 0 3 398.459 3.935 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H](C)[C@@H]2CCCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000502664636 846326232 /nfs/dbraw/zinc/32/62/32/846326232.db2.gz QUTVTPGXDNUIDO-YRISNDGFSA-N 0 3 397.475 3.988 20 5 GHBDHN COc1cc(CN[C@H]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000582180737 846591640 /nfs/dbraw/zinc/59/16/40/846591640.db2.gz NWTTYTAWKFGTAV-RYUDHWBXSA-N 0 3 380.338 3.915 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000478450716 847082351 /nfs/dbraw/zinc/08/23/51/847082351.db2.gz WSGSOVNGXYIQDX-FQEVSTJZSA-N 0 3 384.480 3.568 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000127773921 847445317 /nfs/dbraw/zinc/44/53/17/847445317.db2.gz HUJAGUWOMVYMNE-UHFFFAOYSA-N 0 3 388.443 3.946 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000439880687 850539428 /nfs/dbraw/zinc/53/94/28/850539428.db2.gz SZTAVGCOYKGKAZ-UHFFFAOYSA-N 0 3 386.452 3.589 20 5 GHBDHN CCN1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000426615889 850959350 /nfs/dbraw/zinc/95/93/50/850959350.db2.gz OVVMKGQRIBUAKT-UHFFFAOYSA-N 0 3 385.489 3.914 20 5 GHBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436155651 851269311 /nfs/dbraw/zinc/26/93/11/851269311.db2.gz SHQUPAXYBQUUPC-INIZCTEOSA-N 0 3 391.515 3.922 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)c1 ZINC000436725435 852228447 /nfs/dbraw/zinc/22/84/47/852228447.db2.gz QTLLPVOLYNSWMP-OAHLLOKOSA-N 0 3 385.489 3.840 20 5 GHBDHN CN1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000489931088 852652545 /nfs/dbraw/zinc/65/25/45/852652545.db2.gz PMTSYQQZMRRTAU-PKOBYXMFSA-N 0 3 382.464 3.575 20 5 GHBDHN CC(C)N1CCC[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000427189159 852837431 /nfs/dbraw/zinc/83/74/31/852837431.db2.gz JFFJBSDPQMLDHG-SFHVURJKSA-N 0 3 397.475 3.776 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000516654679 852844942 /nfs/dbraw/zinc/84/49/42/852844942.db2.gz RCDOQTQDPYUPJY-OAQYLSRUSA-N 0 3 382.464 3.998 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000427361989 853028555 /nfs/dbraw/zinc/02/85/55/853028555.db2.gz ZVILOXKOXDOSJX-UHFFFAOYSA-N 0 3 389.883 3.771 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000061733067 862424011 /nfs/dbraw/zinc/42/40/11/862424011.db2.gz AIJFTYHABRNMSQ-IBGZPJMESA-N 0 3 398.463 3.870 20 5 GHBDHN COC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000516919233 853157671 /nfs/dbraw/zinc/15/76/71/853157671.db2.gz DVGXPVVXMJEVCD-UGSOOPFHSA-N 0 3 391.855 3.943 20 5 GHBDHN Cc1ccc(OC(F)F)c(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000572112442 854396604 /nfs/dbraw/zinc/39/66/04/854396604.db2.gz JLWQIZPBOQBJJL-UHFFFAOYSA-N 0 3 379.363 3.623 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000458886724 854448039 /nfs/dbraw/zinc/44/80/39/854448039.db2.gz HQDDHXFZHWIWJD-KRWDZBQOSA-N 0 3 384.480 3.738 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C[C@@H](C)O1 ZINC000301549926 855237904 /nfs/dbraw/zinc/23/79/04/855237904.db2.gz MAKFMXUUBKSGAT-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000733105888 862721393 /nfs/dbraw/zinc/72/13/93/862721393.db2.gz WMZYNDKBDACIMV-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(CC)CC ZINC000482151932 862746205 /nfs/dbraw/zinc/74/62/05/862746205.db2.gz VBRCJFCPULAZAQ-CVEARBPZSA-N 0 3 383.876 3.760 20 5 GHBDHN CN1C(=O)C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000507847280 856556404 /nfs/dbraw/zinc/55/64/04/856556404.db2.gz MFDWQAVGUYSEQV-CXKYAALTSA-N 0 3 385.851 3.823 20 5 GHBDHN CCCN(CCc1cccc(F)c1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000733302189 862846905 /nfs/dbraw/zinc/84/69/05/862846905.db2.gz ZPBRLLSLWYLHOD-UHFFFAOYSA-N 0 3 383.427 3.905 20 5 GHBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000173330428 856858446 /nfs/dbraw/zinc/85/84/46/856858446.db2.gz HGUJITFBBKXKTE-HUUCEWRRSA-N 0 3 383.448 3.664 20 5 GHBDHN CCCN(CCc1cccc(F)c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733301380 862846823 /nfs/dbraw/zinc/84/68/23/862846823.db2.gz PKINPVGWAXDGAD-UHFFFAOYSA-N 0 3 383.427 3.905 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000595013326 858350077 /nfs/dbraw/zinc/35/00/77/858350077.db2.gz HCVYRZLYGLBGGQ-QWHCGFSZSA-N 0 3 376.844 3.581 20 5 GHBDHN COc1cc(OC)c(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c(OC)c1 ZINC000595020998 858354259 /nfs/dbraw/zinc/35/42/59/858354259.db2.gz WHQUCZNTQSLKBH-ZDUSSCGKSA-N 0 3 390.436 3.523 20 5 GHBDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000594990536 858359927 /nfs/dbraw/zinc/35/99/27/858359927.db2.gz ZUDXLQAILCAHJM-IAGOWNOFSA-N 0 3 376.453 3.677 20 5 GHBDHN COc1cccc(CN(CCN(C)C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000482390274 863026009 /nfs/dbraw/zinc/02/60/09/863026009.db2.gz RGSRBDPSKKHUJX-UHFFFAOYSA-N 0 3 399.491 3.931 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)nccc2NCC1CCN(Cc2ccncc2)CC1 ZINC000596436011 858896660 /nfs/dbraw/zinc/89/66/60/858896660.db2.gz HGQIHPNHCBPSJF-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC(O)(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170330060 881370372 /nfs/dbraw/zinc/37/03/72/881370372.db2.gz XNFKTBKIGYGZGH-KRWDZBQOSA-N 0 3 384.476 3.604 20 5 GHBDHN CN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cccnc34)cc2)CC1 ZINC000301926401 859034856 /nfs/dbraw/zinc/03/48/56/859034856.db2.gz JMCVLZWEKVTVSE-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@@H](Oc3ncccc3C)C2)c([N+](=O)[O-])c1 ZINC001170354864 881396011 /nfs/dbraw/zinc/39/60/11/881396011.db2.gz QUCFMQASBLUVBM-QFBILLFUSA-N 0 3 385.464 3.781 20 5 GHBDHN C[C@@H](O)C1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000597233877 859367536 /nfs/dbraw/zinc/36/75/36/859367536.db2.gz BTCVDGXEXWDTNW-SNVBAGLBSA-N 0 3 381.226 3.620 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000601619432 859379416 /nfs/dbraw/zinc/37/94/16/859379416.db2.gz CSJLDMYNNMDFSD-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000611337126 859711816 /nfs/dbraw/zinc/71/18/16/859711816.db2.gz UVWQSKXIIZVKCM-DOTOQJQBSA-N 0 3 391.537 3.989 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4CCN(C)C[C@@H]43)c([N+](=O)[O-])c2)cc1 ZINC000611510240 859790876 /nfs/dbraw/zinc/79/08/76/859790876.db2.gz QMYBMVKOHNWESV-KKSFZXQISA-N 0 3 394.475 3.686 20 5 GHBDHN NC(=O)CC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000092659901 860100038 /nfs/dbraw/zinc/10/00/38/860100038.db2.gz UYFJDCHYJVZIKY-CYBMUJFWSA-N 0 3 391.855 3.986 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3csc(-c4ccccc4)n3)CC2)cn1 ZINC000602536897 860104700 /nfs/dbraw/zinc/10/47/00/860104700.db2.gz XWLXNPQMFKOJHP-UHFFFAOYSA-N 0 3 395.488 3.872 20 5 GHBDHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092707701 860108863 /nfs/dbraw/zinc/10/88/63/860108863.db2.gz SHNGOGBFJIVVKL-MRXNPFEDSA-N 0 3 385.464 3.983 20 5 GHBDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092706235 860109097 /nfs/dbraw/zinc/10/90/97/860109097.db2.gz PTPJXZWQHVPRGU-INIZCTEOSA-N 0 3 385.464 3.839 20 5 GHBDHN O=[N+]([O-])c1ccn(CCN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000155816872 860611475 /nfs/dbraw/zinc/61/14/75/860611475.db2.gz NMGQSEBHLKETAJ-UHFFFAOYSA-N 0 3 399.278 3.779 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@H](O)[C@@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000598986487 860700911 /nfs/dbraw/zinc/70/09/11/860700911.db2.gz BCGDKSRBYFTMEV-LPHOPBHVSA-N 0 3 392.839 3.670 20 5 GHBDHN O=c1ccc([C@@H]2OCC[C@H]2NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c[nH]1 ZINC000599002292 860719943 /nfs/dbraw/zinc/71/99/43/860719943.db2.gz JSVAYPZQNFAVPM-UZLBHIALSA-N 0 3 381.388 3.575 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000054227974 860763870 /nfs/dbraw/zinc/76/38/70/860763870.db2.gz MDKUBBPKYDDEFT-YOEHRIQHSA-N 0 3 378.432 3.641 20 5 GHBDHN CC(C)(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000599083079 860785673 /nfs/dbraw/zinc/78/56/73/860785673.db2.gz OHJZBMKCYJEESN-FQEVSTJZSA-N 0 3 381.476 3.922 20 5 GHBDHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000599184061 860887419 /nfs/dbraw/zinc/88/74/19/860887419.db2.gz XJXPJHSERTWOCE-UHFFFAOYSA-N 0 3 391.512 3.853 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000554634278 864636561 /nfs/dbraw/zinc/63/65/61/864636561.db2.gz SRIMVIOEWQIBCK-SUMWQHHRSA-N 0 3 391.443 3.850 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063485914 864845693 /nfs/dbraw/zinc/84/56/93/864845693.db2.gz FJBJGBCHUKGSOS-UHFFFAOYSA-N 0 3 389.883 3.885 20 5 GHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000063732806 865251132 /nfs/dbraw/zinc/25/11/32/865251132.db2.gz VQHAUWSKNJMUHU-HNNXBMFYSA-N 0 3 399.447 3.610 20 5 GHBDHN Cc1ccccc1[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000183200713 866329339 /nfs/dbraw/zinc/32/93/39/866329339.db2.gz MONYROJWDXUBFP-FQEVSTJZSA-N 0 3 385.420 3.557 20 5 GHBDHN C[C@@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1Cc1ccccc1 ZINC000534248132 866368287 /nfs/dbraw/zinc/36/82/87/866368287.db2.gz ORKLYCFFDFBTKE-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1CN(C)C ZINC000552950459 866521018 /nfs/dbraw/zinc/52/10/18/866521018.db2.gz QWHAIBIPJNTCCV-GFCCVEGCSA-N 0 3 377.828 3.716 20 5 GHBDHN C[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000523705099 867782295 /nfs/dbraw/zinc/78/22/95/867782295.db2.gz AIFIBUJVDMFFOG-OXJNMPFZSA-N 0 3 382.464 3.620 20 5 GHBDHN Cc1ccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000553694869 867918516 /nfs/dbraw/zinc/91/85/16/867918516.db2.gz OAMVWPMEKWSJNO-FQEVSTJZSA-N 0 3 385.464 3.723 20 5 GHBDHN COC(=O)c1cc(NC[C@H](c2cccc(F)c2)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000440725698 868287376 /nfs/dbraw/zinc/28/73/76/868287376.db2.gz KWTKVLRLMDPLSZ-QGZVFWFLSA-N 0 3 375.400 3.544 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475635912 869054208 /nfs/dbraw/zinc/05/42/08/869054208.db2.gz DNUSNNMASQLNBZ-SFHVURJKSA-N 0 3 382.464 3.950 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000462439150 869432633 /nfs/dbraw/zinc/43/26/33/869432633.db2.gz YMPRLOJCZOJIED-HXUWFJFHSA-N 0 3 383.492 3.754 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000462904751 870347756 /nfs/dbraw/zinc/34/77/56/870347756.db2.gz BJALXJVDLMWAJC-ZDUSSCGKSA-N 0 3 395.381 3.951 20 5 GHBDHN CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746397462 870606651 /nfs/dbraw/zinc/60/66/51/870606651.db2.gz LYHZLWDQGYWESP-LJQANCHMSA-N 0 3 384.505 3.888 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765310 870844118 /nfs/dbraw/zinc/84/41/18/870844118.db2.gz PWSJLVRIJXIDDJ-LAUBAEHRSA-N 0 3 383.492 3.971 20 5 GHBDHN Cc1c([C@H](C)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000539046563 871221860 /nfs/dbraw/zinc/22/18/60/871221860.db2.gz JBOSMCVNCXSAGH-CYFODOTGSA-N 0 3 389.402 3.804 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000540589412 871691176 /nfs/dbraw/zinc/69/11/76/871691176.db2.gz VVJWIPCOGYJSTJ-XOBRGWDASA-N 0 3 383.448 3.980 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462156641 871708081 /nfs/dbraw/zinc/70/80/81/871708081.db2.gz DHUSXKYDNKLTBD-JXFKEZNVSA-N 0 3 381.476 3.509 20 5 GHBDHN CCC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000539327041 871745192 /nfs/dbraw/zinc/74/51/92/871745192.db2.gz RONNRYIVHLVLKD-HNAYVOBHSA-N 0 3 380.391 3.744 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552058284 871952600 /nfs/dbraw/zinc/95/26/00/871952600.db2.gz ALKQOOYAMWNMTQ-GIOGAUJUSA-N 0 3 397.475 3.863 20 5 GHBDHN Cc1ccc([C@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000552247463 872264499 /nfs/dbraw/zinc/26/44/99/872264499.db2.gz PXUVSEACUFQCPR-SFTDATJTSA-N 0 3 393.491 3.619 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000478359008 872896117 /nfs/dbraw/zinc/89/61/17/872896117.db2.gz VAXYCJIFYAKLSG-ZDUSSCGKSA-N 0 3 386.345 3.694 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000775692759 872947949 /nfs/dbraw/zinc/94/79/49/872947949.db2.gz FLMMHLSNPBJKQP-XJKSGUPXSA-N 0 3 381.448 3.907 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448253748 873098351 /nfs/dbraw/zinc/09/83/51/873098351.db2.gz BVTHHRHDMJFNCN-SFHVURJKSA-N 0 3 376.501 3.635 20 5 GHBDHN Cc1c(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc2nc(C)nc(C)c12 ZINC000769463219 874087431 /nfs/dbraw/zinc/08/74/31/874087431.db2.gz OMIHNVFNOXHDRT-CQSZACIVSA-N 0 3 398.492 3.606 20 5 GHBDHN O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000921275006 882796699 /nfs/dbraw/zinc/79/66/99/882796699.db2.gz ZMUNFBMOPYWQKO-LJQANCHMSA-N 0 3 384.505 3.936 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541783339 874256084 /nfs/dbraw/zinc/25/60/84/874256084.db2.gz DVUVNXIVYBZFTR-OAHLLOKOSA-N 0 3 386.427 3.862 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000449299542 874687064 /nfs/dbraw/zinc/68/70/64/874687064.db2.gz NGMSGVSHUVZCIW-IUODEOHRSA-N 0 3 384.354 3.748 20 5 GHBDHN C[C@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1Cc1ccccc1 ZINC000464902244 874713794 /nfs/dbraw/zinc/71/37/94/874713794.db2.gz QZYRHAHLHGTYCZ-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN COc1ccc(OCCN2CCC[C@@H]2c2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000441367333 875356213 /nfs/dbraw/zinc/35/62/13/875356213.db2.gz HGFJWALLSORFTN-LJQANCHMSA-N 0 3 385.464 3.885 20 5 GHBDHN Cc1ccc(CNC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001200902961 875410999 /nfs/dbraw/zinc/41/09/99/875410999.db2.gz YTQZQYOJNYVTSH-PBHICJAKSA-N 0 3 393.484 3.753 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000179639095 877810643 /nfs/dbraw/zinc/81/06/43/877810643.db2.gz RZAOFBPWOPYNOA-INIZCTEOSA-N 0 3 393.390 3.951 20 5 GHBDHN CC(C)[C@@H](CO)[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000451599240 878227563 /nfs/dbraw/zinc/22/75/63/878227563.db2.gz PVCJEFLCIUYAHP-XKQJLSEDSA-N 0 3 376.457 3.585 20 5 GHBDHN C[C@H]1Cc2ccccc2N1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586594 878263087 /nfs/dbraw/zinc/26/30/87/878263087.db2.gz GFGWSLCRCKTTEY-AOMKIAJQSA-N 0 3 381.476 3.544 20 5 GHBDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000852351497 878271172 /nfs/dbraw/zinc/27/11/72/878271172.db2.gz PECIOZUHJMRMJQ-WDBKCZKBSA-N 0 3 377.268 3.557 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000776591604 878298702 /nfs/dbraw/zinc/29/87/02/878298702.db2.gz KZUHRXFQAIBJDH-LEWJYISDSA-N 0 3 398.484 3.926 20 5 GHBDHN CC(C)[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731514 878561378 /nfs/dbraw/zinc/56/13/78/878561378.db2.gz XTWHFIKWOQKING-OALUTQOASA-N 0 3 388.855 3.972 20 5 GHBDHN COc1cccc(CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)c1 ZINC000520059439 879382243 /nfs/dbraw/zinc/38/22/43/879382243.db2.gz XMQORVJWFKDOCB-OAQYLSRUSA-N 0 3 386.448 3.663 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC[C@@H]3CCOC3)o2)c(Cl)c1 ZINC000068995314 879387371 /nfs/dbraw/zinc/38/73/71/879387371.db2.gz XODFDOPNTUFYJQ-CYBMUJFWSA-N 0 3 380.828 3.651 20 5 GHBDHN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000531302126 879548480 /nfs/dbraw/zinc/54/84/80/879548480.db2.gz PVTLVJWSMPKCQZ-GOSISDBHSA-N 0 3 392.459 3.813 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000854513330 879871906 /nfs/dbraw/zinc/87/19/06/879871906.db2.gz NAVIOSSSVBFRSK-WIYYLYMNSA-N 0 3 390.443 3.833 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494068251 879890180 /nfs/dbraw/zinc/89/01/80/879890180.db2.gz GAKIFHPOTNRHRS-HKUYNNGSSA-N 0 3 381.476 3.913 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](N[C@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000543702996 880126658 /nfs/dbraw/zinc/12/66/58/880126658.db2.gz IQFQBBRLJBOLSB-FUHWJXTLSA-N 0 3 379.382 3.910 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001183501528 912597332 /nfs/dbraw/zinc/59/73/32/912597332.db2.gz XMORCWMBKOSDLW-UZLBHIALSA-N 0 3 393.447 3.540 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000499101353 881102926 /nfs/dbraw/zinc/10/29/26/881102926.db2.gz NZUMGUYTXXXPKO-YQQAZPJKSA-N 0 3 388.468 3.986 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000609441639 883193584 /nfs/dbraw/zinc/19/35/84/883193584.db2.gz UBNRSTLVHPECNA-LJQANCHMSA-N 0 3 389.427 3.555 20 5 GHBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000609639529 883465435 /nfs/dbraw/zinc/46/54/35/883465435.db2.gz CTCQTBASBBDOEI-FQEVSTJZSA-N 0 3 382.464 3.621 20 5 GHBDHN COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001183778920 912784453 /nfs/dbraw/zinc/78/44/53/912784453.db2.gz CUJUAWROZDWBOA-UONOGXRCSA-N 0 3 387.436 3.680 20 5 GHBDHN CC[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000914703923 884556782 /nfs/dbraw/zinc/55/67/82/884556782.db2.gz KJMDIGXYCXKCGK-GOSISDBHSA-N 0 3 384.505 3.718 20 5 GHBDHN O=C1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H](C2CC2)N1 ZINC000556403955 884794990 /nfs/dbraw/zinc/79/49/90/884794990.db2.gz LSZAKLQXUMQIHR-UTKZUKDTSA-N 0 3 399.422 3.673 20 5 GHBDHN O=C1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H](C2CC2)N1 ZINC000556403957 884795914 /nfs/dbraw/zinc/79/59/14/884795914.db2.gz LSZAKLQXUMQIHR-UWJYYQICSA-N 0 3 399.422 3.673 20 5 GHBDHN COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000193344987 885656791 /nfs/dbraw/zinc/65/67/91/885656791.db2.gz FQCXOFFANSESQY-IBGZPJMESA-N 0 3 389.839 3.936 20 5 GHBDHN CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000762207727 885697273 /nfs/dbraw/zinc/69/72/73/885697273.db2.gz RWPBDCVJCWFZNX-INIZCTEOSA-N 0 3 388.855 3.986 20 5 GHBDHN CN(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)Cc1ccccc1 ZINC000809913094 887935800 /nfs/dbraw/zinc/93/58/00/887935800.db2.gz VGVKECSVCJFKAZ-AWEZNQCLSA-N 0 3 376.844 3.543 20 5 GHBDHN C[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000865783895 888570570 /nfs/dbraw/zinc/57/05/70/888570570.db2.gz UCBJZEGKWSDBQT-GFCCVEGCSA-N 0 3 382.869 3.545 20 5 GHBDHN CN(CCCc1cc(-c2ccccc2)no1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153879941 888797857 /nfs/dbraw/zinc/79/78/57/888797857.db2.gz FXUAKOBNCLGXRT-OAQYLSRUSA-N 0 3 381.432 3.848 20 5 GHBDHN Cc1cc(=O)oc2cc(OCCN(C)CCc3ccccc3[N+](=O)[O-])ccc12 ZINC000796115390 913293147 /nfs/dbraw/zinc/29/31/47/913293147.db2.gz ZWWXFEYLMNZPBH-UHFFFAOYSA-N 0 3 382.416 3.563 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000533047597 889615067 /nfs/dbraw/zinc/61/50/67/889615067.db2.gz NPNZBFGERDBFHZ-UHFFFAOYSA-N 0 3 393.447 3.638 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533292319 890207136 /nfs/dbraw/zinc/20/71/36/890207136.db2.gz DULXGNSHELGIBC-FSPWUOQZSA-N 0 3 395.887 3.712 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000126639211 890625530 /nfs/dbraw/zinc/62/55/30/890625530.db2.gz HAXCFVHOSWMKGT-GFCCVEGCSA-N 0 3 377.828 3.764 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)N(C)C)cc1 ZINC000825596029 891235268 /nfs/dbraw/zinc/23/52/68/891235268.db2.gz VWKAOWTWFONKCZ-GOSISDBHSA-N 0 3 375.856 3.898 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000813823136 891995644 /nfs/dbraw/zinc/99/56/44/891995644.db2.gz FWAZWRNGAONLOM-HTKCERMJSA-N 0 3 379.460 3.777 20 5 GHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H](c1ccccc1)N1CCCC1 ZINC000497693083 892171597 /nfs/dbraw/zinc/17/15/97/892171597.db2.gz ZGTAAIPHVPIVMK-OAQYLSRUSA-N 0 3 392.459 3.503 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000064236902 892434805 /nfs/dbraw/zinc/43/48/05/892434805.db2.gz FYPLENWMPOIFSA-FQEVSTJZSA-N 0 3 382.464 3.540 20 5 GHBDHN COc1ccc([C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000217107940 893013138 /nfs/dbraw/zinc/01/31/38/893013138.db2.gz ZUEKBHJAGDUERA-IBGZPJMESA-N 0 3 389.839 3.936 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459538863 893811540 /nfs/dbraw/zinc/81/15/40/893811540.db2.gz CCSWHXGZIAFXDN-UHFFFAOYSA-N 0 3 392.481 3.651 20 5 GHBDHN Cc1c([C@H](C)NCCOc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000537166740 894476684 /nfs/dbraw/zinc/47/66/84/894476684.db2.gz ACOQWOPDQKGKFE-AWEZNQCLSA-N 0 3 384.411 3.958 20 5 GHBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000880102109 895514476 /nfs/dbraw/zinc/51/44/76/895514476.db2.gz SSXRZYSQQVFDGF-NSHDSACASA-N 0 3 382.342 3.688 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000565797334 895886853 /nfs/dbraw/zinc/88/68/53/895886853.db2.gz OXVJXOKUGBTFBV-IBGZPJMESA-N 0 3 387.505 3.668 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000565797335 895887287 /nfs/dbraw/zinc/88/72/87/895887287.db2.gz OXVJXOKUGBTFBV-LJQANCHMSA-N 0 3 387.505 3.668 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000565883743 895956596 /nfs/dbraw/zinc/95/65/96/895956596.db2.gz DBQNLKNMZLYSRI-OAHLLOKOSA-N 0 3 387.455 3.648 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2ccccc2OC(C)(C)C1 ZINC000567080422 896857604 /nfs/dbraw/zinc/85/76/04/896857604.db2.gz LYJDGKBZKPHQDO-UHFFFAOYSA-N 0 3 399.447 3.605 20 5 GHBDHN CN1CCN(C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000567676724 897331461 /nfs/dbraw/zinc/33/14/61/897331461.db2.gz OSSVCEGZGLKDRT-GOTSBHOMSA-N 0 3 394.519 3.551 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC4(CCC4)[C@H]3[C@H]3CCCO3)o2)c1 ZINC000289624936 914268411 /nfs/dbraw/zinc/26/84/11/914268411.db2.gz RPCYXOVKLWUCSJ-YLJYHZDGSA-N 0 3 383.448 3.826 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCCc2sc(Cl)cc21 ZINC000569450281 898677651 /nfs/dbraw/zinc/67/76/51/898677651.db2.gz XXMQYJUSFDMURK-AAEUAGOBSA-N 0 3 382.869 3.717 20 5 GHBDHN C[C@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001137043280 900191135 /nfs/dbraw/zinc/19/11/35/900191135.db2.gz PMWIQDPKTRSHSS-KRWDZBQOSA-N 0 3 399.466 3.790 20 5 GHBDHN CCCN(Cc1cccnc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000886060049 900697811 /nfs/dbraw/zinc/69/78/11/900697811.db2.gz SLDRIKZXSNPVQG-UHFFFAOYSA-N 0 3 382.464 3.507 20 5 GHBDHN CN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c4cnccc34)cc2)CC1 ZINC000047272516 901707682 /nfs/dbraw/zinc/70/76/82/901707682.db2.gz YLCVCTTZETXMHI-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCN(CC2CCC2)CC1 ZINC000576207355 901815503 /nfs/dbraw/zinc/81/55/03/901815503.db2.gz PQOXHZVTHVMNOG-UHFFFAOYSA-N 0 3 389.499 3.629 20 5 GHBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000576975185 902398447 /nfs/dbraw/zinc/39/84/47/902398447.db2.gz MQSADVJJRDPYKY-QGZVFWFLSA-N 0 3 375.473 3.622 20 5 GHBDHN CCOc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845872778 902473926 /nfs/dbraw/zinc/47/39/26/902473926.db2.gz OBMKOCFCDIKBRC-APPDUMDISA-N 0 3 392.339 3.696 20 5 GHBDHN CCOC(=O)Nc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872370 902473995 /nfs/dbraw/zinc/47/39/95/902473995.db2.gz HOQXYMBKVZAERR-SJCJKPOMSA-N 0 3 390.367 3.957 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)CC1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874403 902477924 /nfs/dbraw/zinc/47/79/24/902477924.db2.gz IEIZQYWMNGIASS-CKFHNAJUSA-N 0 3 394.443 3.550 20 5 GHBDHN COc1ccc2c(c1)C=C(C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])CO2 ZINC000845876608 902481160 /nfs/dbraw/zinc/48/11/60/902481160.db2.gz NDKNEDYXHWZTHB-CWTRNNRKSA-N 0 3 387.363 3.560 20 5 GHBDHN CCOC(=O)C1CCC(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845881339 902485498 /nfs/dbraw/zinc/48/54/98/902485498.db2.gz LVEOBKJKXLKKOR-BEFRKJEDSA-N 0 3 395.427 3.835 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)OCCc1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845883256 902486276 /nfs/dbraw/zinc/48/62/76/902486276.db2.gz RDVGFXBGNWDUQT-ZRGWGRIASA-N 0 3 375.396 3.723 20 5 GHBDHN Cc1nn(C(C)C)c(C)c1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883354 902486778 /nfs/dbraw/zinc/48/67/78/902486778.db2.gz SNUFHYMWIIBLSV-IFXJQAMLSA-N 0 3 377.416 3.712 20 5 GHBDHN CC([C@@H](OC(=O)c1cccc2c1OCCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882340 902486880 /nfs/dbraw/zinc/48/68/80/902486880.db2.gz SSCPGKJTDPZEAG-YVEFUNNKSA-N 0 3 375.352 3.550 20 5 GHBDHN Cc1c(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000845884081 902489541 /nfs/dbraw/zinc/48/95/41/902489541.db2.gz XGUGOUREHGWELV-SGTLLEGYSA-N 0 3 376.340 3.535 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000846050421 902637442 /nfs/dbraw/zinc/63/74/42/902637442.db2.gz NOKNQUDBKTURQS-UHFFFAOYSA-N 0 3 398.507 3.532 20 5 GHBDHN COCC[C@@H]1CO[C@]2(C1)CCCN([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172909000 905952748 /nfs/dbraw/zinc/95/27/48/905952748.db2.gz QHKJDJXPCQCSPW-XJABCFGWSA-N 0 3 388.508 3.750 20 5 GHBDHN CC(=O)c1ccc(N2CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172915548 905988411 /nfs/dbraw/zinc/98/84/11/905988411.db2.gz OXMXJFOKBPCGBN-JOCHJYFZSA-N 0 3 393.487 3.867 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(c3ccc(Cl)cn3)CC1)CC2 ZINC001172918929 905990526 /nfs/dbraw/zinc/99/05/26/905990526.db2.gz DIFBIHJROZWRNJ-SFHVURJKSA-N 0 3 386.883 3.713 20 5 GHBDHN CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177603779 906177979 /nfs/dbraw/zinc/17/79/79/906177979.db2.gz SIAHAWMGTUNDIX-IFXJQAMLSA-N 0 3 391.493 3.647 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccc(Br)cn2)c1F ZINC001173177238 906255622 /nfs/dbraw/zinc/25/56/22/906255622.db2.gz RYHBPVNRDFUMCQ-JTQLQIEISA-N 0 3 398.232 3.621 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](c2ncccc2OC)C2CC2)c1F ZINC001173181425 906260985 /nfs/dbraw/zinc/26/09/85/906260985.db2.gz VPQKUZJLFLJQED-HXPMCKFVSA-N 0 3 389.427 3.818 20 5 GHBDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])CCO2 ZINC001173184248 906266194 /nfs/dbraw/zinc/26/61/94/906266194.db2.gz PFXHMALKUUFMNQ-LRDDRELGSA-N 0 3 390.411 3.796 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CCOc3cc(F)ccc32)c1F ZINC001173184290 906266791 /nfs/dbraw/zinc/26/67/91/906266791.db2.gz PQOVPKMHKKNOLG-ABAIWWIYSA-N 0 3 378.375 3.926 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001173220806 906298540 /nfs/dbraw/zinc/29/85/40/906298540.db2.gz CQVAGGIKBITGJB-CVEARBPZSA-N 0 3 377.485 3.715 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001173224243 906304920 /nfs/dbraw/zinc/30/49/20/906304920.db2.gz DCSHAOZTIHYRRF-YJBOKZPZSA-N 0 3 377.485 3.905 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001173234461 906321969 /nfs/dbraw/zinc/32/19/69/906321969.db2.gz RQXWPGZHLMDAJI-INMHGKMJSA-N 0 3 377.485 3.903 20 5 GHBDHN CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178686058 906372516 /nfs/dbraw/zinc/37/25/16/906372516.db2.gz YDQGVNQYEHDAPF-UONOGXRCSA-N 0 3 377.466 3.768 20 5 GHBDHN COC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000193667684 908614745 /nfs/dbraw/zinc/61/47/45/908614745.db2.gz ZAIVLXMYIPEYJE-MRXNPFEDSA-N 0 3 380.828 3.613 20 5 GHBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C(C)(C)C1 ZINC001178861399 909289522 /nfs/dbraw/zinc/28/95/22/909289522.db2.gz XCZKMVODCURLGL-HXUWFJFHSA-N 0 3 396.491 3.667 20 5 GHBDHN CCSC1(CNCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001179222744 909420520 /nfs/dbraw/zinc/42/05/20/909420520.db2.gz PKTJUBGLMANFLM-UHFFFAOYSA-N 0 3 394.415 3.920 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC001180574504 910221809 /nfs/dbraw/zinc/22/18/09/910221809.db2.gz VWXPOKFAFDUQST-UHFFFAOYSA-N 0 3 381.476 3.740 20 5 GHBDHN CCOC(=O)[C@](C)(CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001180933880 910435959 /nfs/dbraw/zinc/43/59/59/910435959.db2.gz CZQCXILWAOKCCH-LJQANCHMSA-N 0 3 376.840 3.859 20 5 GHBDHN COc1cccc([C@H]2[C@H](NCc3cc(F)ccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000801958347 921686890 /nfs/dbraw/zinc/68/68/90/921686890.db2.gz CXELMWXVDJYIEI-CTNGQTDRSA-N 0 3 385.439 3.810 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001186923438 914905191 /nfs/dbraw/zinc/90/51/91/914905191.db2.gz VVIPIJJGOBLMAM-PMACEKPBSA-N 0 3 387.867 3.728 20 5 GHBDHN O=C(CN[C@@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775422664 917694915 /nfs/dbraw/zinc/69/49/15/917694915.db2.gz YDZZMMZOKSMCGB-LIRRHRJNSA-N 0 3 389.839 3.554 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297492879 919375180 /nfs/dbraw/zinc/37/51/80/919375180.db2.gz FPIRZBRRUOKPEZ-KRWDZBQOSA-N 0 3 396.491 3.962 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000119997228 919675339 /nfs/dbraw/zinc/67/53/39/919675339.db2.gz RJJLHEOVOOIXRU-KDOFPFPSSA-N 0 3 385.489 3.567 20 5 GHBDHN COc1ccc(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC2CC2)c(OC)c1 ZINC000800501702 920196073 /nfs/dbraw/zinc/19/60/73/920196073.db2.gz XYPNLUDEIXPUNN-FQEVSTJZSA-N 0 3 386.448 3.558 20 5 GHBDHN CC(C)C(=O)NC1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000298726613 920856090 /nfs/dbraw/zinc/85/60/90/920856090.db2.gz FUNRJDFLFFFGOH-UHFFFAOYSA-N 0 3 378.472 3.683 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1sc(C)nc1C ZINC000298811883 920950859 /nfs/dbraw/zinc/95/08/59/920950859.db2.gz AJLRDASDTORUEC-GFCCVEGCSA-N 0 3 392.481 3.698 20 5 GHBDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000802747825 922379983 /nfs/dbraw/zinc/37/99/83/922379983.db2.gz CZYJSYHOFGHZGJ-XGSMCBPESA-N 0 3 392.463 3.560 20 5 GHBDHN COc1ccc(OC)c([C@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000409863879 925079619 /nfs/dbraw/zinc/07/96/19/925079619.db2.gz HCDXRRMKRSTMTD-GOSISDBHSA-N 0 3 399.447 3.778 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(c2cccnc2)CC1 ZINC000375363613 928215209 /nfs/dbraw/zinc/21/52/09/928215209.db2.gz UGLODYOIYOQOLV-UHFFFAOYSA-N 0 3 386.427 3.588 20 5 GHBDHN CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757113798 929652803 /nfs/dbraw/zinc/65/28/03/929652803.db2.gz ZJQHVXGPFUUVQP-YJBOKZPZSA-N 0 3 393.484 3.599 20 5 GHBDHN CCOc1cccc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000546578340 930274739 /nfs/dbraw/zinc/27/47/39/930274739.db2.gz MOEZERRZOKWWRZ-CALCHBBNSA-N 0 3 391.512 3.709 20 5 GHBDHN COc1cc(CNCC2(c3ccccc3OC)CCC2)c([N+](=O)[O-])cc1OC ZINC000546974371 930576955 /nfs/dbraw/zinc/57/69/55/930576955.db2.gz XCFDLZGQVNHLAY-UHFFFAOYSA-N 0 3 386.448 3.832 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H](CCO)Cc3ccccc3)cs2)c1 ZINC000799350676 932962233 /nfs/dbraw/zinc/96/22/33/932962233.db2.gz WWELMSIMIZCTQP-QGZVFWFLSA-N 0 3 383.473 3.802 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000777806469 933544680 /nfs/dbraw/zinc/54/46/80/933544680.db2.gz AKSLAUGXBHODKR-IEBWSBKVSA-N 0 3 399.495 3.674 20 5 GHBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116595606 933654398 /nfs/dbraw/zinc/65/43/98/933654398.db2.gz XDKKARNHCPPRPJ-CRAIPNDOSA-N 0 3 380.828 3.792 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](NCCc2cn3c(n2)SCC3)c2ccccc2)c1 ZINC000468044341 1015184341 /nfs/dbraw/zinc/18/43/41/1015184341.db2.gz GZFDZYLFXXAKIT-IBGZPJMESA-N 0 3 380.473 3.819 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000468656033 1015877150 /nfs/dbraw/zinc/87/71/50/1015877150.db2.gz QTJZJQDIYBBRNH-LGJZYNFKSA-N 0 3 391.471 3.745 20 5 GHBDHN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000545475750 1015916438 /nfs/dbraw/zinc/91/64/38/1015916438.db2.gz JZFQTRQYHQUWLI-FQEVSTJZSA-N 0 3 381.476 3.569 20 5 GHBDHN O=[N+]([O-])c1cc2c(cc1F)ncnc2O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001226803558 1032135600 /nfs/dbraw/zinc/13/56/00/1032135600.db2.gz BKQGRFZDFDUJQQ-HNNXBMFYSA-N 0 3 382.395 3.721 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(c2nnc3ccccn32)CC1 ZINC000470172915 1016743148 /nfs/dbraw/zinc/74/31/48/1016743148.db2.gz FLCDRLVRGXZKKA-DTQAZKPQSA-N 0 3 377.448 3.920 20 5 GHBDHN NCc1cn(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)cn1 ZINC001154909827 1032337770 /nfs/dbraw/zinc/33/77/70/1032337770.db2.gz ABXIICNORADETF-UHFFFAOYSA-N 0 3 379.754 3.563 20 5 GHBDHN COC(=O)c1ccc(O[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001227296348 1032360175 /nfs/dbraw/zinc/36/01/75/1032360175.db2.gz WIHZGJCSXRWSMW-FOIQADDNSA-N 0 3 384.432 3.671 20 5 GHBDHN CCOC(=O)c1ccc(O[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001227301941 1032363067 /nfs/dbraw/zinc/36/30/67/1032363067.db2.gz RXGJLHZWCIQQGC-YWZLYKJASA-N 0 3 384.432 3.671 20 5 GHBDHN Cc1nc(Cl)nc(O[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001227338069 1032380469 /nfs/dbraw/zinc/38/04/69/1032380469.db2.gz IXSIQPQJIKNKLX-WFASDCNBSA-N 0 3 376.844 3.636 20 5 GHBDHN COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC001227544208 1032458749 /nfs/dbraw/zinc/45/87/49/1032458749.db2.gz JQYZYRABHIROAC-HIFRSBDPSA-N 0 3 390.461 3.732 20 5 GHBDHN CCCN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(Cl)cc1 ZINC000562858322 1018716158 /nfs/dbraw/zinc/71/61/58/1018716158.db2.gz RZUACPPZWQKSBY-GOSISDBHSA-N 0 3 390.871 3.765 20 5 GHBDHN COc1cccc([C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000041595906 1019243707 /nfs/dbraw/zinc/24/37/07/1019243707.db2.gz UXUYETNDHKROHY-VZOQVYJPSA-N 0 3 395.459 3.570 20 5 GHBDHN C[C@@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001204652385 1033014664 /nfs/dbraw/zinc/01/46/64/1033014664.db2.gz XKDZZBBGSWPCRM-AWEZNQCLSA-N 0 3 394.397 3.934 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000836498450 1023034042 /nfs/dbraw/zinc/03/40/42/1023034042.db2.gz PTYNAVBCZYTXBK-GOSISDBHSA-N 0 3 375.856 3.898 20 5 GHBDHN CC[C@H](c1ccccc1)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001162626618 1025839357 /nfs/dbraw/zinc/83/93/57/1025839357.db2.gz ZVVRALJLLJDKNG-GOSISDBHSA-N 0 3 377.448 3.811 20 5 GHBDHN O=[N+]([O-])c1cnc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)nc1 ZINC001163464987 1026204235 /nfs/dbraw/zinc/20/42/35/1026204235.db2.gz FDZUBESOBJCTHV-VQTJNVASSA-N 0 3 393.422 3.604 20 5 GHBDHN COC(OC)[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001203458253 1027353780 /nfs/dbraw/zinc/35/37/80/1027353780.db2.gz ZAPBMPOUNAWFGG-HNNXBMFYSA-N 0 3 396.447 3.545 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001461341809 1069509274 /nfs/dbraw/zinc/50/92/74/1069509274.db2.gz KAJWNMKQUYQHDO-MJGOQNOKSA-N 0 3 395.459 3.507 20 5 GHBDHN CCC(C)(C)N1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC001214783347 1028911366 /nfs/dbraw/zinc/91/13/66/1028911366.db2.gz IKGKFHHMOAGWJI-UHFFFAOYSA-N 0 3 386.399 3.534 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000401079352 1029075359 /nfs/dbraw/zinc/07/53/59/1029075359.db2.gz MHVRAPBXRWVDJY-SOUVJXGZSA-N 0 3 381.498 3.782 20 5 GHBDHN c1ccc2nc3c(cccc3-c3nc(-c4ccc5c(n4)CCNC5)no3)nc2c1 ZINC001217435317 1030389923 /nfs/dbraw/zinc/38/99/23/1030389923.db2.gz CRZFCNYKPLONHU-UHFFFAOYSA-N 0 3 380.411 3.541 20 5 GHBDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223871225 1030783603 /nfs/dbraw/zinc/78/36/03/1030783603.db2.gz XODNWGYGBOHYFS-ZWKOTPCHSA-N 0 3 396.491 3.819 20 5 GHBDHN COc1ccc(C[C@@](C)(CO)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC001461734538 1069709689 /nfs/dbraw/zinc/70/96/89/1069709689.db2.gz FFHYBICUOSLBOJ-QFIPXVFZSA-N 0 3 396.443 3.947 20 5 GHBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H](N)c1ccccc1 ZINC001219005329 1031208290 /nfs/dbraw/zinc/20/82/90/1031208290.db2.gz LBLOPGDOUSBNPR-NRFANRHFSA-N 0 3 386.455 3.595 20 5 GHBDHN CC[C@](CNCc1ccc([N+](=O)[O-])cc1Cl)(C(=O)OC)c1ccccc1 ZINC001206263648 1033777569 /nfs/dbraw/zinc/77/75/69/1033777569.db2.gz PZRMTHTZKUMUBP-LJQANCHMSA-N 0 3 376.840 3.859 20 5 GHBDHN C[C@@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001230216230 1033947744 /nfs/dbraw/zinc/94/77/44/1033947744.db2.gz CGRYBKDUMJSFDU-NUJGCVRESA-N 0 3 382.464 3.618 20 5 GHBDHN CSc1nc(Cl)nc(N(C2CCCC2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC001158488397 1034105211 /nfs/dbraw/zinc/10/52/11/1034105211.db2.gz XJFZFWDQDCJELJ-UHFFFAOYSA-N 0 3 385.921 3.603 20 5 GHBDHN O=[N+]([O-])c1cccc2ccc(OC[C@H]3CN(Cc4ccccc4)CCCO3)nc21 ZINC001233837198 1039656210 /nfs/dbraw/zinc/65/62/10/1039656210.db2.gz XHSUVKJAFCZIEB-LJQANCHMSA-N 0 3 393.443 3.813 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cc(OC4CCC4)ccn3)CC2)cc1 ZINC001254469972 1040256594 /nfs/dbraw/zinc/25/65/94/1040256594.db2.gz DDXYHXNURBWYAO-UHFFFAOYSA-N 0 3 382.464 3.680 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001254570037 1040346906 /nfs/dbraw/zinc/34/69/06/1040346906.db2.gz MFAPPLMORDBVTP-YJBOKZPZSA-N 0 3 380.448 3.648 20 5 GHBDHN Cc1c(Br)cc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001292270132 1043657153 /nfs/dbraw/zinc/65/71/53/1043657153.db2.gz NIFSJZFDYWYHPX-LBPRGKRZSA-N 0 3 398.301 3.516 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1Cl ZINC001294799870 1044797481 /nfs/dbraw/zinc/79/74/81/1044797481.db2.gz ABRDNMMDKUWEBZ-GOEBONIOSA-N 0 3 387.867 3.949 20 5 GHBDHN COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001306901778 1048952707 /nfs/dbraw/zinc/95/27/07/1048952707.db2.gz NLTSUUVIEXMSDB-MGPUTAFESA-N 0 3 385.464 3.562 20 5 GHBDHN COc1ccc(CN2CCCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC001306920818 1048960742 /nfs/dbraw/zinc/96/07/42/1048960742.db2.gz PQIFRIUFVCTJDO-UHFFFAOYSA-N 0 3 375.856 3.969 20 5 GHBDHN CCOc1cc(CN2CCN(c3ccnc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001307759062 1049572483 /nfs/dbraw/zinc/57/24/83/1049572483.db2.gz WEQCPZBVOPHNFP-UHFFFAOYSA-N 0 3 392.459 3.864 20 5 GHBDHN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001308305591 1049944505 /nfs/dbraw/zinc/94/45/05/1049944505.db2.gz GCDAZQSXKVUVPU-UNMCSNQZSA-N 0 3 383.492 3.672 20 5 GHBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC[C@@H]2N1 ZINC001330864948 1051132956 /nfs/dbraw/zinc/13/29/56/1051132956.db2.gz DFAATZLHSDODNH-WBMJQRKESA-N 0 3 389.839 3.609 20 5 GHBDHN CN1CCN(Cc2cccc(CNc3ccc4ncccc4c3[N+](=O)[O-])c2)CC1 ZINC001318726602 1054827961 /nfs/dbraw/zinc/82/79/61/1054827961.db2.gz CTOLJDKWORBWPT-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001440678262 1058579560 /nfs/dbraw/zinc/57/95/60/1058579560.db2.gz VTRDMBGCDHUKNH-NJDAHSKKSA-N 0 3 379.460 3.652 20 5 GHBDHN COc1ccc(OCCN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC001340938940 1060268982 /nfs/dbraw/zinc/26/89/82/1060268982.db2.gz CQMKSPZGZRPHIK-HNNXBMFYSA-N 0 3 396.447 3.738 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC001348257063 1062968824 /nfs/dbraw/zinc/96/88/24/1062968824.db2.gz PDWDPRAAMSFMAR-IRXDYDNUSA-N 0 3 385.247 3.648 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1F ZINC001435994623 1063071922 /nfs/dbraw/zinc/07/19/22/1063071922.db2.gz KAFSBENKRYZTTJ-LJQANCHMSA-N 0 3 387.455 3.929 20 5 GHBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](CN1CCCCC1)c1ccccc1 ZINC001458204518 1063653653 /nfs/dbraw/zinc/65/36/53/1063653653.db2.gz SDWSMRGZDCXJFV-CQSZACIVSA-N 0 3 397.401 3.986 20 5 GHBDHN CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCN(C)C1 ZINC001200384327 1066056090 /nfs/dbraw/zinc/05/60/90/1066056090.db2.gz VSKJTGXGOFWQHE-QGZVFWFLSA-N 0 3 384.436 3.945 20 5 GHBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccc(Cl)cc1 ZINC001472713199 1073631027 /nfs/dbraw/zinc/63/10/27/1073631027.db2.gz DYRVMXPWMSDMEO-LLVKDONJSA-N 0 3 391.781 3.715 20 5 GHBDHN CN(C(=O)CN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001473485165 1073984901 /nfs/dbraw/zinc/98/49/01/1073984901.db2.gz VYZBVHRFBSDALS-UXHICEINSA-N 0 3 397.475 3.531 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)OC2(CCCCC2)C1 ZINC001473596975 1074039571 /nfs/dbraw/zinc/03/95/71/1074039571.db2.gz FFHWXCUAUXZIDH-MRXNPFEDSA-N 0 3 375.469 3.655 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001474374788 1074371187 /nfs/dbraw/zinc/37/11/87/1074371187.db2.gz DGAHKGJPSNNASQ-PBHICJAKSA-N 0 3 377.485 3.947 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431801677 837695609 /nfs/dbraw/zinc/69/56/09/837695609.db2.gz SPIUNNSOVVCOGG-APWZRJJASA-N 0 3 396.491 3.965 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(F)ccc2Br)n1 ZINC000583673441 834858414 /nfs/dbraw/zinc/85/84/14/834858414.db2.gz KLKWLSRCQGZONY-GJZGRUSLSA-N 0 3 397.248 3.966 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000583896293 835203875 /nfs/dbraw/zinc/20/38/75/835203875.db2.gz SGNQDDKKBXCWEY-SJLPKXTDSA-N 0 3 382.464 3.996 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000583896291 835204032 /nfs/dbraw/zinc/20/40/32/835204032.db2.gz SGNQDDKKBXCWEY-AEFFLSMTSA-N 0 3 382.464 3.996 20 5 GHBDHN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187170250 835254455 /nfs/dbraw/zinc/25/44/55/835254455.db2.gz CXQCCRUAUVSJHE-IIBYNOLFSA-N 0 3 396.491 3.616 20 5 GHBDHN CC[C@@H](C)N[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000584011269 835426872 /nfs/dbraw/zinc/42/68/72/835426872.db2.gz HJSHBLVLKFKFLP-ZWNOBZJWSA-N 0 3 383.246 3.887 20 5 GHBDHN COc1cc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccccc1 ZINC000179708504 835951921 /nfs/dbraw/zinc/95/19/21/835951921.db2.gz VVXPNTCUSBUARI-INIZCTEOSA-N 0 3 396.447 3.730 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000614937115 836088008 /nfs/dbraw/zinc/08/80/08/836088008.db2.gz LHEMLXCDDCDEJX-UHFFFAOYSA-N 0 3 398.463 3.652 20 5 GHBDHN COc1ccc(CNC(=O)c2cccc(CN3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000411555630 836210710 /nfs/dbraw/zinc/21/07/10/836210710.db2.gz SIANHTTYPXLQJU-UHFFFAOYSA-N 0 3 383.448 3.519 20 5 GHBDHN Cc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000101531518 837959240 /nfs/dbraw/zinc/95/92/40/837959240.db2.gz UJBQSPOHYXLVSM-UHFFFAOYSA-N 0 3 381.476 3.684 20 5 GHBDHN O=[N+]([O-])c1ccn(CCN2CCC(COc3ccccc3C(F)(F)F)CC2)n1 ZINC000187838753 838363298 /nfs/dbraw/zinc/36/32/98/838363298.db2.gz MAFAPSRIJFQEHZ-UHFFFAOYSA-N 0 3 398.385 3.601 20 5 GHBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCN1C ZINC000275822234 839244051 /nfs/dbraw/zinc/24/40/51/839244051.db2.gz SJSOTFFGIRRAES-WFASDCNBSA-N 0 3 399.441 3.927 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccc(Cl)cc1 ZINC000549242435 839503899 /nfs/dbraw/zinc/50/38/99/839503899.db2.gz XVRYOHBOPWUXOG-MRXNPFEDSA-N 0 3 386.839 3.762 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccc(Cl)cc2)CC1 ZINC000566669928 840144400 /nfs/dbraw/zinc/14/44/00/840144400.db2.gz HZGRFTGJZHFQPW-UHFFFAOYSA-N 0 3 389.839 3.864 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(N3CCOCC3)c1)CCCC2 ZINC000417354405 840758440 /nfs/dbraw/zinc/75/84/40/840758440.db2.gz ZGBLJNXLXYSUCH-JOCHJYFZSA-N 0 3 381.476 3.989 20 5 GHBDHN CN(C(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000511856478 840970411 /nfs/dbraw/zinc/97/04/11/840970411.db2.gz XNPDSDQTHHGLHC-PWRODBHTSA-N 0 3 379.460 3.826 20 5 GHBDHN Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000106878800 841128385 /nfs/dbraw/zinc/12/83/85/841128385.db2.gz WCMNEXAPTPKIGD-CYBMUJFWSA-N 0 3 376.482 3.998 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061287027 861222679 /nfs/dbraw/zinc/22/26/79/861222679.db2.gz SHOFSWZSXFWTAH-UHFFFAOYSA-N 0 3 385.489 3.747 20 5 GHBDHN O=[N+]([O-])c1ncccc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000603845382 861264294 /nfs/dbraw/zinc/26/42/94/861264294.db2.gz QVJLTWIWNXMKHW-UHFFFAOYSA-N 0 3 380.370 3.721 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)s1 ZINC000600208925 861282866 /nfs/dbraw/zinc/28/28/66/861282866.db2.gz RVOYROPXOTYZEX-XESHVACXSA-N 0 3 376.503 3.809 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000112186988 842233173 /nfs/dbraw/zinc/23/31/73/842233173.db2.gz QKGDEYGCOZRXQV-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000512108741 842518684 /nfs/dbraw/zinc/51/86/84/842518684.db2.gz HSSXYEPXOZGTOP-AWEZNQCLSA-N 0 3 377.510 3.867 20 5 GHBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000600228970 861350703 /nfs/dbraw/zinc/35/07/03/861350703.db2.gz ILPKQJRHNNMQRM-AWEZNQCLSA-N 0 3 385.386 3.750 20 5 GHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(CCC(C)(C)C)CC1 ZINC000055936287 861359238 /nfs/dbraw/zinc/35/92/38/861359238.db2.gz WTNHBBASSUVLEF-AWEZNQCLSA-N 0 3 396.919 3.629 20 5 GHBDHN COc1c(O)ccc(CN(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566320 843116318 /nfs/dbraw/zinc/11/63/18/843116318.db2.gz ARSKFARMCFYJPH-FUHWJXTLSA-N 0 3 390.411 3.800 20 5 GHBDHN COc1c([O-])ccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566320 843116325 /nfs/dbraw/zinc/11/63/25/843116325.db2.gz ARSKFARMCFYJPH-FUHWJXTLSA-N 0 3 390.411 3.800 20 5 GHBDHN COc1c([O-])ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566320 843116335 /nfs/dbraw/zinc/11/63/35/843116335.db2.gz ARSKFARMCFYJPH-FUHWJXTLSA-N 0 3 390.411 3.800 20 5 GHBDHN CN(CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000065115861 843799756 /nfs/dbraw/zinc/79/97/56/843799756.db2.gz ATJIWHBUPGQRBA-UHFFFAOYSA-N 0 3 396.472 3.580 20 5 GHBDHN COc1ccccc1C[C@H]1CCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000512658146 844927930 /nfs/dbraw/zinc/92/79/30/844927930.db2.gz OGSIEPSHAKFJIZ-QGZVFWFLSA-N 0 3 386.448 3.828 20 5 GHBDHN Cc1c([C@H](C)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000119495188 845400561 /nfs/dbraw/zinc/40/05/61/845400561.db2.gz QELOYQHCNRRQGI-HKUYNNGSSA-N 0 3 381.476 3.788 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000182656027 845519905 /nfs/dbraw/zinc/51/99/05/845519905.db2.gz FHVMZMSESRFQLH-QGZVFWFLSA-N 0 3 391.512 3.608 20 5 GHBDHN CC1CCN([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000072007038 846204348 /nfs/dbraw/zinc/20/43/48/846204348.db2.gz RCLWZDGOIMLNNF-OAQYLSRUSA-N 0 3 397.475 3.563 20 5 GHBDHN C[C@@H](CN1CCCC1=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000513643056 846204917 /nfs/dbraw/zinc/20/49/17/846204917.db2.gz MJGHHTDUVSQNCW-AWEZNQCLSA-N 0 3 387.411 3.627 20 5 GHBDHN C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540375423 846689338 /nfs/dbraw/zinc/68/93/38/846689338.db2.gz HOIPKBYHQSDDMW-NHYWBVRUSA-N 0 3 385.247 3.992 20 5 GHBDHN CC[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000501381685 846892958 /nfs/dbraw/zinc/89/29/58/846892958.db2.gz KZZDPXLADNHTMM-LJQANCHMSA-N 0 3 382.464 3.862 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000127579523 847098244 /nfs/dbraw/zinc/09/82/44/847098244.db2.gz YXIXAIANRKYBHM-UHFFFAOYSA-N 0 3 376.482 3.869 20 5 GHBDHN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000502169409 847550585 /nfs/dbraw/zinc/55/05/85/847550585.db2.gz HNEOTJHVNMPNJU-FZKQIMNGSA-N 0 3 390.871 3.739 20 5 GHBDHN O=[N+]([O-])c1cnn(CCNCc2cnn(C3CCCC3)c2-c2ccccc2)c1 ZINC000421346171 847967113 /nfs/dbraw/zinc/96/71/13/847967113.db2.gz YKTNKNOWCDYNSW-UHFFFAOYSA-N 0 3 380.452 3.560 20 5 GHBDHN COc1cc(CN2CCC23CCOCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000375729626 848040397 /nfs/dbraw/zinc/04/03/97/848040397.db2.gz GBFPFRRBRZUAGL-UHFFFAOYSA-N 0 3 398.459 3.937 20 5 GHBDHN Cc1c(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480071672 848064864 /nfs/dbraw/zinc/06/48/64/848064864.db2.gz WNRQLLPIJJFILL-FQEVSTJZSA-N 0 3 396.491 3.709 20 5 GHBDHN C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604127370 861862253 /nfs/dbraw/zinc/86/22/53/861862253.db2.gz VESZZPIQLCWDFI-APWZRJJASA-N 0 3 382.464 3.620 20 5 GHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000518767001 850065073 /nfs/dbraw/zinc/06/50/73/850065073.db2.gz VQHAUWSKNJMUHU-OAHLLOKOSA-N 0 3 399.447 3.610 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439889552 850529376 /nfs/dbraw/zinc/52/93/76/850529376.db2.gz VTBFKSULRQQIML-UHFFFAOYSA-N 0 3 392.481 3.651 20 5 GHBDHN C[C@H](C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000425017639 850868815 /nfs/dbraw/zinc/86/88/15/850868815.db2.gz ZJWZSXAYRPMVFV-HZUJVAHNSA-N 0 3 397.450 3.570 20 5 GHBDHN C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCC[C@@H]1C ZINC000436102072 851199842 /nfs/dbraw/zinc/19/98/42/851199842.db2.gz PUOFUNAMUJQIMW-HOTGVXAUSA-N 0 3 377.488 3.674 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])N(C)C)cc1 ZINC000175085994 851549155 /nfs/dbraw/zinc/54/91/55/851549155.db2.gz RFZVBYADPOOECD-KRWDZBQOSA-N 0 3 375.856 3.843 20 5 GHBDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000473761210 851852404 /nfs/dbraw/zinc/85/24/04/851852404.db2.gz BIUGFFZBDSXWFR-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN CCOc1ccc(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000425633533 852369925 /nfs/dbraw/zinc/36/99/25/852369925.db2.gz VBHKLDFMRRKCLB-KRWDZBQOSA-N 0 3 383.448 3.517 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000150801469 852406871 /nfs/dbraw/zinc/40/68/71/852406871.db2.gz DSWAUKKMLOHEIZ-JKSUJKDBSA-N 0 3 393.484 3.599 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489886489 852624577 /nfs/dbraw/zinc/62/45/77/852624577.db2.gz MTOWLEBMUTUXCB-KRWDZBQOSA-N 0 3 396.491 3.712 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000163961222 853636630 /nfs/dbraw/zinc/63/66/30/853636630.db2.gz UWDXEAGOPRZLDG-MAUKXSAKSA-N 0 3 382.464 3.854 20 5 GHBDHN COc1ccc(OCCN2CCC[C@H]2c2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000441367332 854150148 /nfs/dbraw/zinc/15/01/48/854150148.db2.gz HGFJWALLSORFTN-IBGZPJMESA-N 0 3 385.464 3.885 20 5 GHBDHN Cc1ccc([C@@H](C)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000156798900 854335542 /nfs/dbraw/zinc/33/55/42/854335542.db2.gz VGGXVJFIVOFNFJ-PXAZEXFGSA-N 0 3 392.839 3.712 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000588771332 854411314 /nfs/dbraw/zinc/41/13/14/854411314.db2.gz XRDGXMZFILLSBQ-RDTXWAMCSA-N 0 3 385.489 3.710 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N2CCCC2)cc1 ZINC000499398381 855191503 /nfs/dbraw/zinc/19/15/03/855191503.db2.gz ATXPYWRZPAKQHG-FQEVSTJZSA-N 0 3 392.459 3.951 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000590068585 855273789 /nfs/dbraw/zinc/27/37/89/855273789.db2.gz CSOZFHVIGNIMJP-UHFFFAOYSA-N 0 3 395.503 3.915 20 5 GHBDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000542706587 855512880 /nfs/dbraw/zinc/51/28/80/855512880.db2.gz FTRCTPMPARILLI-AWEZNQCLSA-N 0 3 396.896 3.551 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000591026167 855746167 /nfs/dbraw/zinc/74/61/67/855746167.db2.gz CMETWPPPEMQZBR-NEPJUHHUSA-N 0 3 389.374 3.595 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000508900134 856196045 /nfs/dbraw/zinc/19/60/45/856196045.db2.gz XCWIFEJNIVDJLY-IERDGZPVSA-N 0 3 396.491 3.960 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)CC[C@H](O)c2ccccc2)cc(C(F)(F)F)c1 ZINC000905237688 856233314 /nfs/dbraw/zinc/23/33/14/856233314.db2.gz JQSZMYGCLOCLNS-ROUUACIJSA-N 0 3 398.381 3.578 20 5 GHBDHN O=C(CCN1CCC(c2ncccc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000429209057 862832358 /nfs/dbraw/zinc/83/23/58/862832358.db2.gz NPZVXRBMTOMGJT-UHFFFAOYSA-N 0 3 388.855 3.851 20 5 GHBDHN COc1cc(CN[C@@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000592380951 856825935 /nfs/dbraw/zinc/82/59/35/856825935.db2.gz WVOYBRUFSCMLIU-GXSJLCMTSA-N 0 3 380.388 3.528 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173330410 856858420 /nfs/dbraw/zinc/85/84/20/856858420.db2.gz HGUJITFBBKXKTE-LSDHHAIUSA-N 0 3 383.448 3.664 20 5 GHBDHN C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173389271 856901709 /nfs/dbraw/zinc/90/17/09/856901709.db2.gz NCYIXRQJHYZPJE-CVEARBPZSA-N 0 3 386.471 3.898 20 5 GHBDHN COC(=O)C1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000733327909 862868033 /nfs/dbraw/zinc/86/80/33/862868033.db2.gz FQMIMWUZYIQSSW-UHFFFAOYSA-N 0 3 375.450 3.540 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000173867812 857170296 /nfs/dbraw/zinc/17/02/96/857170296.db2.gz UCQLWQLOBACJKW-QGZVFWFLSA-N 0 3 395.381 3.955 20 5 GHBDHN COc1ccc(F)cc1[C@@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129774000 857248571 /nfs/dbraw/zinc/24/85/71/857248571.db2.gz YRILDGRWVAVQGZ-LLVKDONJSA-N 0 3 379.363 3.561 20 5 GHBDHN CN(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000113326713 857429297 /nfs/dbraw/zinc/42/92/97/857429297.db2.gz VALKPSSWGRXQCA-UHFFFAOYSA-N 0 3 382.489 3.940 20 5 GHBDHN Cn1cc(CN2CC[C@H](Oc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592518203 857666265 /nfs/dbraw/zinc/66/62/65/857666265.db2.gz LAVGGGYFOKPRCW-FQEVSTJZSA-N 0 3 378.432 3.649 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000065938157 857888028 /nfs/dbraw/zinc/88/80/28/857888028.db2.gz VSHGWUWKCKCUQE-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN CC(C)CN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000114143004 857914234 /nfs/dbraw/zinc/91/42/34/857914234.db2.gz JBTHTKSFTPJJPJ-OAHLLOKOSA-N 0 3 379.526 3.654 20 5 GHBDHN CC(C)CN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000114143007 857914380 /nfs/dbraw/zinc/91/43/80/857914380.db2.gz JBTHTKSFTPJJPJ-HNNXBMFYSA-N 0 3 379.526 3.654 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)c(C)c2)CC1 ZINC000159758802 862977052 /nfs/dbraw/zinc/97/70/52/862977052.db2.gz GOKRDNWIXZLXDR-UHFFFAOYSA-N 0 3 396.491 3.535 20 5 GHBDHN CC(C)(C)c1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595258194 858456079 /nfs/dbraw/zinc/45/60/79/858456079.db2.gz SHALVVZRKXPADR-IBGZPJMESA-N 0 3 383.448 3.806 20 5 GHBDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2onc(C)c2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000595369401 858518810 /nfs/dbraw/zinc/51/88/10/858518810.db2.gz FEDGIOCRBPCMMY-UQFXTHDASA-N 0 3 392.500 3.575 20 5 GHBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCN(c2ccccn2)CC1 ZINC000482698923 858773859 /nfs/dbraw/zinc/77/38/59/858773859.db2.gz MFLNAXUVFSVJCL-UHFFFAOYSA-N 0 3 394.479 3.605 20 5 GHBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1O ZINC000250120152 858799439 /nfs/dbraw/zinc/79/94/39/858799439.db2.gz VDXMYSWPJWDOTQ-BDJLRTHQSA-N 0 3 395.253 3.820 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC(O)(c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170329828 881367203 /nfs/dbraw/zinc/36/72/03/881367203.db2.gz VIXQHKCFQBHPAT-KRWDZBQOSA-N 0 3 384.476 3.826 20 5 GHBDHN Cc1ccc(Sc2ccc(CNCCC[S@](C)=O)cc2[N+](=O)[O-])cc1 ZINC000116919622 859221554 /nfs/dbraw/zinc/22/15/54/859221554.db2.gz FOUTWCAKHFRNEM-RUZDIDTESA-N 0 3 378.519 3.913 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000601581836 859353926 /nfs/dbraw/zinc/35/39/26/859353926.db2.gz QNXRPMSANLKKKW-GOSISDBHSA-N 0 3 389.427 3.554 20 5 GHBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000611215806 859652924 /nfs/dbraw/zinc/65/29/24/859652924.db2.gz FQZHVARDHCZDGM-AWEZNQCLSA-N 0 3 377.510 3.701 20 5 GHBDHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266776 859673849 /nfs/dbraw/zinc/67/38/49/859673849.db2.gz MGUKSCGEUSPLLU-HTAPYJJXSA-N 0 3 398.459 3.966 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCCCC2)C1=O ZINC000611337129 859712081 /nfs/dbraw/zinc/71/20/81/859712081.db2.gz UVWQSKXIIZVKCM-WBVHZDCISA-N 0 3 391.537 3.989 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000727769542 860213647 /nfs/dbraw/zinc/21/36/47/860213647.db2.gz CWQWMUFURMEZNE-UHFFFAOYSA-N 0 3 376.844 3.844 20 5 GHBDHN C[C@H](O)CCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093481879 860282682 /nfs/dbraw/zinc/28/26/82/860282682.db2.gz HGIQNWXUCBJUCS-INIZCTEOSA-N 0 3 380.448 3.650 20 5 GHBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000093898639 860370168 /nfs/dbraw/zinc/37/01/68/860370168.db2.gz RNMQZSPQKBUDFW-CYBMUJFWSA-N 0 3 391.855 3.854 20 5 GHBDHN CC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nnc2n1CCCCC2 ZINC000765642230 860374635 /nfs/dbraw/zinc/37/46/35/860374635.db2.gz LJDSKSTVVOYJSU-LJQANCHMSA-N 0 3 398.511 3.622 20 5 GHBDHN COc1ccc(CN2CC[C@H]2CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000599068182 860775886 /nfs/dbraw/zinc/77/58/86/860775886.db2.gz LNKAQDQFSUEZOU-YJBOKZPZSA-N 0 3 385.464 3.537 20 5 GHBDHN COC[C@H]1C[C@@H](O)CN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000593674565 860787549 /nfs/dbraw/zinc/78/75/49/860787549.db2.gz YFVVISNYTYNTLV-HZPDHXFCSA-N 0 3 392.839 3.622 20 5 GHBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000603607882 860899472 /nfs/dbraw/zinc/89/94/72/860899472.db2.gz PKENLRBGUXZLDV-INIZCTEOSA-N 0 3 399.447 3.610 20 5 GHBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444160922 863567837 /nfs/dbraw/zinc/56/78/37/863567837.db2.gz PLMWJDZLAYUIEV-SFHVURJKSA-N 0 3 389.499 3.676 20 5 GHBDHN COC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000494496290 881794510 /nfs/dbraw/zinc/79/45/10/881794510.db2.gz UGFCRGGAEZCALT-ACJLOTCBSA-N 0 3 391.855 3.943 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(Cl)c1 ZINC000554749784 864855272 /nfs/dbraw/zinc/85/52/72/864855272.db2.gz WOODLXCHWUXKEK-SFHVURJKSA-N 0 3 391.855 3.863 20 5 GHBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792934093 881825971 /nfs/dbraw/zinc/82/59/71/881825971.db2.gz LFXIOZDFQLIQEK-CJNGLKHVSA-N 0 3 376.840 3.758 20 5 GHBDHN CCOc1cc(N2CCN(c3ccnc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000480849446 865392818 /nfs/dbraw/zinc/39/28/18/865392818.db2.gz ADPPBYZCQJFCRE-UHFFFAOYSA-N 0 3 378.432 3.868 20 5 GHBDHN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000248741580 865684561 /nfs/dbraw/zinc/68/45/61/865684561.db2.gz MAINIMDKQYZNOE-RZQQEMMASA-N 0 3 383.448 3.679 20 5 GHBDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183143276 866268009 /nfs/dbraw/zinc/26/80/09/866268009.db2.gz VVTPQYLINZNQMF-OAHLLOKOSA-N 0 3 393.447 3.687 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000475562479 866304786 /nfs/dbraw/zinc/30/47/86/866304786.db2.gz SXQLFMDFNOMLTJ-UHFFFAOYSA-N 0 3 392.525 3.695 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000456330411 866436043 /nfs/dbraw/zinc/43/60/43/866436043.db2.gz JKCPRFQASKJQOE-INIZCTEOSA-N 0 3 392.459 3.670 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000456327635 866447054 /nfs/dbraw/zinc/44/70/54/866447054.db2.gz HSNXGVFDVPLNTE-MRXNPFEDSA-N 0 3 392.459 3.670 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000741747176 866751746 /nfs/dbraw/zinc/75/17/46/866751746.db2.gz ODMPYAFLOZYPMZ-CQSZACIVSA-N 0 3 389.839 3.721 20 5 GHBDHN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C)CN1Cc1ccccc1 ZINC000553449812 867437886 /nfs/dbraw/zinc/43/78/86/867437886.db2.gz ZVYVFYATFZHRDY-ZIAGYGMSSA-N 0 3 383.477 3.699 20 5 GHBDHN CC1(C)CCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000457045353 867566757 /nfs/dbraw/zinc/56/67/57/867566757.db2.gz AOMBGONIINPBBR-UHFFFAOYSA-N 0 3 399.441 3.564 20 5 GHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000041800782 868067919 /nfs/dbraw/zinc/06/79/19/868067919.db2.gz DKCUTCAENIQGJO-KRWDZBQOSA-N 0 3 384.461 3.705 20 5 GHBDHN Cc1c(NC(=O)CCN[C@H](CCO)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000553942670 868475789 /nfs/dbraw/zinc/47/57/89/868475789.db2.gz AIUREGJPHBAIQV-QGZVFWFLSA-N 0 3 391.855 3.599 20 5 GHBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000183965854 868837846 /nfs/dbraw/zinc/83/78/46/868837846.db2.gz IAURAGGGBLBTCC-CQSZACIVSA-N 0 3 391.418 3.567 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000152855484 869483038 /nfs/dbraw/zinc/48/30/38/869483038.db2.gz CLDXZEYIYQMEQO-GOSISDBHSA-N 0 3 381.476 3.650 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000462489121 869544944 /nfs/dbraw/zinc/54/49/44/869544944.db2.gz YBYMVXAZLSVTDH-FXAWDEMLSA-N 0 3 381.476 3.683 20 5 GHBDHN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000462860847 870234728 /nfs/dbraw/zinc/23/47/28/870234728.db2.gz HNIKYHYWSTYUID-QGZVFWFLSA-N 0 3 391.475 3.766 20 5 GHBDHN Cc1ccc(Sc2ccc(CN[C@@]3(CCO)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000447090707 870977172 /nfs/dbraw/zinc/97/71/72/870977172.db2.gz MGYMCHLFACTKIV-FQEVSTJZSA-N 0 3 388.489 3.686 20 5 GHBDHN COC(=O)c1ccc(OCCN[C@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000540379276 871169179 /nfs/dbraw/zinc/16/91/79/871169179.db2.gz GISSBILZEVLBET-GFCCVEGCSA-N 0 3 378.812 3.764 20 5 GHBDHN CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001194193522 871549186 /nfs/dbraw/zinc/54/91/86/871549186.db2.gz USCQXTQTFJSQKX-MOPGFXCFSA-N 0 3 391.855 3.535 20 5 GHBDHN COC(=O)COc1ccc(CN2CCCC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000475711207 882538142 /nfs/dbraw/zinc/53/81/42/882538142.db2.gz VLHWZPMAHRBJEH-UHFFFAOYSA-N 0 3 376.453 3.693 20 5 GHBDHN O=[N+]([O-])c1cc2c(cc1NCc1ccc(Br)c(Cl)n1)CNC2 ZINC001169818979 871917042 /nfs/dbraw/zinc/91/70/42/871917042.db2.gz BLYWSILSLZLPGD-UHFFFAOYSA-N 0 3 383.633 3.621 20 5 GHBDHN COc1ccc(OC(F)F)c(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447578794 871923535 /nfs/dbraw/zinc/92/35/35/871923535.db2.gz HKFMSPWHUBXHOI-LSDHHAIUSA-N 0 3 396.394 3.675 20 5 GHBDHN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195384660 872382091 /nfs/dbraw/zinc/38/20/91/872382091.db2.gz AQJCDMMIZPYCEK-INIZCTEOSA-N 0 3 378.469 3.950 20 5 GHBDHN COc1ccc(C[C@@H](C)CN(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000121463656 873286328 /nfs/dbraw/zinc/28/63/28/873286328.db2.gz GCIPIFDKMVGSSS-MRXNPFEDSA-N 0 3 395.463 3.630 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000448574039 873624730 /nfs/dbraw/zinc/62/47/30/873624730.db2.gz OQHNLXWPQQNMJN-INIZCTEOSA-N 0 3 381.354 3.646 20 5 GHBDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000768952753 873730076 /nfs/dbraw/zinc/73/00/76/873730076.db2.gz RIBFXTLOPYZMOP-CYBMUJFWSA-N 0 3 375.425 3.858 20 5 GHBDHN C[C@@H]1COCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000769457814 874083994 /nfs/dbraw/zinc/08/39/94/874083994.db2.gz UWQKBDCGTSRSHA-KRWDZBQOSA-N 0 3 392.459 3.916 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541783338 874256482 /nfs/dbraw/zinc/25/64/82/874256482.db2.gz DVUVNXIVYBZFTR-HNNXBMFYSA-N 0 3 386.427 3.862 20 5 GHBDHN C[C@H](NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000153065664 874971376 /nfs/dbraw/zinc/97/13/76/874971376.db2.gz PAZNSVZANNRXKC-LRDDRELGSA-N 0 3 384.354 3.704 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271744365 874996416 /nfs/dbraw/zinc/99/64/16/874996416.db2.gz QNOCVLBCKBROBN-HNNXBMFYSA-N 0 3 386.452 3.555 20 5 GHBDHN COc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000858227888 882958871 /nfs/dbraw/zinc/95/88/71/882958871.db2.gz SDHMWIVNQCKSCX-KRWDZBQOSA-N 0 3 391.468 3.625 20 5 GHBDHN CN(c1ccc([N+](=O)[O-])c2cnccc21)C1CCN(CCC(F)(F)F)CC1 ZINC000450950151 877113237 /nfs/dbraw/zinc/11/32/37/877113237.db2.gz MBULOMKUKCCBRV-UHFFFAOYSA-N 0 3 382.386 3.996 20 5 GHBDHN CN(C)CCN(Cc1ccsc1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001129700714 883109125 /nfs/dbraw/zinc/10/91/25/883109125.db2.gz MZOCBQVUXHDDNU-UHFFFAOYSA-N 0 3 395.912 3.833 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000537677294 883116445 /nfs/dbraw/zinc/11/64/45/883116445.db2.gz FGGIBXMTJSVZPY-LPHOPBHVSA-N 0 3 381.476 3.913 20 5 GHBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000610042795 877324355 /nfs/dbraw/zinc/32/43/55/877324355.db2.gz UKPLGJMSFUHAPH-UHFFFAOYSA-N 0 3 398.301 3.694 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610128092 877441081 /nfs/dbraw/zinc/44/10/81/877441081.db2.gz ZKSYDTONGNKCAX-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1F ZINC000179618806 877779740 /nfs/dbraw/zinc/77/97/40/877779740.db2.gz OVUFHOCXAQVVKN-MRXNPFEDSA-N 0 3 393.390 3.951 20 5 GHBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000152391754 877987903 /nfs/dbraw/zinc/98/79/03/877987903.db2.gz LUWKJKZVWUNMRO-QFIPXVFZSA-N 0 3 378.428 3.997 20 5 GHBDHN C[C@@H]1Cc2ccccc2N1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586612 878262918 /nfs/dbraw/zinc/26/29/18/878262918.db2.gz GFGWSLCRCKTTEY-ZHRRBRCNSA-N 0 3 381.476 3.544 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000494049375 879852959 /nfs/dbraw/zinc/85/29/59/879852959.db2.gz NQHYVGBSBZNDPL-AUUYWEPGSA-N 0 3 387.867 3.570 20 5 GHBDHN CCC[C@H](NCCn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000453252898 880686052 /nfs/dbraw/zinc/68/60/52/880686052.db2.gz OQZDMPLCGNUVRY-INIZCTEOSA-N 0 3 394.269 3.650 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000499101355 881103377 /nfs/dbraw/zinc/10/33/77/881103377.db2.gz NZUMGUYTXXXPKO-ZOBUZTSGSA-N 0 3 388.468 3.986 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000609467269 883228591 /nfs/dbraw/zinc/22/85/91/883228591.db2.gz NDRLHXFAXJFMSV-GOSISDBHSA-N 0 3 385.464 3.505 20 5 GHBDHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000551219141 883509077 /nfs/dbraw/zinc/50/90/77/883509077.db2.gz BSVKPSUUDFSXNJ-KZULUSFZSA-N 0 3 396.871 3.756 20 5 GHBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000551219140 883509489 /nfs/dbraw/zinc/50/94/89/883509489.db2.gz BSVKPSUUDFSXNJ-KPZWWZAWSA-N 0 3 396.871 3.756 20 5 GHBDHN COCC[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000495386324 885622562 /nfs/dbraw/zinc/62/25/62/885622562.db2.gz UVUCRBIVOVYYTR-SUMWQHHRSA-N 0 3 375.425 3.581 20 5 GHBDHN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C2CC2)cc1 ZINC000193345004 885656695 /nfs/dbraw/zinc/65/66/95/885656695.db2.gz LECRBOMWWHRREY-RNODOKPDSA-N 0 3 399.447 3.680 20 5 GHBDHN CN(C)[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000915308986 886300668 /nfs/dbraw/zinc/30/06/68/886300668.db2.gz GUYMXBSTHUYPNM-OAHLLOKOSA-N 0 3 376.844 3.543 20 5 GHBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCC2 ZINC000809559807 887540083 /nfs/dbraw/zinc/54/00/83/887540083.db2.gz AZZWUUXIDFPYSG-JKSUJKDBSA-N 0 3 381.860 3.514 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(Br)cc2Cl)cc1 ZINC000809732597 887712669 /nfs/dbraw/zinc/71/26/69/887712669.db2.gz GJGMNJUHGLPSBZ-HNNXBMFYSA-N 0 3 385.645 3.834 20 5 GHBDHN C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)N(C)Cc1ccccc1 ZINC000809919255 888002303 /nfs/dbraw/zinc/00/23/03/888002303.db2.gz ZAMAZBOWZSVQSH-CYBMUJFWSA-N 0 3 376.844 3.890 20 5 GHBDHN COc1ccc(OC)c([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000194365089 888271608 /nfs/dbraw/zinc/27/16/08/888271608.db2.gz IGCAMKNGIUKIRE-CQSZACIVSA-N 0 3 387.436 3.600 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000811474027 889659502 /nfs/dbraw/zinc/65/95/02/889659502.db2.gz CFNCZCYSKMJASO-VIFPVBQESA-N 0 3 386.201 3.875 20 5 GHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000812840264 891028630 /nfs/dbraw/zinc/02/86/30/891028630.db2.gz GZBDZXNDQLHGPT-DOEAQHAXSA-N 0 3 377.441 3.655 20 5 GHBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1nc2ccccc2s1 ZINC000877047437 893456748 /nfs/dbraw/zinc/45/67/48/893456748.db2.gz ZNQBUBUTDROLFY-CYBMUJFWSA-N 0 3 383.477 3.919 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000565444619 895630354 /nfs/dbraw/zinc/63/03/54/895630354.db2.gz LBESVWDUGQEBIP-FUHWJXTLSA-N 0 3 382.464 3.996 20 5 GHBDHN COc1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1OC1CCCC1 ZINC000819070682 896386401 /nfs/dbraw/zinc/38/64/01/896386401.db2.gz YVRLYWNRUZYSQC-LJQANCHMSA-N 0 3 386.448 3.748 20 5 GHBDHN CCc1ccc(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)cc1[N+](=O)[O-] ZINC001136213177 896592988 /nfs/dbraw/zinc/59/29/88/896592988.db2.gz CCVUERRQPBCBSM-UHFFFAOYSA-N 0 3 396.491 3.547 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000567137875 896905134 /nfs/dbraw/zinc/90/51/34/896905134.db2.gz YNGDILSOIZGUGL-QRWLVFNGSA-N 0 3 399.466 3.791 20 5 GHBDHN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CNC4)cc2[N+](=O)[O-])C1 ZINC000567463691 897180200 /nfs/dbraw/zinc/18/02/00/897180200.db2.gz YXCGPYOGMFBHPZ-GJZGRUSLSA-N 0 3 394.475 3.933 20 5 GHBDHN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000822426378 898363547 /nfs/dbraw/zinc/36/35/47/898363547.db2.gz FMFXSJDMGUXCEI-HNAYVOBHSA-N 0 3 385.851 3.595 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000843860155 900257560 /nfs/dbraw/zinc/25/75/60/900257560.db2.gz XCGACVMKKCDXHA-OAQYLSRUSA-N 0 3 385.439 3.827 20 5 GHBDHN CC(C)n1ncc2cc(C(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])cnc21 ZINC000845873812 902475206 /nfs/dbraw/zinc/47/52/06/902475206.db2.gz WRSUFUIALDCAQC-SJKOYZFVSA-N 0 3 386.383 3.715 20 5 GHBDHN Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873779 902475226 /nfs/dbraw/zinc/47/52/26/902475226.db2.gz VYFJBTHMLZWFLX-MGPUTAFESA-N 0 3 391.443 3.787 20 5 GHBDHN COc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])ccc1OC(F)F ZINC000845873648 902475532 /nfs/dbraw/zinc/47/55/32/902475532.db2.gz VOFVOTWEAHDFKR-MGPLVRAMSA-N 0 3 399.321 3.999 20 5 GHBDHN CCOCc1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845881500 902485558 /nfs/dbraw/zinc/48/55/58/902485558.db2.gz LKYCPRMOCYCREP-ABAIWWIYSA-N 0 3 382.413 3.690 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)Cn1ncc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845883485 902486427 /nfs/dbraw/zinc/48/64/27/902486427.db2.gz TXSCYBZLCXGETF-LPMFXHHGSA-N 0 3 385.395 3.761 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)OCc1ccc(F)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882054 902486628 /nfs/dbraw/zinc/48/66/28/902486628.db2.gz NRWJJWWIJRRCLP-VBHSOAQHSA-N 0 3 379.359 3.820 20 5 GHBDHN CCOC(=O)Oc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845884382 902489557 /nfs/dbraw/zinc/48/95/57/902489557.db2.gz YQIJTMDHTBBBEM-SJKOYZFVSA-N 0 3 391.351 3.924 20 5 GHBDHN CCOc1ccc([C@H](C)NCc2ccc(CN3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000153097160 904330149 /nfs/dbraw/zinc/33/01/49/904330149.db2.gz IDMJCQCBZRWKES-INIZCTEOSA-N 0 3 397.475 3.967 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903142 905925298 /nfs/dbraw/zinc/92/52/98/905925298.db2.gz FPFYOFNIJGJALA-QRQLOZEOSA-N 0 3 387.480 3.536 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904553 905928957 /nfs/dbraw/zinc/92/89/57/905928957.db2.gz OKMWTHDESHKSFM-NEWSRXKRSA-N 0 3 387.480 3.536 20 5 GHBDHN COc1cccc2c1CN(C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)C2 ZINC001173015934 906094433 /nfs/dbraw/zinc/09/44/33/906094433.db2.gz XCYQOVYGEGCBRW-UHFFFAOYSA-N 0 3 389.402 3.866 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CCOc3ccc(F)cc32)c1F ZINC001173176305 906253884 /nfs/dbraw/zinc/25/38/84/906253884.db2.gz HMCYWFJFOQEKLT-ABAIWWIYSA-N 0 3 378.375 3.926 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](c2ncccc2OC)C2CC2)c1F ZINC001173181422 906261205 /nfs/dbraw/zinc/26/12/05/906261205.db2.gz VPQKUZJLFLJQED-BLVKFPJESA-N 0 3 389.427 3.818 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001173223571 906304192 /nfs/dbraw/zinc/30/41/92/906304192.db2.gz AYRPZNBMFGFXFH-YWZLYKJASA-N 0 3 377.485 3.905 20 5 GHBDHN CCOC(=O)c1coc(C2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173232571 906318442 /nfs/dbraw/zinc/31/84/42/906318442.db2.gz RODBMOQCFWHRHK-CQSZACIVSA-N 0 3 387.436 3.570 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1cccc(Br)c1 ZINC001173212207 906328935 /nfs/dbraw/zinc/32/89/35/906328935.db2.gz XLRLMXHMRWMAPY-GFCCVEGCSA-N 0 3 377.238 3.761 20 5 GHBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000191091367 906598045 /nfs/dbraw/zinc/59/80/45/906598045.db2.gz LRMQYLLJMABFGB-UHFFFAOYSA-N 0 3 386.452 3.508 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181208904 906945493 /nfs/dbraw/zinc/94/54/93/906945493.db2.gz LIPYGKQQWQKOTB-UZLBHIALSA-N 0 3 383.448 3.599 20 5 GHBDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001174749532 907206467 /nfs/dbraw/zinc/20/64/67/907206467.db2.gz NHIOCKYCUWKPHJ-JOCHJYFZSA-N 0 3 383.492 3.816 20 5 GHBDHN CN1CCN(c2ccc(Nc3c(N)c4cccnc4c4ncccc43)cc2)CC1 ZINC001174814847 907212350 /nfs/dbraw/zinc/21/23/50/907212350.db2.gz SOLUNXCZRHPGSC-UHFFFAOYSA-N 0 3 384.487 3.861 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000193686064 908631902 /nfs/dbraw/zinc/63/19/02/908631902.db2.gz BJSKVRKSMKTYEH-SFHVURJKSA-N 0 3 391.855 3.863 20 5 GHBDHN Cc1cc(F)cc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000246132457 910122122 /nfs/dbraw/zinc/12/21/22/910122122.db2.gz VJHGSHWFWRGUDI-FZKQIMNGSA-N 0 3 391.468 3.917 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC2(Cc3cccc(F)c3)CCOCC2)c([N+](=O)[O-])c1 ZINC000292990252 915938227 /nfs/dbraw/zinc/93/82/27/915938227.db2.gz MBUOGRGMEYFTTG-UHFFFAOYSA-N 0 3 389.383 3.524 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCC[S@@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116920387 919524759 /nfs/dbraw/zinc/52/47/59/919524759.db2.gz OEWALRDSBDSLPH-MHZLTWQESA-N 0 3 389.521 4.000 20 5 GHBDHN CC(C)CN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000297855741 919884546 /nfs/dbraw/zinc/88/45/46/919884546.db2.gz SHLQFEYDRKIHDY-UHFFFAOYSA-N 0 3 387.402 3.806 20 5 GHBDHN CC(=O)c1ccc(N2CCCN(CCCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000725792096 926439831 /nfs/dbraw/zinc/43/98/31/926439831.db2.gz UQXMHUJVENZMAI-UHFFFAOYSA-N 0 3 381.476 3.942 20 5 GHBDHN Cc1nn(CN2CCC[C@@H](Cc3ccc(C)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749951068 927367228 /nfs/dbraw/zinc/36/72/28/927367228.db2.gz XTNXMUAVQNAOPI-SFHVURJKSA-N 0 3 379.464 3.869 20 5 GHBDHN CCCC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000544573507 929298817 /nfs/dbraw/zinc/29/88/17/929298817.db2.gz SQFSEGMXDHCFCJ-IBGZPJMESA-N 0 3 376.478 3.890 20 5 GHBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000546058870 929812985 /nfs/dbraw/zinc/81/29/85/929812985.db2.gz DSZJIBBHFROIAF-PXNSSMCTSA-N 0 3 390.411 3.810 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000469424393 929874100 /nfs/dbraw/zinc/87/41/00/929874100.db2.gz MZOGMQYKPHTVON-HXUWFJFHSA-N 0 3 398.507 3.893 20 5 GHBDHN O=C(CCN1CCC[C@@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000782542066 931262779 /nfs/dbraw/zinc/26/27/79/931262779.db2.gz JVRRDDODAKJEIU-NRFANRHFSA-N 0 3 399.422 3.584 20 5 GHBDHN CCNc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000797080911 932175100 /nfs/dbraw/zinc/17/51/00/932175100.db2.gz JHVLAKWZKHVHIU-YLJYHZDGSA-N 0 3 394.475 3.783 20 5 GHBDHN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(CC(F)(F)F)CC1 ZINC000559234775 932538992 /nfs/dbraw/zinc/53/89/92/932538992.db2.gz OFUKLPIIRMMMSD-SNVBAGLBSA-N 0 3 381.345 3.625 20 5 GHBDHN COCCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCSC1 ZINC000559247816 932548889 /nfs/dbraw/zinc/54/88/89/932548889.db2.gz JBQQZQTWSAXQKP-AWEZNQCLSA-N 0 3 378.416 3.958 20 5 GHBDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001123268116 935135321 /nfs/dbraw/zinc/13/53/21/935135321.db2.gz LGAUWDZGFDFHDR-UHFFFAOYSA-N 0 3 386.452 3.508 20 5 GHBDHN COc1ccc(CN2CCCC[C@@H]2CN(C)c2ncc([N+](=O)[O-])cc2C)cc1 ZINC001156292545 1032961094 /nfs/dbraw/zinc/96/10/94/1032961094.db2.gz OEHVORNFOBVSLA-GOSISDBHSA-N 0 3 384.480 3.798 20 5 GHBDHN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(Cc2ccccc2)CC1 ZINC000803362468 1021590928 /nfs/dbraw/zinc/59/09/28/1021590928.db2.gz GNGWCYHKEHSHSG-UHFFFAOYSA-N 0 3 390.386 3.828 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000754272622 1022575126 /nfs/dbraw/zinc/57/51/26/1022575126.db2.gz WOTYVHLECIOALO-JQIJEIRASA-N 0 3 385.439 3.728 20 5 GHBDHN Cc1cc([C@@H](N)CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(Cl)n1 ZINC000831428099 1024557343 /nfs/dbraw/zinc/55/73/43/1024557343.db2.gz ZKRTUWLMSRXEBF-INIZCTEOSA-N 0 3 388.855 3.533 20 5 GHBDHN CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000839601006 1026099322 /nfs/dbraw/zinc/09/93/22/1026099322.db2.gz IUYMADIDZWVZOS-RTBURBONSA-N 0 3 391.855 3.535 20 5 GHBDHN C[C@@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165202894 1026664596 /nfs/dbraw/zinc/66/45/96/1026664596.db2.gz QDWNOSZEYJCJBD-KNJKRIMISA-N 0 3 395.507 3.621 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H](c2ccccc2)N2CCCC2)cc1OC ZINC001166910197 1027148765 /nfs/dbraw/zinc/14/87/65/1027148765.db2.gz MDCSDIMPCIKOQJ-LJQANCHMSA-N 0 3 399.447 3.639 20 5 GHBDHN CC(C)c1ccc(CNCCOCCN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001203173837 1027222225 /nfs/dbraw/zinc/22/22/25/1027222225.db2.gz DUEDZTVTQSTVOM-UHFFFAOYSA-N 0 3 395.500 3.691 20 5 GHBDHN C[C@H](NC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000840763398 1027805957 /nfs/dbraw/zinc/80/59/57/1027805957.db2.gz GBIYZTKGGLWNRX-INIZCTEOSA-N 0 3 398.532 3.785 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1 ZINC001213696427 1028337055 /nfs/dbraw/zinc/33/70/55/1028337055.db2.gz WLNZUCNTOXXEPB-UHFFFAOYSA-N 0 3 393.325 3.787 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001461565794 1069613275 /nfs/dbraw/zinc/61/32/75/1069613275.db2.gz RXYRUGPPFGMRJZ-UHFFFAOYSA-N 0 3 396.491 3.649 20 5 GHBDHN c1cnc2c(c1)ccc1ccc(-c3noc(-c4ccc5c(n4)CCNC5)n3)nc12 ZINC001217493697 1030439504 /nfs/dbraw/zinc/43/95/04/1030439504.db2.gz WLGPAKYVBSATIH-UHFFFAOYSA-N 0 3 380.411 3.541 20 5 GHBDHN Cc1ccc(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001225059967 1031235027 /nfs/dbraw/zinc/23/50/27/1031235027.db2.gz PVPUVBIOHJJFLG-UHFFFAOYSA-N 0 3 396.491 3.539 20 5 GHBDHN CCOc1cc(NC(=O)N(CCN(C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC001219317764 1031354773 /nfs/dbraw/zinc/35/47/73/1031354773.db2.gz LRVFPJIFQIUAHU-UHFFFAOYSA-N 0 3 392.481 3.651 20 5 GHBDHN CCc1noc([C@@H]2CC[C@@H](NCc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC001461795826 1069751789 /nfs/dbraw/zinc/75/17/89/1069751789.db2.gz DXGRMVOPXCSTGU-ZYHUDNBSSA-N 0 3 382.367 3.568 20 5 GHBDHN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001229248263 1033367364 /nfs/dbraw/zinc/36/73/64/1033367364.db2.gz SFKLTEDYQITZLH-ITGUQSILSA-N 0 3 397.269 3.954 20 5 GHBDHN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001229248260 1033367534 /nfs/dbraw/zinc/36/75/34/1033367534.db2.gz SFKLTEDYQITZLH-CLLJXQQHSA-N 0 3 397.269 3.954 20 5 GHBDHN Cc1cc(=O)oc2c1ccc(O[C@H]1CCN(Cc3ccccc3)C1)c2[N+](=O)[O-] ZINC001229941393 1033805118 /nfs/dbraw/zinc/80/51/18/1033805118.db2.gz ABWCRWPHZDDYHT-INIZCTEOSA-N 0 3 380.400 3.663 20 5 GHBDHN C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@](C)(O)c1ccccc1 ZINC001206517353 1033886219 /nfs/dbraw/zinc/88/62/19/1033886219.db2.gz RGGNVRTXARDNQZ-ZUZCIYMTSA-N 0 3 385.283 3.805 20 5 GHBDHN Cc1nc2c([nH]1)CCN(C(=O)[C@@H](N)Cc1c3ccccc3cc3ccccc31)CC2 ZINC001158347382 1034038908 /nfs/dbraw/zinc/03/89/08/1034038908.db2.gz JGFGVMKDMPCGLQ-QFIPXVFZSA-N 0 3 398.510 3.522 20 5 GHBDHN O=[N+]([O-])c1cccc2ncnc(O[C@H]3[C@@H]4CC[C@H]3CN(Cc3ccccc3)C4)c21 ZINC001231055143 1034367937 /nfs/dbraw/zinc/36/79/37/1034367937.db2.gz DPPNVMUHPJHGCR-LFUKPOHLSA-N 0 3 390.443 3.827 20 5 GHBDHN CCN(CC)C(=O)NC1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232228603 1035173068 /nfs/dbraw/zinc/17/30/68/1035173068.db2.gz QTKOAZIRNVUBEE-UHFFFAOYSA-N 0 3 391.519 3.799 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001254553760 1040322262 /nfs/dbraw/zinc/32/22/62/1040322262.db2.gz YRFRYKDEUDVAHV-FHLIZLRMSA-N 0 3 375.469 3.610 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cn(Cc3cccc(Cl)c3)cn1)C2 ZINC001254585806 1040360113 /nfs/dbraw/zinc/36/01/13/1040360113.db2.gz GNRIIJIMGJOELH-SFHVURJKSA-N 0 3 382.851 3.750 20 5 GHBDHN CCC(=O)N(c1ccccc1)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600242 1040371120 /nfs/dbraw/zinc/37/11/20/1040371120.db2.gz RDCKHKBUNBOULM-QFIPXVFZSA-N 0 3 393.487 3.970 20 5 GHBDHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602301 1040372959 /nfs/dbraw/zinc/37/29/59/1040372959.db2.gz CVQIWUBXQNLSHQ-JHOJWFKBSA-N 0 3 399.535 3.857 20 5 GHBDHN CC[C@H](C)N[C@H](CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC001307118508 1049086140 /nfs/dbraw/zinc/08/61/40/1049086140.db2.gz LPSCCNVBQCERPL-IRLXHUAMSA-N 0 3 387.436 3.915 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC001307898299 1049675764 /nfs/dbraw/zinc/67/57/64/1049675764.db2.gz WVEJDSCKSSFBLH-LJQANCHMSA-N 0 3 376.840 3.611 20 5 GHBDHN CC[C@@]1(Cc2ccccc2)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307918505 1049694778 /nfs/dbraw/zinc/69/47/78/1049694778.db2.gz JRYMOHIZOJQGGO-QHCPKHFHSA-N 0 3 393.487 3.971 20 5 GHBDHN C[C@](CO)(Cc1ccccc1F)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001308118989 1049862779 /nfs/dbraw/zinc/86/27/79/1049862779.db2.gz XMDALGNNNIKFCY-QGZVFWFLSA-N 0 3 397.244 3.580 20 5 GHBDHN COc1cc(CNCCCc2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308477062 1049985135 /nfs/dbraw/zinc/98/51/35/1049985135.db2.gz BGVOYRWUVFPWOL-UHFFFAOYSA-N 0 3 388.342 3.860 20 5 GHBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC[C@H]2N1 ZINC001330864946 1051133087 /nfs/dbraw/zinc/13/30/87/1051133087.db2.gz DFAATZLHSDODNH-MLGOLLRUSA-N 0 3 389.839 3.609 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001310945762 1051724976 /nfs/dbraw/zinc/72/49/76/1051724976.db2.gz XUKOUVLZZKUBKR-YJBOKZPZSA-N 0 3 398.463 3.636 20 5 GHBDHN COc1ccc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001345727739 1055225712 /nfs/dbraw/zinc/22/57/12/1055225712.db2.gz LRPRINSFCKUVRU-MRXNPFEDSA-N 0 3 398.463 3.732 20 5 GHBDHN CCCN1CCN(c2ccccc2CN2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001319716490 1055420444 /nfs/dbraw/zinc/42/04/44/1055420444.db2.gz VCLYVLMIWJAYTF-UHFFFAOYSA-N 0 3 380.492 3.643 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1 ZINC001354517176 1056734319 /nfs/dbraw/zinc/73/43/19/1056734319.db2.gz CFGDTXONBSHMEP-HNNXBMFYSA-N 0 3 383.473 3.942 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@@H]3CCCN4C)c([N+](=O)[O-])c2)cc1 ZINC001472867985 1056975598 /nfs/dbraw/zinc/97/55/98/1056975598.db2.gz WHCWFFOCRDWBBH-MOPGFXCFSA-N 0 3 394.475 3.828 20 5 GHBDHN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001472868322 1056976905 /nfs/dbraw/zinc/97/69/05/1056976905.db2.gz WYTNDCWXLHYNBX-MRXNPFEDSA-N 0 3 384.823 3.653 20 5 GHBDHN CCN1CCN(Cc2ccc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)cc2)CC1 ZINC001441314292 1058748038 /nfs/dbraw/zinc/74/80/38/1058748038.db2.gz OJZBSPSAFAKBJX-UHFFFAOYSA-N 0 3 396.491 3.601 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCOC2CCOCC2)o1 ZINC001339912713 1059552791 /nfs/dbraw/zinc/55/27/91/1059552791.db2.gz GATGWEGEQWITGQ-UHFFFAOYSA-N 0 3 380.828 3.793 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001454409354 1061769197 /nfs/dbraw/zinc/76/91/97/1061769197.db2.gz VJIDXFTZLLZHPD-BEFAXECRSA-N 0 3 392.459 3.717 20 5 GHBDHN CCN1CCC[C@H](NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)C1 ZINC001456157726 1062519884 /nfs/dbraw/zinc/51/98/84/1062519884.db2.gz MYNLISBKMBVKOS-INIZCTEOSA-N 0 3 379.526 3.947 20 5 GHBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001459895358 1064261223 /nfs/dbraw/zinc/26/12/23/1064261223.db2.gz WWPIDOFOLWWHPB-XJKSGUPXSA-N 0 3 385.258 3.569 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1ccsc1 ZINC001464136663 1064849483 /nfs/dbraw/zinc/84/94/83/1064849483.db2.gz AWPBAYGAFJIUAF-KRWDZBQOSA-N 0 3 379.457 3.917 20 5 GHBDHN O=C1NCCC12CCN(Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CC2 ZINC001352878244 1065403779 /nfs/dbraw/zinc/40/37/79/1065403779.db2.gz QUBNFRZGEQAAFZ-UHFFFAOYSA-N 0 3 389.839 3.610 20 5 GHBDHN Cc1ccc(CN2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001460693392 1069090201 /nfs/dbraw/zinc/09/02/01/1069090201.db2.gz LPXWQOYZJTXBIP-AUSIDOKSSA-N 0 3 395.503 3.769 20 5 GHBDHN CN1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472028125 1073309837 /nfs/dbraw/zinc/30/98/37/1073309837.db2.gz ABCAWHKIYKVDGE-GOSISDBHSA-N 0 3 385.489 3.816 20 5 GHBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccc(Cl)cc1 ZINC001472713200 1073631079 /nfs/dbraw/zinc/63/10/79/1073631079.db2.gz DYRVMXPWMSDMEO-NSHDSACASA-N 0 3 391.781 3.715 20 5 GHBDHN COC(=O)CC1(NCc2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC001473251083 1073888977 /nfs/dbraw/zinc/88/89/77/1073888977.db2.gz IFVVSTNVQRPBAA-UHFFFAOYSA-N 0 3 385.258 3.713 20 5 GHBDHN COc1cccc([C@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CCN2)c1 ZINC001473738235 1074117402 /nfs/dbraw/zinc/11/74/02/1074117402.db2.gz FADGVIVVIOBOFO-GOSISDBHSA-N 0 3 395.381 3.769 20 5 GHBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@H]([C@@H]3CCOC3)C2)c(Br)c1 ZINC001473869681 1074183182 /nfs/dbraw/zinc/18/31/82/1074183182.db2.gz AXIQAGUXRSPDIL-DZGCQCFKSA-N 0 3 383.286 3.996 20 5 GHBDHN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)[C@H]1C ZINC001473880800 1074188912 /nfs/dbraw/zinc/18/89/12/1074188912.db2.gz BXPWLBMOKTXQHQ-MMMWYMCRSA-N 0 3 378.469 3.792 20 5 GHBDHN Cc1ccc(Br)c(F)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001473981738 1074225669 /nfs/dbraw/zinc/22/56/69/1074225669.db2.gz PKXULSXMAFCDNH-UHFFFAOYSA-N 0 3 383.217 3.973 20 5 GHBDHN CCC[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC=CCC1 ZINC001500035224 1079571555 /nfs/dbraw/zinc/57/15/55/1079571555.db2.gz MALUYTLJUYWDBO-QGZVFWFLSA-N 0 3 398.511 3.740 20 5 GHBDHN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824545498 607816858 /nfs/dbraw/zinc/81/68/58/607816858.db2.gz CUJYZCCSNMRIBJ-FNHZYXHNSA-N 0 3 392.463 3.837 20 5 GHBDHN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824545498 607816859 /nfs/dbraw/zinc/81/68/59/607816859.db2.gz CUJYZCCSNMRIBJ-FNHZYXHNSA-N 0 3 392.463 3.837 20 5 GHBDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180652499 837422886 /nfs/dbraw/zinc/42/28/86/837422886.db2.gz PCMANYSWEVWMOE-UZLBHIALSA-N 0 3 396.447 3.534 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000411175836 836077009 /nfs/dbraw/zinc/07/70/09/836077009.db2.gz FBZMUPVVDPYUEH-GOSISDBHSA-N 0 3 387.411 3.908 20 5 GHBDHN CC(C)Oc1cc(CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000411400751 836152044 /nfs/dbraw/zinc/15/20/44/836152044.db2.gz KYFDRXAQKPCTGH-UHFFFAOYSA-N 0 3 398.463 3.770 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000134875876 836157063 /nfs/dbraw/zinc/15/70/63/836157063.db2.gz JKUKQUDSRCPXHX-ZBFHGGJFSA-N 0 3 385.489 3.710 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411595245 836228548 /nfs/dbraw/zinc/22/85/48/836228548.db2.gz XUZRDNUYPDWQRZ-DZLUEKEQSA-N 0 3 379.460 3.650 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000065931785 836256461 /nfs/dbraw/zinc/25/64/61/836256461.db2.gz JYHUGXGGPRHDOL-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000175371878 836301503 /nfs/dbraw/zinc/30/15/03/836301503.db2.gz VFEHOAVMZVKUDK-QWXGXRTQSA-N 0 3 376.478 3.794 20 5 GHBDHN C/C=C/c1ccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000180402732 837209266 /nfs/dbraw/zinc/20/92/66/837209266.db2.gz OXBIVQZBHGUMMY-UVKZZVNJSA-N 0 3 386.448 3.727 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000613188948 837376545 /nfs/dbraw/zinc/37/65/45/837376545.db2.gz PRXAXFHBEWJQKC-MJGOQNOKSA-N 0 3 397.475 3.519 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(C)c2)CC1 ZINC000025185141 844300052 /nfs/dbraw/zinc/30/00/52/844300052.db2.gz PGXYXKOXHFZONB-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189607194 838317928 /nfs/dbraw/zinc/31/79/28/838317928.db2.gz FDGYIGPWAYZEKC-XJKSGUPXSA-N 0 3 376.375 3.567 20 5 GHBDHN CSc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000188016755 838479361 /nfs/dbraw/zinc/47/93/61/838479361.db2.gz UNFCRWKDLUUOTN-KRWDZBQOSA-N 0 3 385.489 3.884 20 5 GHBDHN CN(CCOc1ccccc1F)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104663659 838833984 /nfs/dbraw/zinc/83/39/84/838833984.db2.gz AVVARKJARLVVSU-UHFFFAOYSA-N 0 3 385.395 3.942 20 5 GHBDHN CN(CCOc1ccc(F)cc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104663638 838834963 /nfs/dbraw/zinc/83/49/63/838834963.db2.gz CSXMBJYOICHSAX-UHFFFAOYSA-N 0 3 385.395 3.942 20 5 GHBDHN C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190050462 838916512 /nfs/dbraw/zinc/91/65/12/838916512.db2.gz KBLDOJDBKBNJHP-KKSFZXQISA-N 0 3 392.459 3.650 20 5 GHBDHN CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000121179825 838994503 /nfs/dbraw/zinc/99/45/03/838994503.db2.gz VDJXXWHBDJVLFC-PKOBYXMFSA-N 0 3 395.459 3.750 20 5 GHBDHN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1C ZINC000064916805 839157657 /nfs/dbraw/zinc/15/76/57/839157657.db2.gz XJVBRDGFYRBFQO-KGLIPLIRSA-N 0 3 388.493 3.711 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549251086 839573931 /nfs/dbraw/zinc/57/39/31/839573931.db2.gz MHIOSISIKTVOAY-KRWDZBQOSA-N 0 3 376.844 3.981 20 5 GHBDHN COc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000511682880 840517426 /nfs/dbraw/zinc/51/74/26/840517426.db2.gz UJIQHFWPZMWULX-FQEVSTJZSA-N 0 3 397.475 3.806 20 5 GHBDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000477012535 840684660 /nfs/dbraw/zinc/68/46/60/840684660.db2.gz SMBSURQDAURHAU-STQMWFEESA-N 0 3 375.856 3.971 20 5 GHBDHN Cc1cc(NC[C@H](c2cccs2)N2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302127534 861212887 /nfs/dbraw/zinc/21/28/87/861212887.db2.gz BEXAQOJSWOIRPA-LJQANCHMSA-N 0 3 398.488 3.998 20 5 GHBDHN Cc1cc(NCc2ccccc2CN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302199798 861235290 /nfs/dbraw/zinc/23/52/90/861235290.db2.gz UTZZJHYPHWPDMT-UHFFFAOYSA-N 0 3 392.459 3.896 20 5 GHBDHN CCC(=O)N1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000134543931 841777582 /nfs/dbraw/zinc/77/75/82/841777582.db2.gz CHIFYMDVVXGWTO-INIZCTEOSA-N 0 3 387.411 3.627 20 5 GHBDHN CCOC(=O)c1csc(CCN[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)n1 ZINC000276453718 841969416 /nfs/dbraw/zinc/96/94/16/841969416.db2.gz BBUZJGCBXZJASI-LBPRGKRZSA-N 0 3 393.465 3.520 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001125536960 842328995 /nfs/dbraw/zinc/32/89/95/842328995.db2.gz VBFLWFOIEZIOST-FQEVSTJZSA-N 0 3 387.524 3.888 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000049799234 842567895 /nfs/dbraw/zinc/56/78/95/842567895.db2.gz DSNSUNCOVPQNJQ-HXUWFJFHSA-N 0 3 384.480 3.602 20 5 GHBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000408351873 842742953 /nfs/dbraw/zinc/74/29/53/842742953.db2.gz JQEXDLZCLPGPJT-JHJVBQTASA-N 0 3 383.290 3.594 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000512195735 843030408 /nfs/dbraw/zinc/03/04/08/843030408.db2.gz MBJTVLQXCOWOSE-QGZVFWFLSA-N 0 3 385.247 3.994 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000064236918 843233073 /nfs/dbraw/zinc/23/30/73/843233073.db2.gz NQDFLFHCTCSYSF-FQEVSTJZSA-N 0 3 382.464 3.540 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000568565624 843330360 /nfs/dbraw/zinc/33/03/60/843330360.db2.gz AGXOCSCCVMBHDC-PKOBYXMFSA-N 0 3 375.856 3.792 20 5 GHBDHN CC(C)N(C)C(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000091952523 843689103 /nfs/dbraw/zinc/68/91/03/843689103.db2.gz CKSZJBUVLQFNQI-UHFFFAOYSA-N 0 3 385.464 3.934 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429894292 843847354 /nfs/dbraw/zinc/84/73/54/843847354.db2.gz CGISYONWADVJPH-WMZOPIPTSA-N 0 3 381.476 3.824 20 5 GHBDHN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000512892968 843945685 /nfs/dbraw/zinc/94/56/85/843945685.db2.gz ZCEDSPXOIXJWQJ-MRXNPFEDSA-N 0 3 398.463 3.625 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000473516423 844636650 /nfs/dbraw/zinc/63/66/50/844636650.db2.gz BOMWBALWUDUOHS-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN C/C(=C/C(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785099945 845228542 /nfs/dbraw/zinc/22/85/42/845228542.db2.gz ZNAIZHZBPWUKAG-VLGSPTGOSA-N 0 3 379.460 3.733 20 5 GHBDHN C[C@H](OC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511082798 846461893 /nfs/dbraw/zinc/46/18/93/846461893.db2.gz UTLBCNGATHAGNI-KXBFYZLASA-N 0 3 392.883 3.861 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000555719921 861688546 /nfs/dbraw/zinc/68/85/46/861688546.db2.gz OWYKANQSFSKKNR-KKSFZXQISA-N 0 3 399.491 3.906 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000511091521 846629433 /nfs/dbraw/zinc/62/94/33/846629433.db2.gz LYJPZLNCZYEFOZ-KNQAVFIVSA-N 0 3 384.476 3.524 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccco1 ZINC000599834304 861763311 /nfs/dbraw/zinc/76/33/11/861763311.db2.gz FMTLGYCVFHMCJI-DYVFJYSZSA-N 0 3 397.435 3.987 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000501813610 847194025 /nfs/dbraw/zinc/19/40/25/847194025.db2.gz PFUQXWAZKYCVOM-NRFANRHFSA-N 0 3 381.476 3.716 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000731679083 861808063 /nfs/dbraw/zinc/80/80/63/861808063.db2.gz YIYLZBMAIUWAHZ-UHFFFAOYSA-N 0 3 383.360 3.932 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503525401 847769147 /nfs/dbraw/zinc/76/91/47/847769147.db2.gz DTSDIBSXAZKFPS-HKUYNNGSSA-N 0 3 383.448 3.569 20 5 GHBDHN COc1cc(CN(C)C[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128112770 848072257 /nfs/dbraw/zinc/07/22/57/848072257.db2.gz VQNDIIOXFNAPHQ-IBGZPJMESA-N 0 3 386.448 3.793 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000057005348 861863785 /nfs/dbraw/zinc/86/37/85/861863785.db2.gz OWFGSJBRGHAXDO-QGZVFWFLSA-N 0 3 376.482 3.539 20 5 GHBDHN Cc1cc(-c2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc([N+](=O)[O-])c1 ZINC000582827458 848491962 /nfs/dbraw/zinc/49/19/62/848491962.db2.gz OQFZBISOJFQKEA-MRXNPFEDSA-N 0 3 379.420 3.728 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600470098 862035700 /nfs/dbraw/zinc/03/57/00/862035700.db2.gz FMWKZVAHKCYHRQ-MRXNPFEDSA-N 0 3 377.510 3.842 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000162950550 849738134 /nfs/dbraw/zinc/73/81/34/849738134.db2.gz UJMMMSANWQXCTB-HOTGVXAUSA-N 0 3 397.475 3.972 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000061502986 862059536 /nfs/dbraw/zinc/05/95/36/862059536.db2.gz XUWZPOUFVVQTRV-NRFANRHFSA-N 0 3 396.491 3.659 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@@](C)(c3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000435031802 850014549 /nfs/dbraw/zinc/01/45/49/850014549.db2.gz BNSTZPZOQDWZJX-JOCHJYFZSA-N 0 3 398.459 3.619 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000439650066 850226658 /nfs/dbraw/zinc/22/66/58/850226658.db2.gz QGYYIZGCBSPAHY-FHLIZLRMSA-N 0 3 375.469 3.558 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)NCc1ccccc1 ZINC000504906582 850438219 /nfs/dbraw/zinc/43/82/19/850438219.db2.gz ZYBXVBGXEQEURH-NVXWUHKLSA-N 0 3 387.505 3.760 20 5 GHBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000504928111 850465581 /nfs/dbraw/zinc/46/55/81/850465581.db2.gz ZHNJXRINMWNMBV-YLJYHZDGSA-N 0 3 399.491 3.545 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000487193372 850550592 /nfs/dbraw/zinc/55/05/92/850550592.db2.gz ZHYZJPTWYIRQJE-ACJLOTCBSA-N 0 3 375.856 3.978 20 5 GHBDHN CC(C)(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000425012812 850864004 /nfs/dbraw/zinc/86/40/04/850864004.db2.gz PXKUBHANQGCSNF-GHTZIAJQSA-N 0 3 393.487 3.605 20 5 GHBDHN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](C)C1 ZINC000436113436 851241521 /nfs/dbraw/zinc/24/15/21/851241521.db2.gz YVSDYONLNTYTSF-GJZGRUSLSA-N 0 3 395.478 3.671 20 5 GHBDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000163045905 862257009 /nfs/dbraw/zinc/25/70/09/862257009.db2.gz IGZHANOTMJSWPP-SLEUVZQESA-N 0 3 389.839 3.730 20 5 GHBDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2ccccc21 ZINC000604532769 862284823 /nfs/dbraw/zinc/28/48/23/862284823.db2.gz GGMBHANBMHCDED-CYBMUJFWSA-N 0 3 377.391 3.737 20 5 GHBDHN Cc1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489208163 852118862 /nfs/dbraw/zinc/11/88/62/852118862.db2.gz ULPSYDFNEZQUKC-IBGZPJMESA-N 0 3 395.438 3.636 20 5 GHBDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000436831923 852381391 /nfs/dbraw/zinc/38/13/91/852381391.db2.gz UPSUDINGBHEJIV-LJQANCHMSA-N 0 3 383.448 3.646 20 5 GHBDHN COc1cc(N[C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)cc(OC)c1 ZINC000490049545 852735661 /nfs/dbraw/zinc/73/56/61/852735661.db2.gz ODRVIWUBBDAEHH-QGZVFWFLSA-N 0 3 385.464 3.997 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000509585700 853016616 /nfs/dbraw/zinc/01/66/16/853016616.db2.gz OGAYURPCGYRRSA-MAUKXSAKSA-N 0 3 388.468 3.501 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000516854966 853071073 /nfs/dbraw/zinc/07/10/73/853071073.db2.gz GKJQUHOFVMPSNL-IBGZPJMESA-N 0 3 399.466 3.647 20 5 GHBDHN C[C@H](CO[C@H]1CCOC1)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000151242495 853195938 /nfs/dbraw/zinc/19/59/38/853195938.db2.gz JYOCNRLIVDSECM-APWZRJJASA-N 0 3 385.464 3.646 20 5 GHBDHN COC[C@@]1(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000519720229 853405121 /nfs/dbraw/zinc/40/51/21/853405121.db2.gz FGKBCXORLHQPLG-JOCHJYFZSA-N 0 3 384.476 3.922 20 5 GHBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000458883583 854411831 /nfs/dbraw/zinc/41/18/31/854411831.db2.gz CUTNMLLDUVWBOW-HNNXBMFYSA-N 0 3 388.443 3.568 20 5 GHBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000027742657 855072617 /nfs/dbraw/zinc/07/26/17/855072617.db2.gz NPRSGKMZYSFXHB-KRWDZBQOSA-N 0 3 396.491 3.811 20 5 GHBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)[C@H]2C1 ZINC000590444258 855423350 /nfs/dbraw/zinc/42/33/50/855423350.db2.gz NJWYCCWIBMTEAV-KDOFPFPSSA-N 0 3 383.473 3.522 20 5 GHBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000485023382 856006470 /nfs/dbraw/zinc/00/64/70/856006470.db2.gz IVTHZOWSRVSZLD-UHFFFAOYSA-N 0 3 385.489 3.914 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)CC[C@@H](O)c2ccccc2)cc(C(F)(F)F)c1 ZINC000905237689 856232804 /nfs/dbraw/zinc/23/28/04/856232804.db2.gz JQSZMYGCLOCLNS-ZWKOTPCHSA-N 0 3 398.381 3.578 20 5 GHBDHN Cc1ccc(N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c([N+](=O)[O-])c1 ZINC000856534690 881344976 /nfs/dbraw/zinc/34/49/76/881344976.db2.gz ASPGWNKTEOCJLO-IBGZPJMESA-N 0 3 384.480 3.796 20 5 GHBDHN CC(C)(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000544071671 856688068 /nfs/dbraw/zinc/68/80/68/856688068.db2.gz UFRALWPWHZOYGK-SFHVURJKSA-N 0 3 376.478 3.746 20 5 GHBDHN COC(=O)COc1ccc(CNC2(c3cccc(C)c3)CCC2)cc1[N+](=O)[O-] ZINC000592375914 856789123 /nfs/dbraw/zinc/78/91/23/856789123.db2.gz PCWFVGGDQRKBFZ-UHFFFAOYSA-N 0 3 384.432 3.624 20 5 GHBDHN COc1cc(CN[C@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000592380958 856825821 /nfs/dbraw/zinc/82/58/21/856825821.db2.gz WVOYBRUFSCMLIU-KOLCDFICSA-N 0 3 380.388 3.528 20 5 GHBDHN COc1ccc(OCCN2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000173357008 856884743 /nfs/dbraw/zinc/88/47/43/856884743.db2.gz DGRLQACRFCQIQB-UHFFFAOYSA-N 0 3 396.447 3.738 20 5 GHBDHN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173712928 857101557 /nfs/dbraw/zinc/10/15/57/857101557.db2.gz IBHGQXZIERPBRC-GOSISDBHSA-N 0 3 392.459 3.813 20 5 GHBDHN COc1ccc(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c(OC)c1OC ZINC000543031830 857962536 /nfs/dbraw/zinc/96/25/36/857962536.db2.gz GEDYREOOAOKRLS-UHFFFAOYSA-N 0 3 397.431 3.554 20 5 GHBDHN COC(=O)/C=C/c1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301844821 858218858 /nfs/dbraw/zinc/21/88/58/858218858.db2.gz SPZBKACUNYWPRR-XHHUKKHSSA-N 0 3 381.432 3.638 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3ccc(I)cc32)cc1 ZINC000595012014 858350265 /nfs/dbraw/zinc/35/02/65/858350265.db2.gz ARBPKMHANIFEBC-MRXNPFEDSA-N 0 3 394.212 3.977 20 5 GHBDHN COc1cc(OC)c(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)c(OC)c1 ZINC000595020995 858354222 /nfs/dbraw/zinc/35/42/22/858354222.db2.gz WHQUCZNTQSLKBH-CYBMUJFWSA-N 0 3 390.436 3.523 20 5 GHBDHN COc1cc(CNC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594984391 858357971 /nfs/dbraw/zinc/35/79/71/858357971.db2.gz HPAJIOJLJSKVLE-CYBMUJFWSA-N 0 3 384.301 3.679 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCc3ccccc3-n3ccnc32)n1 ZINC000596096591 858783262 /nfs/dbraw/zinc/78/32/62/858783262.db2.gz UWMDUIVRZYFKRZ-YQVWRLOYSA-N 0 3 392.463 3.738 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnccc1C(F)(F)F ZINC000596118011 858784332 /nfs/dbraw/zinc/78/43/32/858784332.db2.gz LXXNBVIOWBCCBR-NSHDSACASA-N 0 3 382.342 3.516 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856535395 881346153 /nfs/dbraw/zinc/34/61/53/881346153.db2.gz XQCKCDIBTXZNDN-LJQANCHMSA-N 0 3 384.480 3.796 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@@H](Oc3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC001170354053 881392292 /nfs/dbraw/zinc/39/22/92/881392292.db2.gz HOMCSXGDCZYCOM-VQIMIIECSA-N 0 3 385.464 3.781 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000601620844 859382341 /nfs/dbraw/zinc/38/23/41/859382341.db2.gz LOVUKYDQDCZPTD-GFCCVEGCSA-N 0 3 375.400 3.546 20 5 GHBDHN O=C(NC1CCCCC1)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543399297 859568199 /nfs/dbraw/zinc/56/81/99/859568199.db2.gz MNMKDQPHQCMFCD-UHFFFAOYSA-N 0 3 394.903 3.845 20 5 GHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026806 859750837 /nfs/dbraw/zinc/75/08/37/859750837.db2.gz KUESDKALNRAKLO-QRWLVFNGSA-N 0 3 375.469 3.989 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000602381768 860002796 /nfs/dbraw/zinc/00/27/96/860002796.db2.gz ILTHSUBSWDEBSO-GWCFXTLKSA-N 0 3 383.326 3.829 20 5 GHBDHN CCCc1noc([C@H]2CCCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)n1 ZINC001170352045 881498363 /nfs/dbraw/zinc/49/83/63/881498363.db2.gz KGFAQPBXXQLKIR-ZBFHGGJFSA-N 0 3 388.468 3.750 20 5 GHBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000727676515 860185642 /nfs/dbraw/zinc/18/56/42/860185642.db2.gz PPJCYCJRLGQWCG-SZRHCGQDSA-N 0 3 379.460 3.951 20 5 GHBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1 ZINC000019625514 860291664 /nfs/dbraw/zinc/29/16/64/860291664.db2.gz WDCSKYORDWEMRP-SUMWQHHRSA-N 0 3 387.436 3.680 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474594784 860434276 /nfs/dbraw/zinc/43/42/76/860434276.db2.gz GCJABSPHHGDTLE-GOSISDBHSA-N 0 3 382.464 3.950 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000330652759 860525538 /nfs/dbraw/zinc/52/55/38/860525538.db2.gz IXQBANRMUYPVEG-INIZCTEOSA-N 0 3 377.510 3.796 20 5 GHBDHN COc1ccc([C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000603474522 860736250 /nfs/dbraw/zinc/73/62/50/860736250.db2.gz CKMOJAJLTKCBKI-MRXNPFEDSA-N 0 3 379.844 3.980 20 5 GHBDHN COc1cc(CN[C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000185640794 861106665 /nfs/dbraw/zinc/10/66/65/861106665.db2.gz OSAUFYGVARLSTN-FZMZJTMJSA-N 0 3 394.374 3.859 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1F ZINC000594019685 863759019 /nfs/dbraw/zinc/75/90/19/863759019.db2.gz QQNQDCGSNOJZPL-MRXNPFEDSA-N 0 3 375.400 3.812 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1F ZINC000594019433 863759065 /nfs/dbraw/zinc/75/90/65/863759065.db2.gz LUPCJULNOHEEND-MRXNPFEDSA-N 0 3 375.400 3.812 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609859572 865109413 /nfs/dbraw/zinc/10/94/13/865109413.db2.gz IYXVOJGCJMUCAR-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N2CCCC2)cc1 ZINC000534221225 866329094 /nfs/dbraw/zinc/32/90/94/866329094.db2.gz RXKAWVNZVVRSPR-HXUWFJFHSA-N 0 3 392.459 3.951 20 5 GHBDHN CC[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)N1CCc2ccccc2C1 ZINC000478764948 866599509 /nfs/dbraw/zinc/59/95/09/866599509.db2.gz YJTPDSRTKHCVMS-FQEVSTJZSA-N 0 3 396.491 3.539 20 5 GHBDHN C[C@H](OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000920268860 882004849 /nfs/dbraw/zinc/00/48/49/882004849.db2.gz RHCKXCSKLIYHKM-BLLLJJGKSA-N 0 3 388.807 3.906 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475699139 882018197 /nfs/dbraw/zinc/01/81/97/882018197.db2.gz RYDYWCZIQIITDW-SFHVURJKSA-N 0 3 398.459 3.601 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000444611514 866948877 /nfs/dbraw/zinc/94/88/77/866948877.db2.gz RFIMYEQBQNRGER-UHFFFAOYSA-N 0 3 379.526 3.947 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOc3ccccc3C(F)(F)F)C2)nc1 ZINC000440494848 866995683 /nfs/dbraw/zinc/99/56/83/866995683.db2.gz AEYXANPMVJUWJB-ZDUSSCGKSA-N 0 3 396.369 3.574 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2ccccc2C(C)(C)C1 ZINC000535443997 868746460 /nfs/dbraw/zinc/74/64/60/868746460.db2.gz VIPIMTOCYCAELV-UHFFFAOYSA-N 0 3 383.448 3.725 20 5 GHBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029839414 869207635 /nfs/dbraw/zinc/20/76/35/869207635.db2.gz AXNHPSCMZOSLNL-UHFFFAOYSA-N 0 3 395.484 3.988 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440934748 869318515 /nfs/dbraw/zinc/31/85/15/869318515.db2.gz UKNCWJDUFGGRJX-CRAIPNDOSA-N 0 3 394.475 3.562 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000462503023 869565947 /nfs/dbraw/zinc/56/59/47/869565947.db2.gz QJDJWVUXAIGVHI-YLJYHZDGSA-N 0 3 383.492 3.800 20 5 GHBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000525267302 870272083 /nfs/dbraw/zinc/27/20/83/870272083.db2.gz MCSLBLRTDYTMOH-OAHLLOKOSA-N 0 3 387.402 3.608 20 5 GHBDHN CO[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538726582 870526166 /nfs/dbraw/zinc/52/61/66/870526166.db2.gz GSYUEESQCIJMQU-FQEVSTJZSA-N 0 3 378.432 3.668 20 5 GHBDHN CC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000540186131 870704317 /nfs/dbraw/zinc/70/43/17/870704317.db2.gz MQSFVRXZVVBQIA-PBASOCQRSA-N 0 3 379.460 3.793 20 5 GHBDHN CCN1CCN(C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461783627 870951977 /nfs/dbraw/zinc/95/19/77/870951977.db2.gz FRAFCXABESHHPH-ZDUSSCGKSA-N 0 3 388.434 3.608 20 5 GHBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2c(Br)cccc2Br)C1 ZINC001168992884 871073293 /nfs/dbraw/zinc/07/32/93/871073293.db2.gz LFVWDPHMQOKDTM-UWVGGRQHSA-N 0 3 392.091 3.747 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CN3CCCCC3)c3ccccc3)nc2c1 ZINC000618305206 871482542 /nfs/dbraw/zinc/48/25/42/871482542.db2.gz FZWZWLURKDJOTO-FQEVSTJZSA-N 0 3 379.464 3.788 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccccc2OC(F)(F)F)n1 ZINC000447536385 871801180 /nfs/dbraw/zinc/80/11/80/871801180.db2.gz MUNPLIZQECYMCV-KGLIPLIRSA-N 0 3 384.358 3.963 20 5 GHBDHN O=[N+]([O-])c1ccn(CCN2CCC(COc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000478019124 872327821 /nfs/dbraw/zinc/32/78/21/872327821.db2.gz ALBJVTPRCZNHQS-UHFFFAOYSA-N 0 3 399.278 3.889 20 5 GHBDHN COc1cc(CN2CCc3ccccc3CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000540916432 872496281 /nfs/dbraw/zinc/49/62/81/872496281.db2.gz PSRJBYYDSDMDDM-UHFFFAOYSA-N 0 3 392.402 3.848 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@H](CO)[C@H]2CCCO2)cc1 ZINC000447975519 872592711 /nfs/dbraw/zinc/59/27/11/872592711.db2.gz HEEKNNCUEVZCNJ-SJLPKXTDSA-N 0 3 392.839 3.670 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541058622 872813997 /nfs/dbraw/zinc/81/39/97/872813997.db2.gz UIECJWQRUCFTAE-GVDBMIGSSA-N 0 3 392.496 3.887 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182852582 872835917 /nfs/dbraw/zinc/83/59/17/872835917.db2.gz SJUKUTBVTNJGNH-AWEZNQCLSA-N 0 3 384.358 3.526 20 5 GHBDHN CC(C)(C)O[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001196123224 872909038 /nfs/dbraw/zinc/90/90/38/872909038.db2.gz DUSXTDYHNXJIEW-JKSUJKDBSA-N 0 3 395.887 3.903 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000463951616 872941499 /nfs/dbraw/zinc/94/14/99/872941499.db2.gz PBEZFMBDDSGMQT-QFBILLFUSA-N 0 3 382.464 3.854 20 5 GHBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000768554673 873383972 /nfs/dbraw/zinc/38/39/72/873383972.db2.gz MBULJBCFJWCMAG-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN CC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC001197959100 874140825 /nfs/dbraw/zinc/14/08/25/874140825.db2.gz KLJYQJWBEJASFN-INIZCTEOSA-N 0 3 378.400 3.871 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000449410561 874832909 /nfs/dbraw/zinc/83/29/09/874832909.db2.gz XNMRZBJJWYGMFZ-LFIBNONCSA-N 0 3 398.463 3.708 20 5 GHBDHN Cc1ccc(C[C@H](CO)CNCc2csc([N+](=O)[O-])c2)cc1Br ZINC000449596459 875099949 /nfs/dbraw/zinc/09/99/49/875099949.db2.gz BDHDNTUYAZHQGI-ZDUSSCGKSA-N 0 3 399.310 3.668 20 5 GHBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2csc([N+](=O)[O-])c2)CC1 ZINC000105464712 875299825 /nfs/dbraw/zinc/29/98/25/875299825.db2.gz RSJCZJIUMDBXNF-CQSZACIVSA-N 0 3 392.500 3.788 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000549936138 875985877 /nfs/dbraw/zinc/98/58/77/875985877.db2.gz FWYGXUKJWKQZAH-ZZXKWVIFSA-N 0 3 394.880 3.715 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000850459925 876941647 /nfs/dbraw/zinc/94/16/47/876941647.db2.gz KFCNGRNKVQEHJK-CYBMUJFWSA-N 0 3 379.457 3.701 20 5 GHBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850585637 877059091 /nfs/dbraw/zinc/05/90/91/877059091.db2.gz XRWDBIUWUGXXBJ-HWPZZCPQSA-N 0 3 384.354 3.795 20 5 GHBDHN CC(C)[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852731513 878561033 /nfs/dbraw/zinc/56/10/33/878561033.db2.gz XTWHFIKWOQKING-MOPGFXCFSA-N 0 3 388.855 3.972 20 5 GHBDHN CN1CCN(C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccccc2)CC1 ZINC000068910738 879240761 /nfs/dbraw/zinc/24/07/61/879240761.db2.gz IMFQVBRJEAODEK-NRFANRHFSA-N 0 3 391.475 3.544 20 5 GHBDHN Cc1cc([C@@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)ccc1F ZINC000538321323 879254215 /nfs/dbraw/zinc/25/42/15/879254215.db2.gz ZUICVXVVQKVWCN-NRFANRHFSA-N 0 3 383.423 3.672 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000531212835 879339610 /nfs/dbraw/zinc/33/96/10/879339610.db2.gz RDCREAVTFWJSOD-AUKZQPGHSA-N 0 3 383.448 3.773 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3cc(-n4ccnc4)cs3)CC2)cc1 ZINC000542467196 879431305 /nfs/dbraw/zinc/43/13/05/879431305.db2.gz RLZXUPHIQJKEKK-UHFFFAOYSA-N 0 3 384.461 3.885 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790511229 879782213 /nfs/dbraw/zinc/78/22/13/879782213.db2.gz AUVPHFUFIYMKHF-UHFFFAOYSA-N 0 3 393.846 3.520 20 5 GHBDHN CC(=O)N1CC[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000152872117 879841981 /nfs/dbraw/zinc/84/19/81/879841981.db2.gz GLMPYYMWAZBKFM-HNNXBMFYSA-N 0 3 389.839 3.751 20 5 GHBDHN Cc1cc(Br)ccc1NC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000237562926 880305073 /nfs/dbraw/zinc/30/50/73/880305073.db2.gz VCFWYLFCRNTKRK-UHFFFAOYSA-N 0 3 392.253 3.784 20 5 GHBDHN CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000453247678 880677378 /nfs/dbraw/zinc/67/73/78/880677378.db2.gz OGLXLPSGUZOTQH-KGLIPLIRSA-N 0 3 377.466 3.768 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000531965825 880832426 /nfs/dbraw/zinc/83/24/26/880832426.db2.gz GEXNSNZBDCWHQS-AVRDEDQJSA-N 0 3 382.508 3.543 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)o2)cc1 ZINC000859931434 884181607 /nfs/dbraw/zinc/18/16/07/884181607.db2.gz QMJIEIFFDPIZRH-YTQUADARSA-N 0 3 376.416 3.880 20 5 GHBDHN CN1CC[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccccc1 ZINC000550684948 885894038 /nfs/dbraw/zinc/89/40/38/885894038.db2.gz TZXVMWZKWPDQGX-WOJBJXKFSA-N 0 3 378.432 3.785 20 5 GHBDHN COc1ccc(OC(F)(F)F)cc1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168495991 887098022 /nfs/dbraw/zinc/09/80/22/887098022.db2.gz PDHLNHWMLLCOOT-UHFFFAOYSA-N 0 3 383.326 3.717 20 5 GHBDHN CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000809917854 887942496 /nfs/dbraw/zinc/94/24/96/887942496.db2.gz CGGVRYRSESOJAD-OAHLLOKOSA-N 0 3 388.855 3.986 20 5 GHBDHN CC(C)(O)CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809952505 888018825 /nfs/dbraw/zinc/01/88/25/888018825.db2.gz ZJXXDJPAVJUEFS-UHFFFAOYSA-N 0 3 377.268 3.654 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1Cl ZINC000809994882 888049771 /nfs/dbraw/zinc/04/97/71/888049771.db2.gz HRKWUGCTXCLFLZ-QGZVFWFLSA-N 0 3 376.840 3.918 20 5 GHBDHN C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1(C)OCCO1 ZINC000865674219 888510288 /nfs/dbraw/zinc/51/02/88/888510288.db2.gz IVGIDESVTGYWBE-ZDUSSCGKSA-N 0 3 377.466 3.597 20 5 GHBDHN CCN1CCCN([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000533264080 890162167 /nfs/dbraw/zinc/16/21/67/890162167.db2.gz XUUDJAXERUKHKZ-OAQYLSRUSA-N 0 3 396.491 3.611 20 5 GHBDHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813103020 891273321 /nfs/dbraw/zinc/27/33/21/891273321.db2.gz YJJDFCJXZYLPIY-SECBINFHSA-N 0 3 379.825 3.871 20 5 GHBDHN CC(COC(=O)c1cccc(Sc2cccc(Br)c2)n1)[N+](=O)[O-] ZINC000813110280 891303694 /nfs/dbraw/zinc/30/36/94/891303694.db2.gz WJZXDDUIYFQJLP-JTQLQIEISA-N 0 3 397.250 3.817 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000814644517 893035607 /nfs/dbraw/zinc/03/56/07/893035607.db2.gz CCPQFFXCPOMSKS-UHFFFAOYSA-N 0 3 375.469 3.818 20 5 GHBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)O1 ZINC001185802005 914094620 /nfs/dbraw/zinc/09/46/20/914094620.db2.gz RSKKHNNVCKWDLR-CALCHBBNSA-N 0 3 384.480 3.958 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cccc(Cl)c1 ZINC000567080259 896857509 /nfs/dbraw/zinc/85/75/09/896857509.db2.gz GOSHFPLFFKTTNR-SFHVURJKSA-N 0 3 391.855 3.863 20 5 GHBDHN CN1CCN(C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000567676726 897331003 /nfs/dbraw/zinc/33/10/03/897331003.db2.gz OSSVCEGZGLKDRT-XZOQPEGZSA-N 0 3 394.519 3.551 20 5 GHBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@](C)(O)c1ccccc1 ZINC000822516313 898447059 /nfs/dbraw/zinc/44/70/59/898447059.db2.gz KNWZAVKNWGFNRP-KRWDZBQOSA-N 0 3 379.254 3.697 20 5 GHBDHN CC(C)(C)OC(=O)CC[C@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823244895 898938100 /nfs/dbraw/zinc/93/81/00/898938100.db2.gz ZVABWFYJCIZXNY-AEFFLSMTSA-N 0 3 378.469 3.605 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000571001465 899707781 /nfs/dbraw/zinc/70/77/81/899707781.db2.gz ZDMQXXNPOQIYEI-ZDUSSCGKSA-N 0 3 397.258 3.920 20 5 GHBDHN COc1ccc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845872274 902473783 /nfs/dbraw/zinc/47/37/83/902473783.db2.gz FVYOMEBDTQQVNC-RBZFPXEDSA-N 0 3 391.395 3.725 20 5 GHBDHN Cc1nn(CC2CC2)c(C)c1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875794 902477836 /nfs/dbraw/zinc/47/78/36/902477836.db2.gz CKQKXXDAKBMREX-VLIAUNLRSA-N 0 3 389.427 3.541 20 5 GHBDHN CC([C@@H](OC(=O)CCC(=O)c1ccc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875975 902479327 /nfs/dbraw/zinc/47/93/27/902479327.db2.gz MJBWLAJBOJYCRM-ADLMAVQZSA-N 0 3 394.786 3.787 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845876705 902481176 /nfs/dbraw/zinc/48/11/76/902481176.db2.gz OAHJGOKIVMYRFT-WWGRRREGSA-N 0 3 398.431 3.578 20 5 GHBDHN CC([C@@H](OC(=O)CCCc1nc(C(C)(C)C)no1)c1ccccc1F)[N+](=O)[O-] ZINC000845879599 902482488 /nfs/dbraw/zinc/48/24/88/902482488.db2.gz YAAWHMPTZDBPDC-SJKOYZFVSA-N 0 3 393.415 3.779 20 5 GHBDHN CO[C@H](C)c1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845878937 902483787 /nfs/dbraw/zinc/48/37/87/902483787.db2.gz UHUBCXQZGSIISD-WDMOLILDSA-N 0 3 382.413 3.861 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845881285 902485381 /nfs/dbraw/zinc/48/53/81/902485381.db2.gz LLRAVRSAYIUVHK-CVMIBZJCSA-N 0 3 393.333 3.823 20 5 GHBDHN CN(C)Cc1ccccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000577242472 902610932 /nfs/dbraw/zinc/61/09/32/902610932.db2.gz CNTXUHYZFOCGHD-UHFFFAOYSA-N 0 3 377.828 3.717 20 5 GHBDHN O=C1[C@H](N[C@H](c2ccc(F)cc2)C2CCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303387154 914724865 /nfs/dbraw/zinc/72/48/65/914724865.db2.gz MUJDWVSCODBVRE-UXHICEINSA-N 0 3 383.423 3.970 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000578396403 903802113 /nfs/dbraw/zinc/80/21/13/903802113.db2.gz MRDBNSQEHDRORM-QGZVFWFLSA-N 0 3 385.395 3.869 20 5 GHBDHN CC(C)(C)OC(=O)Cc1ccc(CCNc2cc3c(cc2[N+](=O)[O-])CNC3)cc1 ZINC001171345217 904339131 /nfs/dbraw/zinc/33/91/31/904339131.db2.gz XHIAZMQOAGLJAM-UHFFFAOYSA-N 0 3 397.475 3.737 20 5 GHBDHN CSC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOCC1 ZINC000174563535 905299456 /nfs/dbraw/zinc/29/94/56/905299456.db2.gz CXEVWJWOFASBCC-UHFFFAOYSA-N 0 3 379.507 3.720 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2nc(-c3ccccc3)cc2CN)c1F ZINC001173179825 906258367 /nfs/dbraw/zinc/25/83/67/906258367.db2.gz QDMFMHXAISCRIQ-CYBMUJFWSA-N 0 3 384.411 3.868 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](c2cccnc2F)C2CC2)c1F ZINC001173181432 906261518 /nfs/dbraw/zinc/26/15/18/906261518.db2.gz VWZMNBPGVVLLBQ-VOJFVSQTSA-N 0 3 377.391 3.949 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](CO)c2cccc(Cl)c2)c1F ZINC001173185642 906266147 /nfs/dbraw/zinc/26/61/47/906266147.db2.gz BRYSMJRCVSCZCS-XHDPSFHLSA-N 0 3 382.819 3.650 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cc(C(F)(F)F)ccn2)c1F ZINC001173187417 906267828 /nfs/dbraw/zinc/26/78/28/906267828.db2.gz CYGGXWQNZWGKIR-SNVBAGLBSA-N 0 3 387.333 3.877 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccc(F)c(OC)c2F)c1F ZINC001173189801 906269884 /nfs/dbraw/zinc/26/98/84/906269884.db2.gz RHDVWZBCUVEQLR-SNVBAGLBSA-N 0 3 384.354 3.750 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001177122827 908398661 /nfs/dbraw/zinc/39/86/61/908398661.db2.gz ZCOGPDUZNMXPRO-INIZCTEOSA-N 0 3 377.391 3.560 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000192760430 908821535 /nfs/dbraw/zinc/82/15/35/908821535.db2.gz XODSIHYXEDZCEX-ABSDTBQOSA-N 0 3 397.475 3.988 20 5 GHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195718813 909036097 /nfs/dbraw/zinc/03/60/97/909036097.db2.gz JARHQXCAYFGGFV-ZWKOTPCHSA-N 0 3 397.258 3.871 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC001179914341 909833336 /nfs/dbraw/zinc/83/33/36/909833336.db2.gz UQRUSWHVQYNKFH-IIBYNOLFSA-N 0 3 387.480 3.816 20 5 GHBDHN C[C@@]1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCO[C@H]1C1CC1 ZINC001180593918 910260316 /nfs/dbraw/zinc/26/03/16/910260316.db2.gz PZFMIKDCLNJXKR-JSGCOSHPSA-N 0 3 375.288 3.714 20 5 GHBDHN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(NS(C)(=O)=O)c1 ZINC000774143245 911439189 /nfs/dbraw/zinc/43/91/89/911439189.db2.gz LULJAWIOQBDILP-BFUOFWGJSA-N 0 3 389.477 3.695 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(Br)cc2F)n1 ZINC000774182778 911501825 /nfs/dbraw/zinc/50/18/25/911501825.db2.gz JEAACBSBPBTDDA-GJZGRUSLSA-N 0 3 397.248 3.966 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1OC ZINC000775064819 914906917 /nfs/dbraw/zinc/90/69/17/914906917.db2.gz MHAGGKNZEPJGLH-INIZCTEOSA-N 0 3 387.436 3.682 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000291581827 915260611 /nfs/dbraw/zinc/26/06/11/915260611.db2.gz OWVOCVAXZRESRW-MEDUHNTESA-N 0 3 389.279 3.559 20 5 GHBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)C1 ZINC000293962522 916498585 /nfs/dbraw/zinc/49/85/85/916498585.db2.gz UAHYBPPINNJKAM-JOCHJYFZSA-N 0 3 397.425 3.540 20 5 GHBDHN CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC001191257739 917853564 /nfs/dbraw/zinc/85/35/64/917853564.db2.gz KPZHYZIANNDPMI-MDZRGWNJSA-N 0 3 388.464 3.963 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000119494159 919632735 /nfs/dbraw/zinc/63/27/35/919632735.db2.gz PWMNBTXECXVIAE-HKUYNNGSSA-N 0 3 381.476 3.788 20 5 GHBDHN CC(C)N(C)C(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000119754811 919652787 /nfs/dbraw/zinc/65/27/87/919652787.db2.gz NDTSYSUCSXNQNS-UHFFFAOYSA-N 0 3 385.464 3.934 20 5 GHBDHN O=C(c1ccccc1)N1CC[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000374852857 927603319 /nfs/dbraw/zinc/60/33/19/927603319.db2.gz DGXCXRBVDNNYJU-KRWDZBQOSA-N 0 3 379.460 3.722 20 5 GHBDHN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)N2CCCC2)cc1 ZINC000546035892 929791577 /nfs/dbraw/zinc/79/15/77/929791577.db2.gz DTBRIKRSWKGGLS-FQEVSTJZSA-N 0 3 398.463 3.870 20 5 GHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470117034 930386471 /nfs/dbraw/zinc/38/64/71/930386471.db2.gz XZARCYNYNFFRKN-HNNXBMFYSA-N 0 3 378.429 3.754 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470127875 930392825 /nfs/dbraw/zinc/39/28/25/930392825.db2.gz GEIPWOJHVOKCOH-OAHLLOKOSA-N 0 3 386.427 3.862 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000470174088 930431251 /nfs/dbraw/zinc/43/12/51/930431251.db2.gz QBPKGORXQXEPML-XOQYZJNISA-N 0 3 377.448 3.920 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000557955351 931773207 /nfs/dbraw/zinc/77/32/07/931773207.db2.gz DHIRBKFXZSYUHM-UZLBHIALSA-N 0 3 387.455 3.722 20 5 GHBDHN C/C(=C/C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784074107 931776027 /nfs/dbraw/zinc/77/60/27/931776027.db2.gz RSWGUUOWKVRERO-RUDRXDDOSA-N 0 3 379.460 3.731 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000797076562 932170937 /nfs/dbraw/zinc/17/09/37/932170937.db2.gz HQCNNJCNTDDRGP-YLJYHZDGSA-N 0 3 399.878 3.934 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000468656032 1015877408 /nfs/dbraw/zinc/87/74/08/1015877408.db2.gz QTJZJQDIYBBRNH-CXYJPRGCSA-N 0 3 391.471 3.745 20 5 GHBDHN COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC001227544212 1032458447 /nfs/dbraw/zinc/45/84/47/1032458447.db2.gz JQYZYRABHIROAC-UKRRQHHQSA-N 0 3 390.461 3.732 20 5 GHBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N[C@H]3CCCC[C@@]34CNCCO4)ccc21 ZINC001155826381 1032727425 /nfs/dbraw/zinc/72/74/25/1032727425.db2.gz IINMYPLABNBJPX-MAUKXSAKSA-N 0 3 376.844 3.510 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000565679577 1019189237 /nfs/dbraw/zinc/18/92/37/1019189237.db2.gz VHNVJMICKMWTNW-DYVFJYSZSA-N 0 3 386.452 3.621 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000575742528 1019941786 /nfs/dbraw/zinc/94/17/86/1019941786.db2.gz IWNKDANSWNERHB-KOMQPUFPSA-N 0 3 394.880 3.558 20 5 GHBDHN C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000579620897 1020427896 /nfs/dbraw/zinc/42/78/96/1020427896.db2.gz ICLKSEPGNKEVSP-GOSISDBHSA-N 0 3 395.503 3.995 20 5 GHBDHN Cc1ccc([C@@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1[N+](=O)[O-] ZINC000834904782 1021655832 /nfs/dbraw/zinc/65/58/32/1021655832.db2.gz PXVIABWLFRJKPX-WBVHZDCISA-N 0 3 393.484 3.580 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001203067589 1022565669 /nfs/dbraw/zinc/56/56/69/1022565669.db2.gz JJPUFGQGBPXZAS-HNNXBMFYSA-N 0 3 387.436 3.954 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000754889365 1022951565 /nfs/dbraw/zinc/95/15/65/1022951565.db2.gz LPSIFIUZEORVSZ-RLHAVTDZSA-N 0 3 379.460 3.951 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000755118021 1023081081 /nfs/dbraw/zinc/08/10/81/1023081081.db2.gz GLDYVOSKBDGAHS-SYTFOFBDSA-N 0 3 389.839 3.730 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1Cl ZINC000836782897 1023363848 /nfs/dbraw/zinc/36/38/48/1023363848.db2.gz LPWQJEUCYQNMSM-SCLBCKFNSA-N 0 3 375.856 3.978 20 5 GHBDHN COC(=O)c1c(O[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001229046545 1033247214 /nfs/dbraw/zinc/24/72/14/1033247214.db2.gz SZKAFRIGUFSNES-DNVCBOLYSA-N 0 3 384.432 3.671 20 5 GHBDHN CCOC(=O)c1nc(Cl)nc(NCCP(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001162358032 1025723500 /nfs/dbraw/zinc/72/35/00/1025723500.db2.gz JAQZUJOXWRGRRR-UHFFFAOYSA-N 0 3 390.808 3.926 20 5 GHBDHN CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000839600999 1026099617 /nfs/dbraw/zinc/09/96/17/1026099617.db2.gz IUYMADIDZWVZOS-MOPGFXCFSA-N 0 3 391.855 3.535 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCC4(CCOCC4)CO3)o2)cc1 ZINC001203511446 1027391469 /nfs/dbraw/zinc/39/14/69/1027391469.db2.gz XXTRMOUQAYGXBJ-SFHVURJKSA-N 0 3 386.448 3.920 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001217146909 1030195641 /nfs/dbraw/zinc/19/56/41/1030195641.db2.gz JLAJOZWSFAENBX-WBVHZDCISA-N 0 3 398.463 3.951 20 5 GHBDHN CCc1noc([C@@H]2CC[C@H](NCc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC001461795825 1069751643 /nfs/dbraw/zinc/75/16/43/1069751643.db2.gz DXGRMVOPXCSTGU-PWSUYJOCSA-N 0 3 382.367 3.568 20 5 GHBDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001220435796 1031940318 /nfs/dbraw/zinc/94/03/18/1031940318.db2.gz UERWMZRINBLXMP-UHFFFAOYSA-N 0 3 393.447 3.739 20 5 GHBDHN C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@](C)(O)c1ccccc1 ZINC001206517350 1033885948 /nfs/dbraw/zinc/88/59/48/1033885948.db2.gz RGGNVRTXARDNQZ-BMIGLBTASA-N 0 3 385.283 3.805 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CCN2CC[C@@H]2C1 ZINC001158432008 1034076413 /nfs/dbraw/zinc/07/64/13/1034076413.db2.gz UWXWFBJSOYQFEA-GOSISDBHSA-N 0 3 390.443 3.616 20 5 GHBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4cccc([N+](=O)[O-])c4)cc3)C[C@H]1N2C ZINC001230941258 1034298883 /nfs/dbraw/zinc/29/88/83/1034298883.db2.gz OFQBAPXUJVTNCF-UVUJQTEASA-N 0 3 396.443 3.807 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001207669602 1034519933 /nfs/dbraw/zinc/51/99/33/1034519933.db2.gz HSODIJZTZOWTSU-RXBGNRNISA-N 0 3 375.469 3.939 20 5 GHBDHN NCc1cc(-c2ccncc2)nn1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160339258 1034944288 /nfs/dbraw/zinc/94/42/88/1034944288.db2.gz FFNFEOMFOMIGJF-UHFFFAOYSA-N 0 3 380.795 3.503 20 5 GHBDHN CC(C)CC(=O)NC1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232221856 1035170057 /nfs/dbraw/zinc/17/00/57/1035170057.db2.gz LLXUGCMMJLZRMY-UHFFFAOYSA-N 0 3 376.504 3.910 20 5 GHBDHN O=C(NC1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1)c1ccncc1 ZINC001232225417 1035171144 /nfs/dbraw/zinc/17/11/44/1035171144.db2.gz CBRIDNJMZVIGOL-UHFFFAOYSA-N 0 3 397.482 3.572 20 5 GHBDHN O=[N+]([O-])c1cc(NCC2CCN(Cc3ccccc3F)CC2)nc2[nH]ccc21 ZINC001161194596 1035175825 /nfs/dbraw/zinc/17/58/25/1035175825.db2.gz RMLKMZXGBIBDHW-UHFFFAOYSA-N 0 3 383.427 3.934 20 5 GHBDHN Cn1nc(CCNCc2cc(Br)c([N+](=O)[O-])s2)c2ccccc21 ZINC001462123931 1070015872 /nfs/dbraw/zinc/01/58/72/1070015872.db2.gz BPQGHZXOOAFXGT-UHFFFAOYSA-N 0 3 395.282 3.638 20 5 GHBDHN COc1c(O)cc(O[C@@H]2CCCN(C(C)C)C2)c2c(=O)c3ccccc3n(C)c12 ZINC001234175583 1039909438 /nfs/dbraw/zinc/90/94/38/1039909438.db2.gz IKZADDWDMLVPQI-OAHLLOKOSA-N 0 3 396.487 3.658 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001254571332 1040348013 /nfs/dbraw/zinc/34/80/13/1040348013.db2.gz SNZYXAYKICYWAY-YLJYHZDGSA-N 0 3 382.460 3.981 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1COc3ccc(Br)cc31)C2 ZINC001254579825 1040355142 /nfs/dbraw/zinc/35/51/42/1040355142.db2.gz VPRRQPASZQFYPX-CZUORRHYSA-N 0 3 375.222 3.548 20 5 GHBDHN CCC1([NH+]2CCCCC2)CCN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC1 ZINC001462542079 1070344976 /nfs/dbraw/zinc/34/49/76/1070344976.db2.gz IYIGFIVOXMUXIM-UHFFFAOYSA-N 0 3 377.485 3.540 20 5 GHBDHN COc1cc(N2CCC(N3CCOC4(CCCCC4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256100536 1041527131 /nfs/dbraw/zinc/52/71/31/1041527131.db2.gz KDVAKDTYVGHWSH-UHFFFAOYSA-N 0 3 389.496 3.607 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001278323573 1042970504 /nfs/dbraw/zinc/97/05/04/1042970504.db2.gz WCLMLYSZBHOORN-VMRPVKRXSA-N 0 3 379.460 3.841 20 5 GHBDHN COc1c(O)ccc(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001262356262 1046246447 /nfs/dbraw/zinc/24/64/47/1046246447.db2.gz WNSSJWXGWJYFMZ-PXNSSMCTSA-N 0 3 386.448 3.909 20 5 GHBDHN CC1CCC(N2CCN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])CC2)CC1 ZINC001306966745 1048983710 /nfs/dbraw/zinc/98/37/10/1048983710.db2.gz BSWPXMZLFZQZGM-UHFFFAOYSA-N 0 3 399.451 3.752 20 5 GHBDHN Cc1ccccc1[C@@H]([C@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N(C)C ZINC001307114835 1049084150 /nfs/dbraw/zinc/08/41/50/1049084150.db2.gz QEJKUVNPVOICGI-MGPUTAFESA-N 0 3 394.475 3.858 20 5 GHBDHN CC[C@H](C)N[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)c1ccco1 ZINC001307118576 1049086757 /nfs/dbraw/zinc/08/67/57/1049086757.db2.gz MVANJWHDRBTYLB-XJKSGUPXSA-N 0 3 375.425 3.824 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)N(CC)C[C@@H]2C)cc1OC ZINC001307645096 1049471973 /nfs/dbraw/zinc/47/19/73/1049471973.db2.gz USNOVHWTPGOFIF-ULQDDVLXSA-N 0 3 393.528 3.943 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC001307755188 1049570659 /nfs/dbraw/zinc/57/06/59/1049570659.db2.gz YKYBDOGEGKPOJF-CSMYWGQOSA-N 0 3 395.887 3.903 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H](C)C1 ZINC001290890757 1049944624 /nfs/dbraw/zinc/94/46/24/1049944624.db2.gz AZMDWMZLKMJEPQ-HNNXBMFYSA-N 0 3 379.526 3.949 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@H](C(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001308802358 1050100706 /nfs/dbraw/zinc/10/07/06/1050100706.db2.gz LNEOFPZZFOKBLI-HOCLYGCPSA-N 0 3 378.469 3.793 20 5 GHBDHN COC(=O)c1cnc([C@@H]2CCCN(Cc3c(C)ccc([N+](=O)[O-])c3C)C2)s1 ZINC001308879860 1050136644 /nfs/dbraw/zinc/13/66/44/1050136644.db2.gz BWKCZBZEFCFZAY-CQSZACIVSA-N 0 3 389.477 3.834 20 5 GHBDHN COc1cc(CNC2CC3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001333311688 1051715770 /nfs/dbraw/zinc/71/57/70/1051715770.db2.gz MPPYGNBRZRSEJG-UHFFFAOYSA-N 0 3 396.312 3.822 20 5 GHBDHN CC(C)(C)OC(=O)N1CC2(C1)CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000848919069 1057421712 /nfs/dbraw/zinc/42/17/12/1057421712.db2.gz RMOZKYTYXPWZQA-VURMDHGXSA-N 0 3 387.480 3.941 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001440672275 1058572374 /nfs/dbraw/zinc/57/23/74/1058572374.db2.gz BEZHYCHRLVWISF-FGTMMUONSA-N 0 3 385.489 3.713 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001440678265 1058579180 /nfs/dbraw/zinc/57/91/80/1058579180.db2.gz VTRDMBGCDHUKNH-PCCBWWKXSA-N 0 3 379.460 3.652 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)n1 ZINC001450806796 1060697056 /nfs/dbraw/zinc/69/70/56/1060697056.db2.gz VAROGJLQFRAQMJ-FQEVSTJZSA-N 0 3 384.480 3.529 20 5 GHBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001453387955 1061120386 /nfs/dbraw/zinc/12/03/86/1061120386.db2.gz CKXWNXHXXHAEJT-SNVBAGLBSA-N 0 3 392.258 3.891 20 5 GHBDHN COc1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001347522511 1062464967 /nfs/dbraw/zinc/46/49/67/1062464967.db2.gz QQJDYMRBKIFBAX-MRXNPFEDSA-N 0 3 398.463 3.589 20 5 GHBDHN Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001456521181 1062729072 /nfs/dbraw/zinc/72/90/72/1062729072.db2.gz WJGMPLHIQXLQMV-INIZCTEOSA-N 0 3 387.867 3.951 20 5 GHBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001436158340 1063246058 /nfs/dbraw/zinc/24/60/58/1063246058.db2.gz SXJULKPJFGCCOD-KRWDZBQOSA-N 0 3 382.464 3.507 20 5 GHBDHN CCN(CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)c1ccco1 ZINC001458135231 1063591694 /nfs/dbraw/zinc/59/16/94/1063591694.db2.gz GPYGCHMNPXTAGU-KRWDZBQOSA-N 0 3 375.425 3.778 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458631124 1063909912 /nfs/dbraw/zinc/90/99/12/1063909912.db2.gz NFACRMCWVZWIRA-UWJYYQICSA-N 0 3 393.487 3.653 20 5 GHBDHN CC(C)C1CCC(N2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC001459619675 1064146123 /nfs/dbraw/zinc/14/61/23/1064146123.db2.gz KUGDYMXAABISFG-UHFFFAOYSA-N 0 3 390.484 3.835 20 5 GHBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](COCc1ccccc1)c1ccccc1 ZINC001459878099 1064253797 /nfs/dbraw/zinc/25/37/97/1064253797.db2.gz BKWPDBMBFLEZQZ-FQEVSTJZSA-N 0 3 380.448 3.647 20 5 GHBDHN C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCC(C)CC1 ZINC001464554909 1065078756 /nfs/dbraw/zinc/07/87/56/1065078756.db2.gz UPNHSKFQMBEIAO-SNVBAGLBSA-N 0 3 392.258 3.891 20 5 GHBDHN C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCC(C)CC1 ZINC001464554904 1065078790 /nfs/dbraw/zinc/07/87/90/1065078790.db2.gz UPNHSKFQMBEIAO-JTQLQIEISA-N 0 3 392.258 3.891 20 5 GHBDHN CC(C)Oc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001353579942 1066057991 /nfs/dbraw/zinc/05/79/91/1066057991.db2.gz IJGNKKIAAHONFT-MRXNPFEDSA-N 0 3 385.464 3.632 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466987994 1066430419 /nfs/dbraw/zinc/43/04/19/1066430419.db2.gz CGKAEGAZCXMSLZ-QAPCUYQASA-N 0 3 398.463 3.778 20 5 GHBDHN CCOc1cc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466998168 1066436194 /nfs/dbraw/zinc/43/61/94/1066436194.db2.gz QQWGMIZHSNRMCJ-GOSISDBHSA-N 0 3 398.463 3.732 20 5 GHBDHN Cc1c(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001467401205 1067277059 /nfs/dbraw/zinc/27/70/59/1067277059.db2.gz GHAUDVFUXCJJBR-NSHDSACASA-N 0 3 386.374 3.694 20 5 GHBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@H]1c1ccccc1 ZINC001460224442 1068869681 /nfs/dbraw/zinc/86/96/81/1068869681.db2.gz RAUQTTULWUDGNK-FPOVZHCZSA-N 0 3 379.460 3.752 20 5 GHBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001460224433 1068870146 /nfs/dbraw/zinc/87/01/46/1068870146.db2.gz RAUQTTULWUDGNK-CTNGQTDRSA-N 0 3 379.460 3.752 20 5 GHBDHN CC(C)(C)OC(=O)CC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC001460253603 1068886613 /nfs/dbraw/zinc/88/66/13/1068886613.db2.gz BRGCVROPCSHEJP-INIZCTEOSA-N 0 3 378.469 3.808 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN([C@H](C)c2ccccc2)CC1 ZINC001460709155 1069109160 /nfs/dbraw/zinc/10/91/60/1069109160.db2.gz VQGVBUGEVOVYLZ-GOSISDBHSA-N 0 3 396.491 3.611 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001460752217 1069156768 /nfs/dbraw/zinc/15/67/68/1069156768.db2.gz ATEZRAKDUVZOOM-IUODEOHRSA-N 0 3 384.354 3.704 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460960707 1069299026 /nfs/dbraw/zinc/29/90/26/1069299026.db2.gz SOALILRMAZTQAI-UHFFFAOYSA-N 0 3 393.484 3.682 20 5 GHBDHN Cc1ccc(CN2CC[C@@H](NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001471142665 1072940120 /nfs/dbraw/zinc/94/01/20/1072940120.db2.gz ARTWAWKMISDDTJ-GOSISDBHSA-N 0 3 396.491 3.712 20 5 GHBDHN C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001471326916 1073019903 /nfs/dbraw/zinc/01/99/03/1073019903.db2.gz LZJMLYZHPLESKM-ROUUACIJSA-N 0 3 396.491 3.962 20 5 GHBDHN Cc1cccc(C2(NCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CCCC2)c1 ZINC001473278528 1073903941 /nfs/dbraw/zinc/90/39/41/1073903941.db2.gz ILQFXLYGVIWWAI-UHFFFAOYSA-N 0 3 379.460 3.851 20 5 GHBDHN Cc1cc(F)cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000176796331 835087166 /nfs/dbraw/zinc/08/71/66/835087166.db2.gz AWKTXWXECJEIFW-UHFFFAOYSA-N 0 3 399.466 3.823 20 5 GHBDHN CC[C@H](C)N[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000584011267 835427015 /nfs/dbraw/zinc/42/70/15/835427015.db2.gz HJSHBLVLKFKFLP-GXFFZTMASA-N 0 3 383.246 3.887 20 5 GHBDHN COc1cc(C[NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000512521181 844052725 /nfs/dbraw/zinc/05/27/25/844052725.db2.gz AFKTUVWYZPXTQT-UHFFFAOYSA-N 0 3 382.363 3.534 20 5 GHBDHN Cc1cc(F)ccc1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000428747721 844061566 /nfs/dbraw/zinc/06/15/66/844061566.db2.gz KBDRQKJAEABOEM-LJQANCHMSA-N 0 3 388.439 3.662 20 5 GHBDHN O=C(CCNCc1csc(Br)c1)Nc1ccccc1[N+](=O)[O-] ZINC000548825429 835928651 /nfs/dbraw/zinc/92/86/51/835928651.db2.gz CGEKNAIIHHWQHB-UHFFFAOYSA-N 0 3 384.255 3.537 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3cccn3)o2)c(Br)c1 ZINC000236568654 836196521 /nfs/dbraw/zinc/19/65/21/836196521.db2.gz VYFKTAJWNBVTPG-UHFFFAOYSA-N 0 3 391.225 3.604 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000065937998 836282901 /nfs/dbraw/zinc/28/29/01/836282901.db2.gz GVEAHKNYAMVXJE-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000187257921 836359553 /nfs/dbraw/zinc/35/95/53/836359553.db2.gz IIJJATBJWSUPGH-BFUOFWGJSA-N 0 3 375.856 3.598 20 5 GHBDHN COc1ccc(F)cc1[C@@H](C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000179949105 836439585 /nfs/dbraw/zinc/43/95/85/836439585.db2.gz YTUYLCSJTVXGBT-CYBMUJFWSA-N 0 3 375.400 3.730 20 5 GHBDHN C/C=C/c1ccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000180402760 837209198 /nfs/dbraw/zinc/20/91/98/837209198.db2.gz OXBIVQZBHGUMMY-CVCWVKEYSA-N 0 3 386.448 3.727 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000180417406 837223888 /nfs/dbraw/zinc/22/38/88/837223888.db2.gz QZPNKTURYSJEAD-GFCCVEGCSA-N 0 3 392.253 3.864 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1ccccc1[N+](=O)[O-] ZINC000180414235 837238757 /nfs/dbraw/zinc/23/87/57/837238757.db2.gz FPTWOJASKDFZOQ-GFCCVEGCSA-N 0 3 392.253 3.864 20 5 GHBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000151023629 844275095 /nfs/dbraw/zinc/27/50/95/844275095.db2.gz NZXYIEOTBJDSGP-UHFFFAOYSA-N 0 3 392.253 3.566 20 5 GHBDHN COc1ccc([C@@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000102693073 838185659 /nfs/dbraw/zinc/18/56/59/838185659.db2.gz FZDIXKIBYGLZJC-FQEVSTJZSA-N 0 3 387.436 3.537 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189624141 838326753 /nfs/dbraw/zinc/32/67/53/838326753.db2.gz ZMFUVQGGKVBZKI-XHDPSFHLSA-N 0 3 398.328 3.769 20 5 GHBDHN CCN1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1C ZINC000548038402 838652894 /nfs/dbraw/zinc/65/28/94/838652894.db2.gz BRUUQMFKPLNGER-RDJZCZTQSA-N 0 3 377.488 3.626 20 5 GHBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275747089 838653883 /nfs/dbraw/zinc/65/38/83/838653883.db2.gz CTQNUNWCZBSIQA-CQSZACIVSA-N 0 3 385.414 3.538 20 5 GHBDHN COc1ccc(COCCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000610370995 838737698 /nfs/dbraw/zinc/73/76/98/838737698.db2.gz YBWXQSPWAXIMQP-UHFFFAOYSA-N 0 3 386.448 3.663 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4ccccc4)CC3)o2)c1 ZINC000104661251 838834167 /nfs/dbraw/zinc/83/41/67/838834167.db2.gz LXNPAGQEGPRPHC-UHFFFAOYSA-N 0 3 378.432 3.615 20 5 GHBDHN COC(=O)c1ccc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000104667806 838834288 /nfs/dbraw/zinc/83/42/88/838834288.db2.gz DAWIOZQNSOJBRS-UHFFFAOYSA-N 0 3 395.415 3.711 20 5 GHBDHN O=[N+]([O-])c1cc(CN[C@@H]2CNCCC2(F)F)ccc1Oc1ccc(F)cc1 ZINC000415007125 839052139 /nfs/dbraw/zinc/05/21/39/839052139.db2.gz UPPWBOKAOGAMKF-QGZVFWFLSA-N 0 3 381.354 3.613 20 5 GHBDHN Cc1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549191876 839239914 /nfs/dbraw/zinc/23/99/14/839239914.db2.gz QIJJBZJYYHBGFP-MRXNPFEDSA-N 0 3 376.844 3.981 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458204466 844449772 /nfs/dbraw/zinc/44/97/72/844449772.db2.gz QNOSLAMOHJQFDK-CQSZACIVSA-N 0 3 393.534 3.727 20 5 GHBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451579 840023968 /nfs/dbraw/zinc/02/39/68/840023968.db2.gz USYHYEXGNZFPTI-QZTJIDSGSA-N 0 3 396.491 3.518 20 5 GHBDHN COC(=O)COc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417311254 840709000 /nfs/dbraw/zinc/70/90/00/840709000.db2.gz OEBLCZYVILCMMP-FQEVSTJZSA-N 0 3 384.432 3.704 20 5 GHBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(N2CCCC2)c1 ZINC000126402999 841045872 /nfs/dbraw/zinc/04/58/72/841045872.db2.gz ZRRCSJHDMGTIDH-KKSFZXQISA-N 0 3 394.475 3.651 20 5 GHBDHN O=C(CCN1CC[C@H](Oc2cccc(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500976238 844605665 /nfs/dbraw/zinc/60/56/65/844605665.db2.gz JAODIDYNUUBOGC-INIZCTEOSA-N 0 3 389.839 3.730 20 5 GHBDHN O=C(c1cc(NC[C@@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000108313061 841581871 /nfs/dbraw/zinc/58/18/71/841581871.db2.gz ATTPSVBMZFLKQJ-IBGZPJMESA-N 0 3 398.463 3.673 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000247375034 842305929 /nfs/dbraw/zinc/30/59/29/842305929.db2.gz LBQUKJOGLWTXAE-PXAZEXFGSA-N 0 3 377.441 3.608 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@H](N2CCCCC2)C1 ZINC000730807439 861294482 /nfs/dbraw/zinc/29/44/82/861294482.db2.gz WYRJFXQWELHPKR-LBPRGKRZSA-N 0 3 388.346 3.586 20 5 GHBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600229962 861313057 /nfs/dbraw/zinc/31/30/57/861313057.db2.gz YZHHVVKXGOREQD-CQSZACIVSA-N 0 3 385.386 3.750 20 5 GHBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)COCc1ccccc1 ZINC000511937005 842490593 /nfs/dbraw/zinc/49/05/93/842490593.db2.gz CROLDAUSXQJDML-SFHVURJKSA-N 0 3 396.443 3.864 20 5 GHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000610582304 843094951 /nfs/dbraw/zinc/09/49/51/843094951.db2.gz DGZSUHSPYFQKBD-SFHVURJKSA-N 0 3 380.448 3.832 20 5 GHBDHN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000512865855 843914776 /nfs/dbraw/zinc/91/47/76/843914776.db2.gz VZEZSVVZTQIFFM-QGZVFWFLSA-N 0 3 398.463 3.625 20 5 GHBDHN COc1ccc(NC(=O)CCN(C)Cc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000433250078 843927763 /nfs/dbraw/zinc/92/77/63/843927763.db2.gz YXRQLZRDWQMRSY-UHFFFAOYSA-N 0 3 395.818 3.857 20 5 GHBDHN O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000511027898 845718206 /nfs/dbraw/zinc/71/82/06/845718206.db2.gz JQCPLLMSTYXZIM-FXAWDEMLSA-N 0 3 380.448 3.868 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000551556994 846433678 /nfs/dbraw/zinc/43/36/78/846433678.db2.gz AWNYJYKLBXEQDA-DNVCBOLYSA-N 0 3 387.480 3.956 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000501575931 847033481 /nfs/dbraw/zinc/03/34/81/847033481.db2.gz CEJHWYUJFKZNMX-INIZCTEOSA-N 0 3 393.237 3.850 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000501637049 847069277 /nfs/dbraw/zinc/06/92/77/847069277.db2.gz JEKSYLDPUYHGIL-FQEVSTJZSA-N 0 3 381.476 3.716 20 5 GHBDHN CN(C)[C@@H]1CCOc2c(Nc3ncc(Br)cc3[N+](=O)[O-])cccc21 ZINC000431409937 847230111 /nfs/dbraw/zinc/23/01/11/847230111.db2.gz KVJUALSPVZYLHE-CYBMUJFWSA-N 0 3 393.241 3.881 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000502184223 847574805 /nfs/dbraw/zinc/57/48/05/847574805.db2.gz DZSGTFYERKAWJQ-BLLLJJGKSA-N 0 3 394.859 3.770 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000503525402 847768985 /nfs/dbraw/zinc/76/89/85/847768985.db2.gz DTSDIBSXAZKFPS-IEBWSBKVSA-N 0 3 383.448 3.569 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c(F)c1 ZINC000479888776 847931638 /nfs/dbraw/zinc/93/16/38/847931638.db2.gz MLLHPIDMBKGUJI-IBGZPJMESA-N 0 3 393.846 3.550 20 5 GHBDHN O=[N+]([O-])c1ccc2ncnc(Nc3cccc(CN4CCSCC4)c3)c2c1 ZINC000611711613 848107337 /nfs/dbraw/zinc/10/73/37/848107337.db2.gz XSBWPWOSXKUTDS-UHFFFAOYSA-N 0 3 381.461 3.830 20 5 GHBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)c1ccco1 ZINC000731995649 862017075 /nfs/dbraw/zinc/01/70/75/862017075.db2.gz XFQPLQYJXHZMAO-GOSISDBHSA-N 0 3 386.452 3.575 20 5 GHBDHN CN(CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1F ZINC000518764201 850060277 /nfs/dbraw/zinc/06/02/77/850060277.db2.gz BFGCEBYDNNNSJR-UHFFFAOYSA-N 0 3 383.370 3.951 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000504917991 850429863 /nfs/dbraw/zinc/42/98/63/850429863.db2.gz FNYBZJKTBPUPCZ-URKNILKWSA-N 0 3 394.418 3.881 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H](Cc2ccccc2)[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000504917989 850430073 /nfs/dbraw/zinc/43/00/73/850430073.db2.gz FNYBZJKTBPUPCZ-CRFBAAHOSA-N 0 3 394.418 3.881 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000514987079 850577974 /nfs/dbraw/zinc/57/79/74/850577974.db2.gz SHFQDBCGRNEVIH-KSSFIOAISA-N 0 3 375.494 3.959 20 5 GHBDHN CSc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000424999972 850839339 /nfs/dbraw/zinc/83/93/39/850839339.db2.gz HUFQRYCYBAYUOT-PKOBYXMFSA-N 0 3 397.500 3.663 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434448100 851122084 /nfs/dbraw/zinc/12/20/84/851122084.db2.gz ZDMAMECKJQNOEI-MRXNPFEDSA-N 0 3 377.510 3.844 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCC[C@H]2CN2CCOCC2)o1 ZINC000514082757 851218550 /nfs/dbraw/zinc/21/85/50/851218550.db2.gz IJSLAMSWZAVJSU-KRWDZBQOSA-N 0 3 385.464 3.542 20 5 GHBDHN CO[C@@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000514085506 851222668 /nfs/dbraw/zinc/22/26/68/851222668.db2.gz XJDCIQIUWISIKQ-RDJZCZTQSA-N 0 3 376.844 3.517 20 5 GHBDHN CC(C)(NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000489078987 851985805 /nfs/dbraw/zinc/98/58/05/851985805.db2.gz SCYLXNKBHDMPGL-SFHVURJKSA-N 0 3 396.491 3.794 20 5 GHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515963298 851989411 /nfs/dbraw/zinc/98/94/11/851989411.db2.gz LOTOHXSPIRMNKM-IIBYNOLFSA-N 0 3 397.475 3.660 20 5 GHBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517493021 852027621 /nfs/dbraw/zinc/02/76/21/852027621.db2.gz ZEACLRBXLZZHER-KRWDZBQOSA-N 0 3 391.515 3.922 20 5 GHBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517493028 852027822 /nfs/dbraw/zinc/02/78/22/852027822.db2.gz ZEACLRBXLZZHER-QGZVFWFLSA-N 0 3 391.515 3.922 20 5 GHBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000425638566 852404896 /nfs/dbraw/zinc/40/48/96/852404896.db2.gz ZHAXUGVDILIERL-KRWDZBQOSA-N 0 3 379.416 3.864 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000249464347 852539738 /nfs/dbraw/zinc/53/97/38/852539738.db2.gz GJJAQNVAJRIIMC-NSHGMRRFSA-N 0 3 398.459 3.840 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000507163417 852613068 /nfs/dbraw/zinc/61/30/68/852613068.db2.gz SYAOLBZKPNIJTE-UHFFFAOYSA-N 0 3 381.476 3.684 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000509585978 853015563 /nfs/dbraw/zinc/01/55/63/853015563.db2.gz OLRCZPXOBXOHJV-YOEHRIQHSA-N 0 3 388.468 3.852 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000490548564 853085016 /nfs/dbraw/zinc/08/50/16/853085016.db2.gz XCPCJEGXKHPVQZ-CXAGYDPISA-N 0 3 377.510 3.555 20 5 GHBDHN C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000518395402 853282424 /nfs/dbraw/zinc/28/24/24/853282424.db2.gz HKLVVHRQWLKLGL-SFHVURJKSA-N 0 3 395.503 3.597 20 5 GHBDHN Cc1cc2ncn(C[C@H](O)CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2cc1C ZINC000490848895 853308732 /nfs/dbraw/zinc/30/87/32/853308732.db2.gz XVTGDSJXXKANAA-HXUWFJFHSA-N 0 3 394.475 3.587 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000518581953 853513984 /nfs/dbraw/zinc/51/39/84/853513984.db2.gz WXWSXIPPTFVCNC-GOEBONIOSA-N 0 3 377.510 3.652 20 5 GHBDHN C[C@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571611883 853959820 /nfs/dbraw/zinc/95/98/20/853959820.db2.gz JGXHSKJZJNKPPF-INIZCTEOSA-N 0 3 399.516 3.928 20 5 GHBDHN COC(=O)c1cc(C)nc(N[C@H](CN2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000587983941 854057998 /nfs/dbraw/zinc/05/79/98/854057998.db2.gz UZQPULLDVRNYGY-GOSISDBHSA-N 0 3 398.463 3.724 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441067 855421361 /nfs/dbraw/zinc/42/13/61/855421361.db2.gz AGCUXWFAUKEDTM-NVXWUHKLSA-N 0 3 377.510 3.509 20 5 GHBDHN CN1C[C@@H]2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447660 855424491 /nfs/dbraw/zinc/42/44/91/855424491.db2.gz ZKXMXNNQRFLLAA-WMLDXEAASA-N 0 3 383.473 3.522 20 5 GHBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000590447672 855424682 /nfs/dbraw/zinc/42/46/82/855424682.db2.gz ZKXMXNNQRFLLAA-YOEHRIQHSA-N 0 3 383.473 3.522 20 5 GHBDHN COC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000765848120 855554284 /nfs/dbraw/zinc/55/42/84/855554284.db2.gz FQQOJYKOOPEJGY-IRXDYDNUSA-N 0 3 384.354 3.624 20 5 GHBDHN O=C(CCNCc1ccccc1OCC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000574738793 855822954 /nfs/dbraw/zinc/82/29/54/855822954.db2.gz LPEZTCKHWYGOEZ-UHFFFAOYSA-N 0 3 397.353 3.654 20 5 GHBDHN O=C(CCNCc1ccc(Br)s1)Nc1ccccc1[N+](=O)[O-] ZINC000554527524 855922370 /nfs/dbraw/zinc/92/23/70/855922370.db2.gz BKHLZKWMNOZCIM-UHFFFAOYSA-N 0 3 384.255 3.537 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000171412229 856127919 /nfs/dbraw/zinc/12/79/19/856127919.db2.gz JRSZUDYREFQWKM-FQEVSTJZSA-N 0 3 384.480 3.818 20 5 GHBDHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000729525807 856335532 /nfs/dbraw/zinc/33/55/32/856335532.db2.gz MOIMFGIMAFQPLF-FQEVSTJZSA-N 0 3 396.491 3.688 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1NC)c1ccsc1 ZINC000462912225 856554358 /nfs/dbraw/zinc/55/43/58/856554358.db2.gz MLERXPSQXXXLFF-INIZCTEOSA-N 0 3 376.482 3.511 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@H](O)CC1CCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132478 856675020 /nfs/dbraw/zinc/67/50/20/856675020.db2.gz GXXSTHBQSVQIFR-VAMGGRTRSA-N 0 3 376.497 3.642 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1F ZINC000593064210 857182364 /nfs/dbraw/zinc/18/23/64/857182364.db2.gz LUPCJULNOHEEND-INIZCTEOSA-N 0 3 375.400 3.812 20 5 GHBDHN C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183485 857222055 /nfs/dbraw/zinc/22/20/55/857222055.db2.gz NFAIOPYLQPUXBA-LAUBAEHRSA-N 0 3 396.491 3.962 20 5 GHBDHN COc1ccc(-c2ccc(CN3CC[C@H](n4cc(C)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000574127961 857251787 /nfs/dbraw/zinc/25/17/87/857251787.db2.gz WGOLPVUZTZBKLU-HNNXBMFYSA-N 0 3 382.420 3.815 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000553025907 857563453 /nfs/dbraw/zinc/56/34/53/857563453.db2.gz SHHGXHUCSHREJP-RHSMWYFYSA-N 0 3 394.880 3.815 20 5 GHBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000486245866 857592938 /nfs/dbraw/zinc/59/29/38/857592938.db2.gz YTWUCADZYKJJDB-UHFFFAOYSA-N 0 3 387.505 3.829 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000439045778 858147017 /nfs/dbraw/zinc/14/70/17/858147017.db2.gz ULHZGHPGRQSBFI-OAQYLSRUSA-N 0 3 399.491 3.654 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301859116 858327967 /nfs/dbraw/zinc/32/79/67/858327967.db2.gz CXKGJIQNAYHAAM-HZPDHXFCSA-N 0 3 395.381 3.661 20 5 GHBDHN CO[C@@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594954455 858344205 /nfs/dbraw/zinc/34/42/05/858344205.db2.gz LOOMTDRKJGJHJE-YWZLYKJASA-N 0 3 390.411 3.667 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCC(=O)N1Cc2ccccc2C1 ZINC000595019869 858353102 /nfs/dbraw/zinc/35/31/02/858353102.db2.gz RMBVLFRCSGMYDM-HNNXBMFYSA-N 0 3 383.448 3.577 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)N1CCc2sccc2C1 ZINC000595007172 858364450 /nfs/dbraw/zinc/36/44/50/858364450.db2.gz KKEWBBQCXKWODP-ZIAGYGMSSA-N 0 3 375.494 3.762 20 5 GHBDHN Cc1cc(N2CCC(N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000439136447 858497583 /nfs/dbraw/zinc/49/75/83/858497583.db2.gz FRQGNZHWJIWMNY-QFIPXVFZSA-N 0 3 391.475 3.974 20 5 GHBDHN Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000593129120 858729984 /nfs/dbraw/zinc/72/99/84/858729984.db2.gz QHYMNWWKGTZTDM-GXTWGEPZSA-N 0 3 397.353 3.559 20 5 GHBDHN O=[N+]([O-])c1cnc(NCC2CCN(Cc3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000596437057 858896858 /nfs/dbraw/zinc/89/68/58/858896858.db2.gz QNKAJMJUPGRPFZ-UHFFFAOYSA-N 0 3 395.385 3.728 20 5 GHBDHN COc1ccc(C[C@H](C)N[C@@H]2CCOc3c(F)cc(F)cc32)c([N+](=O)[O-])c1 ZINC001170328005 881365376 /nfs/dbraw/zinc/36/53/76/881365376.db2.gz TVYMMKBFHJOGIP-APPDUMDISA-N 0 3 378.375 3.926 20 5 GHBDHN CN(C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000543262706 859079525 /nfs/dbraw/zinc/07/95/25/859079525.db2.gz RJTOCYSHKHPXRU-MRXNPFEDSA-N 0 3 393.896 3.759 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000483325945 859299965 /nfs/dbraw/zinc/29/99/65/859299965.db2.gz PMOWSJRXLQVKHW-CZUORRHYSA-N 0 3 390.440 3.837 20 5 GHBDHN COc1cc2c(cc1F)CC[C@@H]2NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000509417043 859373555 /nfs/dbraw/zinc/37/35/55/859373555.db2.gz OYOKGGNKAGKEMI-IBGZPJMESA-N 0 3 396.422 3.920 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1cccs1)N1CCCC1 ZINC000117746746 859605836 /nfs/dbraw/zinc/60/58/36/859605836.db2.gz AOWYOIUNDHVKHJ-INIZCTEOSA-N 0 3 393.896 3.806 20 5 GHBDHN CN(Cc1ccccc1)C[C@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000611113226 859610439 /nfs/dbraw/zinc/61/04/39/859610439.db2.gz WKLRVNWHOSNASX-AWEZNQCLSA-N 0 3 385.247 3.773 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000154289138 860048342 /nfs/dbraw/zinc/04/83/42/860048342.db2.gz VVHASNOELYZVGK-RISCZKNCSA-N 0 3 385.247 3.992 20 5 GHBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000727676514 860185351 /nfs/dbraw/zinc/18/53/51/860185351.db2.gz PPJCYCJRLGQWCG-QGFLDLQWSA-N 0 3 379.460 3.951 20 5 GHBDHN CC[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nnc2n1CCCCC2 ZINC000765642228 860374437 /nfs/dbraw/zinc/37/44/37/860374437.db2.gz LJDSKSTVVOYJSU-IBGZPJMESA-N 0 3 398.511 3.622 20 5 GHBDHN COc1ccc(CCCN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125873036 860806566 /nfs/dbraw/zinc/80/65/66/860806566.db2.gz NACIVPWUPIRRDU-MRXNPFEDSA-N 0 3 385.464 3.803 20 5 GHBDHN CN(C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000555433312 860884509 /nfs/dbraw/zinc/88/45/09/860884509.db2.gz KZKBXKDQGQEYQO-INIZCTEOSA-N 0 3 380.807 3.812 20 5 GHBDHN Cc1c(CNC(=O)N(CCCc2ccccc2)CCN(C)C)cccc1[N+](=O)[O-] ZINC000480052680 863945566 /nfs/dbraw/zinc/94/55/66/863945566.db2.gz GROWQQHELWNQRX-UHFFFAOYSA-N 0 3 398.507 3.609 20 5 GHBDHN CCN1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000555125612 865568234 /nfs/dbraw/zinc/56/82/34/865568234.db2.gz NIJCTIZBQATMBA-APWZRJJASA-N 0 3 379.382 3.937 20 5 GHBDHN COc1cc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000609017555 865893841 /nfs/dbraw/zinc/89/38/41/865893841.db2.gz DAOHRWWJCLEMQS-GOSISDBHSA-N 0 3 383.448 3.560 20 5 GHBDHN CCOc1cc(N2CCN(Cc3cccc4cc[nH]c43)CC2)ccc1[N+](=O)[O-] ZINC000475510343 866122441 /nfs/dbraw/zinc/12/24/41/866122441.db2.gz GUZBDDYOLAZPSV-UHFFFAOYSA-N 0 3 380.448 3.797 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000475545092 866231592 /nfs/dbraw/zinc/23/15/92/866231592.db2.gz DEOJFSUKYDHMLB-SJLPKXTDSA-N 0 3 382.464 3.996 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000478683889 866492983 /nfs/dbraw/zinc/49/29/83/866492983.db2.gz HZEMBPIXLAXDRG-KRWDZBQOSA-N 0 3 391.493 3.786 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000478951619 866910509 /nfs/dbraw/zinc/91/05/09/866910509.db2.gz JOGZOWUKKAZBGS-OAQYLSRUSA-N 0 3 396.491 3.848 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])c2cccs2)CC1 ZINC000183614538 866914306 /nfs/dbraw/zinc/91/43/06/866914306.db2.gz FGWWONWSEAEZKE-INIZCTEOSA-N 0 3 389.481 3.646 20 5 GHBDHN COc1ccccc1[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CCCC1 ZINC000553250769 867051048 /nfs/dbraw/zinc/05/10/48/867051048.db2.gz MRAGPSWFVIRZBN-OAHLLOKOSA-N 0 3 399.476 3.857 20 5 GHBDHN C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000523482138 867374929 /nfs/dbraw/zinc/37/49/29/867374929.db2.gz UIYZYXBOXKJCPS-MRXNPFEDSA-N 0 3 376.501 3.809 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000444895238 867453891 /nfs/dbraw/zinc/45/38/91/867453891.db2.gz BHAHWTLOPFNLBZ-HOCLYGCPSA-N 0 3 384.436 3.560 20 5 GHBDHN CN(C)[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000523574898 867553833 /nfs/dbraw/zinc/55/38/33/867553833.db2.gz FWHVJYMUGYGSFR-HXUWFJFHSA-N 0 3 384.480 3.520 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534966140 867840861 /nfs/dbraw/zinc/84/08/61/867840861.db2.gz FKMPUFKMYZMXCG-GOEBONIOSA-N 0 3 378.432 3.641 20 5 GHBDHN Cc1cccc2c1ncc(C)c2N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000462497423 869563985 /nfs/dbraw/zinc/56/39/85/869563985.db2.gz WYLADLLFLSRQNW-UHFFFAOYSA-N 0 3 390.443 3.722 20 5 GHBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793607944 882318006 /nfs/dbraw/zinc/31/80/06/882318006.db2.gz GASLCOHLOIMKPJ-BBRMVZONSA-N 0 3 376.840 3.758 20 5 GHBDHN Cc1c([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000540190568 870686260 /nfs/dbraw/zinc/68/62/60/870686260.db2.gz TWOFUVIBZBAAPZ-GIOGAUJUSA-N 0 3 379.460 3.711 20 5 GHBDHN COc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cc2F)N(C)C)cc1OC ZINC000461724771 870846967 /nfs/dbraw/zinc/84/69/67/870846967.db2.gz BRGVCVAWAQMEPE-KRWDZBQOSA-N 0 3 377.416 3.774 20 5 GHBDHN COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463198286 871112828 /nfs/dbraw/zinc/11/28/28/871112828.db2.gz DENSMTACCNRUMX-VGDUNAEUSA-N 0 3 380.460 3.894 20 5 GHBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000540592063 871648906 /nfs/dbraw/zinc/64/89/06/871648906.db2.gz NODLCCWIZMBBCB-XOBRGWDASA-N 0 3 383.448 3.980 20 5 GHBDHN C[C@H](N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001194444244 871724170 /nfs/dbraw/zinc/72/41/70/871724170.db2.gz AGECRHMQUREMQI-CWFSZBLJSA-N 0 3 397.475 3.895 20 5 GHBDHN COC(=O)c1ccc(OC)c(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001194477213 871738946 /nfs/dbraw/zinc/73/89/46/871738946.db2.gz IPNKTXGKKIGLRJ-KRWDZBQOSA-N 0 3 384.432 3.770 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000540699670 871980148 /nfs/dbraw/zinc/98/01/48/871980148.db2.gz MSDOWGRNMFBZIO-HNNXBMFYSA-N 0 3 376.254 3.726 20 5 GHBDHN C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552334954 872463825 /nfs/dbraw/zinc/46/38/25/872463825.db2.gz DFRFPVKYSBBWPX-STQMWFEESA-N 0 3 394.518 3.940 20 5 GHBDHN COc1cccc2c1OC[C@H](NCc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000609122330 872897556 /nfs/dbraw/zinc/89/75/56/872897556.db2.gz HCDRDMYCPFCTKB-MRXNPFEDSA-N 0 3 380.400 3.957 20 5 GHBDHN CC(C)(C)O[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001196123219 872908690 /nfs/dbraw/zinc/90/86/90/872908690.db2.gz DUSXTDYHNXJIEW-HOTGVXAUSA-N 0 3 395.887 3.903 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000448574041 873624785 /nfs/dbraw/zinc/62/47/85/873624785.db2.gz OQHNLXWPQQNMJN-MRXNPFEDSA-N 0 3 381.354 3.646 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000769512717 874119528 /nfs/dbraw/zinc/11/95/28/874119528.db2.gz RBEWALYBUXQAKM-GOEBONIOSA-N 0 3 393.484 3.871 20 5 GHBDHN COc1ccc([C@@H](CNCc2csc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000237499825 874609212 /nfs/dbraw/zinc/60/92/12/874609212.db2.gz DXOHGVPPKLNZBT-GOSISDBHSA-N 0 3 375.494 3.982 20 5 GHBDHN Nc1ccc(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000804461121 882877095 /nfs/dbraw/zinc/87/70/95/882877095.db2.gz ZYLOQXZLMNZSPO-HNNXBMFYSA-N 0 3 380.370 3.882 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000609146266 875075077 /nfs/dbraw/zinc/07/50/77/875075077.db2.gz SKSOVTTWAXWGHB-UHFFFAOYSA-N 0 3 394.431 3.903 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)N(C)C)cc1 ZINC000858177150 882912440 /nfs/dbraw/zinc/91/24/40/882912440.db2.gz LPSXFRWBQZKSEU-QGZVFWFLSA-N 0 3 375.856 3.843 20 5 GHBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000105464809 875299898 /nfs/dbraw/zinc/29/98/98/875299898.db2.gz ZTGJDUHVLMYGOM-INIZCTEOSA-N 0 3 386.471 3.727 20 5 GHBDHN COc1cccc(Sc2ccccc2CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC001201192660 875553168 /nfs/dbraw/zinc/55/31/68/875553168.db2.gz VZOQXHVULJAVEQ-UHFFFAOYSA-N 0 3 384.461 3.741 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@]3(CO)Cc3ccccc3)co2)cc1 ZINC000475663473 875978345 /nfs/dbraw/zinc/97/83/45/875978345.db2.gz DFPGDTROCZDRQE-JOCHJYFZSA-N 0 3 393.443 3.819 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000850436041 876919224 /nfs/dbraw/zinc/91/92/24/876919224.db2.gz BVFFYRORCOXXKL-BLLLJJGKSA-N 0 3 379.457 3.557 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000850459926 876941548 /nfs/dbraw/zinc/94/15/48/876941548.db2.gz KFCNGRNKVQEHJK-ZDUSSCGKSA-N 0 3 379.457 3.701 20 5 GHBDHN O=C(CNC1(c2ccccc2)CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000477631154 877980429 /nfs/dbraw/zinc/98/04/29/877980429.db2.gz ANMZXWDPRRECDF-UHFFFAOYSA-N 0 3 397.431 3.711 20 5 GHBDHN COc1ccc(CNCc2ccn(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530640618 878252350 /nfs/dbraw/zinc/25/23/50/878252350.db2.gz DSTRRNSYDQEDAY-UHFFFAOYSA-N 0 3 381.432 3.811 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccccc1OC ZINC000537982210 878620197 /nfs/dbraw/zinc/62/01/97/878620197.db2.gz OINPNCDBYJYHBW-HOCLYGCPSA-N 0 3 376.478 3.797 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000616306906 878749061 /nfs/dbraw/zinc/74/90/61/878749061.db2.gz YDZRQBDQRDNMBN-UHFFFAOYSA-N 0 3 396.491 3.629 20 5 GHBDHN CCOC(=O)c1ccnc(NC[C@H](c2ccc(Cl)cc2)N(C)C)c1[N+](=O)[O-] ZINC000531333991 879641723 /nfs/dbraw/zinc/64/17/23/879641723.db2.gz RZDICAAERXDTQP-OAHLLOKOSA-N 0 3 392.843 3.535 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000112187026 879759619 /nfs/dbraw/zinc/75/96/19/879759619.db2.gz PJNVUDUKAOVKAB-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H]3COc4ccccc4O3)o2)c([N+](=O)[O-])c1 ZINC000520209926 880220493 /nfs/dbraw/zinc/22/04/93/880220493.db2.gz RPRWNPYBTOGLMD-MRXNPFEDSA-N 0 3 396.399 3.793 20 5 GHBDHN O=[N+]([O-])c1ccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113335979 880518288 /nfs/dbraw/zinc/51/82/88/880518288.db2.gz RYCRRUBROWYPLR-UHFFFAOYSA-N 0 3 384.417 3.959 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000791981640 880820280 /nfs/dbraw/zinc/82/02/80/880820280.db2.gz WQVSJDKHAAWDLF-TXBBLJDTSA-N 0 3 377.444 3.751 20 5 GHBDHN Nc1ccc2n(C(=O)[C@@H]3CCN(Cc4ccccc4)C3)c3ccccc3cc-2c1=O ZINC001183568340 912637319 /nfs/dbraw/zinc/63/73/19/912637319.db2.gz DXSVDWKAUUGXCW-LJQANCHMSA-N 0 3 397.478 3.851 20 5 GHBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813757 883376516 /nfs/dbraw/zinc/37/65/16/883376516.db2.gz UALSPBRCCBHQQT-PWSUYJOCSA-N 0 3 388.346 3.585 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(N(C)CCCN(C)Cc2ccco2)cc1Cl ZINC000804841622 883397521 /nfs/dbraw/zinc/39/75/21/883397521.db2.gz XFRHMWSIEWAVTN-UHFFFAOYSA-N 0 3 395.843 3.586 20 5 GHBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000498377286 884220168 /nfs/dbraw/zinc/22/01/68/884220168.db2.gz YGPMELBXLDNJQR-GOEBONIOSA-N 0 3 377.828 3.513 20 5 GHBDHN CC[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000914735136 884651100 /nfs/dbraw/zinc/65/11/00/884651100.db2.gz MLUCBPAMNANVAV-RGFVMQALSA-N 0 3 379.460 3.561 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(Cl)s1 ZINC000026250732 885364522 /nfs/dbraw/zinc/36/45/22/885364522.db2.gz FNUKJHJOXXFJDU-UHFFFAOYSA-N 0 3 383.857 3.779 20 5 GHBDHN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001130956800 885449783 /nfs/dbraw/zinc/44/97/83/885449783.db2.gz HRNJHUQHVHCPKB-GXTWGEPZSA-N 0 3 383.326 3.829 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@@H](c2ccc(OC)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000193344572 885657065 /nfs/dbraw/zinc/65/70/65/885657065.db2.gz WEDUPTPTYOXLDD-OAQYLSRUSA-N 0 3 399.447 3.682 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(OC(C)(C)C)nc1 ZINC000495440658 885808386 /nfs/dbraw/zinc/80/83/86/885808386.db2.gz VQMIFICYFAANLH-CQSZACIVSA-N 0 3 386.452 3.674 20 5 GHBDHN Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1[N+](=O)[O-] ZINC000862283535 886277152 /nfs/dbraw/zinc/27/71/52/886277152.db2.gz JVMUDBFVHXMKOH-DAYGRLMNSA-N 0 3 393.484 3.578 20 5 GHBDHN C[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000556870342 886423791 /nfs/dbraw/zinc/42/37/91/886423791.db2.gz NAPHJSKDPAGYPI-LAUBAEHRSA-N 0 3 393.491 3.528 20 5 GHBDHN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000508883060 887090628 /nfs/dbraw/zinc/09/06/28/887090628.db2.gz SUJUATMBXDUCTL-KKSFZXQISA-N 0 3 396.491 3.960 20 5 GHBDHN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487986348 887161775 /nfs/dbraw/zinc/16/17/75/887161775.db2.gz HOMAFSPIUXFVNK-JSGCOSHPSA-N 0 3 388.411 3.842 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000153766457 887931415 /nfs/dbraw/zinc/93/14/15/887931415.db2.gz ZZKMBMXZOYBXPP-ZFWWWQNUSA-N 0 3 379.457 3.654 20 5 GHBDHN COc1ccc(NC(=O)C[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000194061659 887995355 /nfs/dbraw/zinc/99/53/55/887995355.db2.gz VJSCJTYGMNNJMM-KBPBESRZSA-N 0 3 387.436 3.680 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000139187083 888458211 /nfs/dbraw/zinc/45/82/11/888458211.db2.gz GMSKLAXVEJSDCG-PKOBYXMFSA-N 0 3 397.475 3.624 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3c[nH]c4ncccc34)cs2)c1 ZINC000532783204 888936307 /nfs/dbraw/zinc/93/63/07/888936307.db2.gz SIEPANVEVLHFMI-UHFFFAOYSA-N 0 3 379.445 3.927 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454969193 890079232 /nfs/dbraw/zinc/07/92/32/890079232.db2.gz YVYLWAYHOVPWOB-RZQQEMMASA-N 0 3 382.464 3.618 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCOc3ccc(Cl)cc3)C2)nc1 ZINC000533516129 890735454 /nfs/dbraw/zinc/73/54/54/890735454.db2.gz CVOXCDUNYBUYLF-HNNXBMFYSA-N 0 3 376.844 3.599 20 5 GHBDHN CSc1nnc(CCCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1CC(C)C ZINC000872035412 891127658 /nfs/dbraw/zinc/12/76/58/891127658.db2.gz OGPWZGZNWGQJDN-ZDUSSCGKSA-N 0 3 395.504 3.987 20 5 GHBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC000872249177 891217250 /nfs/dbraw/zinc/21/72/50/891217250.db2.gz DDFCIEYADHDJFZ-NSHDSACASA-N 0 3 382.342 3.688 20 5 GHBDHN CC(COC(=O)c1ccccc1OCc1ccccc1Br)[N+](=O)[O-] ZINC000813102971 891272949 /nfs/dbraw/zinc/27/29/49/891272949.db2.gz WXKOVEDMSMEWDF-LBPRGKRZSA-N 0 3 394.221 3.850 20 5 GHBDHN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113463 891306246 /nfs/dbraw/zinc/30/62/46/891306246.db2.gz DKRGAYHIXNPCCG-LBPRGKRZSA-N 0 3 384.388 3.846 20 5 GHBDHN Cc1cc(C(F)(F)F)nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000873545074 891678852 /nfs/dbraw/zinc/67/88/52/891678852.db2.gz ONYFDFAYYJSFNH-ZANVPECISA-N 0 3 387.289 3.506 20 5 GHBDHN CC1CCN([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000152484558 891909016 /nfs/dbraw/zinc/90/90/16/891909016.db2.gz OGYIKCXFRLRYEL-GOSISDBHSA-N 0 3 387.505 3.788 20 5 GHBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCCCC1 ZINC000917840290 892641001 /nfs/dbraw/zinc/64/10/01/892641001.db2.gz UQNXYAWTYINSJV-MRXNPFEDSA-N 0 3 383.448 3.991 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCNC3(c4ccc5c(c4)OCO5)CC3)o2)c1 ZINC000537131192 894378044 /nfs/dbraw/zinc/37/80/44/894378044.db2.gz UVCXAAUURUVVEI-UHFFFAOYSA-N 0 3 393.399 3.800 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000819343279 896586643 /nfs/dbraw/zinc/58/66/43/896586643.db2.gz XOOYLAULBQPPNT-CQTFCRGUSA-N 0 3 385.489 3.749 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000820009532 897083058 /nfs/dbraw/zinc/08/30/58/897083058.db2.gz LBOFVOIZHVQHTJ-VQIMIIECSA-N 0 3 390.443 3.833 20 5 GHBDHN CN(C)CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC001136627266 898640463 /nfs/dbraw/zinc/64/04/63/898640463.db2.gz CGWPVHPAVXMPJT-UHFFFAOYSA-N 0 3 381.904 3.904 20 5 GHBDHN Cc1c(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cccc1[N+](=O)[O-] ZINC000155731712 899039099 /nfs/dbraw/zinc/03/90/99/899039099.db2.gz NCESFGQYUZKNHK-UHFFFAOYSA-N 0 3 398.419 3.805 20 5 GHBDHN O=S(=O)(CCNCc1c2ccccc2cc2ccccc21)C1CCOCC1 ZINC000824897086 899865403 /nfs/dbraw/zinc/86/54/03/899865403.db2.gz MLBOBKFVSPTDHL-UHFFFAOYSA-N 0 3 383.513 3.676 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](CO)c3cccnc3)o2)c(Cl)c1 ZINC000573996780 900732248 /nfs/dbraw/zinc/73/22/48/900732248.db2.gz HVIDYQSCOOEYEV-CQSZACIVSA-N 0 3 387.823 3.769 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H]1CCCN(CCCO)C1 ZINC001186492577 914578402 /nfs/dbraw/zinc/57/84/02/914578402.db2.gz UXIXYXLCUXYYBO-SNVBAGLBSA-N 0 3 381.782 3.526 20 5 GHBDHN Cn1cc(CN[C@H](CCCO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124402081 902064606 /nfs/dbraw/zinc/06/46/06/902064606.db2.gz KDARPVUJIYNGME-HXUWFJFHSA-N 0 3 380.448 3.599 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845872148 902473887 /nfs/dbraw/zinc/47/38/87/902473887.db2.gz CTDPDSGOBOLLKM-KZULUSFZSA-N 0 3 375.352 3.550 20 5 GHBDHN COc1ccc2c(c1)C=C(C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])CO2 ZINC000845876604 902480748 /nfs/dbraw/zinc/48/07/48/902480748.db2.gz NDKNEDYXHWZTHB-BLVKFPJESA-N 0 3 387.363 3.560 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882952 902488260 /nfs/dbraw/zinc/48/82/60/902488260.db2.gz QNQPVGQKASJHPN-NRXGSXMXSA-N 0 3 389.379 3.557 20 5 GHBDHN Cc1ccc(CNc2ccc(OCCCN3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000846050026 902637901 /nfs/dbraw/zinc/63/79/01/902637901.db2.gz VZPMUFYLCKEDDF-UHFFFAOYSA-N 0 3 398.507 3.532 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC001147288962 903757150 /nfs/dbraw/zinc/75/71/50/903757150.db2.gz YHKFCJCSIQVENI-HNNXBMFYSA-N 0 3 379.526 3.946 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C2CCCCC2)CC1 ZINC000141677120 903954560 /nfs/dbraw/zinc/95/45/60/903954560.db2.gz WEVVCZZVNYZADX-OAHLLOKOSA-N 0 3 385.468 3.656 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000801601085 921179282 /nfs/dbraw/zinc/17/92/82/921179282.db2.gz ALNLSEJFCJTDHQ-UHFFFAOYSA-N 0 3 378.428 3.864 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3cccc(F)c3F)CC2)c(F)c1 ZINC001173008493 906083449 /nfs/dbraw/zinc/08/34/49/906083449.db2.gz AYYFBWXFERVWRD-UHFFFAOYSA-N 0 3 383.345 3.910 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001173223068 906302809 /nfs/dbraw/zinc/30/28/09/906302809.db2.gz XASKWRJHZYDQGS-WBAXXEDZSA-N 0 3 375.469 3.610 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001173225968 906309445 /nfs/dbraw/zinc/30/94/45/906309445.db2.gz GTPGSTHFKVMLRY-YPMHNXCESA-N 0 3 384.358 3.807 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000182507723 907219148 /nfs/dbraw/zinc/21/91/48/907219148.db2.gz MIHARLTVNIYWCF-JQIJEIRASA-N 0 3 383.448 3.714 20 5 GHBDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000182533683 907224433 /nfs/dbraw/zinc/22/44/33/907224433.db2.gz AKXMDCGIBZLZDV-AWEZNQCLSA-N 0 3 384.436 3.541 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)c1ccc(F)cc1F ZINC001176174661 907958119 /nfs/dbraw/zinc/95/81/19/907958119.db2.gz FLNLEXWVQUMPFT-UHFFFAOYSA-N 0 3 393.390 3.735 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000775440366 917794044 /nfs/dbraw/zinc/79/40/44/917794044.db2.gz ZUJKJORQHNFCMK-NRFANRHFSA-N 0 3 383.448 3.599 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000800893581 920575174 /nfs/dbraw/zinc/57/51/74/920575174.db2.gz QSHPZGIFCUTKQI-MRXNPFEDSA-N 0 3 381.448 3.859 20 5 GHBDHN CC(C)(CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000827594289 925820619 /nfs/dbraw/zinc/82/06/19/925820619.db2.gz FPAWTVUFUSKFIF-INIZCTEOSA-N 0 3 377.268 3.559 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000726601059 926755915 /nfs/dbraw/zinc/75/59/15/926755915.db2.gz PQJKUDHOKOSOFT-CRAIPNDOSA-N 0 3 377.485 3.905 20 5 GHBDHN COc1ccc(CCC2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000749661718 927225982 /nfs/dbraw/zinc/22/59/82/927225982.db2.gz IIRYLFHGNOEILO-JOCHJYFZSA-N 0 3 384.476 3.982 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000544119684 928829495 /nfs/dbraw/zinc/82/94/95/928829495.db2.gz CZVNDDORWHBXLZ-HRAATJIYSA-N 0 3 388.439 3.995 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000470174086 930430697 /nfs/dbraw/zinc/43/06/97/930430697.db2.gz QBPKGORXQXEPML-FXFXYLOPSA-N 0 3 377.448 3.920 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000470174822 930431946 /nfs/dbraw/zinc/43/19/46/930431946.db2.gz WGHIEEYEYOYAJN-SAPNQHFASA-N 0 3 379.460 3.893 20 5 GHBDHN CCOc1cc(NC2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000470207852 930453414 /nfs/dbraw/zinc/45/34/14/930453414.db2.gz XANKFMANABXDPC-LFIBNONCSA-N 0 3 397.479 3.763 20 5 GHBDHN Cc1cccc2nc(C3CCN(C[C@@H](O)c4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000781994355 931055366 /nfs/dbraw/zinc/05/53/66/931055366.db2.gz DAQZOSRIRVSGJF-LJQANCHMSA-N 0 3 381.432 3.957 20 5 GHBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000783240717 931471885 /nfs/dbraw/zinc/47/18/85/931471885.db2.gz OXVNTLFKIHJWHC-MGPLVRAMSA-N 0 3 383.217 3.881 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC000557930752 931759453 /nfs/dbraw/zinc/75/94/53/931759453.db2.gz JQBZWNMPSTUGTF-KXBFYZLASA-N 0 3 390.443 3.536 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000797519138 932317606 /nfs/dbraw/zinc/31/76/06/932317606.db2.gz WQMMGTBEYVELOQ-UHFFFAOYSA-N 0 3 393.484 3.871 20 5 GHBDHN COCCO[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000559074148 932414551 /nfs/dbraw/zinc/41/45/51/932414551.db2.gz VTDVYSYMPDSYOL-KRWDZBQOSA-N 0 3 376.478 3.951 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000830326956 935931168 /nfs/dbraw/zinc/93/11/68/935931168.db2.gz LPDAKYDUJNDJFY-INIZCTEOSA-N 0 3 382.338 3.806 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000468636291 1015863710 /nfs/dbraw/zinc/86/37/10/1015863710.db2.gz ZBQMJPPBRRVCRW-HZBHDWBUSA-N 0 3 395.459 3.905 20 5 GHBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc4ccc5cccnc5c43)C[C@H]1N2C ZINC001227763687 1032545822 /nfs/dbraw/zinc/54/58/22/1032545822.db2.gz GRWJIIVNYKQCJN-HUUJSLGLSA-N 0 3 376.456 3.934 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC001204412353 1032838826 /nfs/dbraw/zinc/83/88/26/1032838826.db2.gz ALMKMMYSNHXYEG-UHFFFAOYSA-N 0 3 398.463 3.563 20 5 GHBDHN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCCN(Cc4ccccc4)C3)cc2N1 ZINC000195665889 1020971220 /nfs/dbraw/zinc/97/12/20/1020971220.db2.gz CXWHLDRWEAWPAR-KRWDZBQOSA-N 0 3 380.448 3.556 20 5 GHBDHN Cc1cc(=O)oc2cc(OCCNC(C)(C)c3ccccc3[N+](=O)[O-])ccc12 ZINC000795220298 1020992489 /nfs/dbraw/zinc/99/24/89/1020992489.db2.gz KXZPXWPOLRSJRO-UHFFFAOYSA-N 0 3 382.416 3.913 20 5 GHBDHN CC(C)C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(=O)OCc1ccccc1 ZINC001162079412 1025590244 /nfs/dbraw/zinc/59/02/44/1025590244.db2.gz AYDIFPHFGONYKN-IBGZPJMESA-N 0 3 383.448 3.768 20 5 GHBDHN COc1cc(C)nc(N(C)[C@H]2CN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001165182457 1026651335 /nfs/dbraw/zinc/65/13/35/1026651335.db2.gz NLARADYGEQIZTQ-QAPCUYQASA-N 0 3 384.480 3.654 20 5 GHBDHN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001165351978 1026710917 /nfs/dbraw/zinc/71/09/17/1026710917.db2.gz OQGDOYXFYHZAOM-DOTOQJQBSA-N 0 3 380.835 3.872 20 5 GHBDHN c1cnc2c(c1)ccc1c(-c3nc(-c4ccc5c(n4)CCNC5)no3)ccnc12 ZINC001217591394 1030516542 /nfs/dbraw/zinc/51/65/42/1030516542.db2.gz FHWUOMYTIGJCOP-UHFFFAOYSA-N 0 3 380.411 3.541 20 5 GHBDHN COc1cc(Br)c(O[C@@H]2CNCc3ccccc32)c([N+](=O)[O-])c1 ZINC001218485218 1030956775 /nfs/dbraw/zinc/95/67/75/1030956775.db2.gz FFIWXHMUDPUCEK-OAHLLOKOSA-N 0 3 379.210 3.589 20 5 GHBDHN Cc1c(CN[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000720703610 1031153557 /nfs/dbraw/zinc/15/35/57/1031153557.db2.gz QEYKJRRLXBYEKJ-LJQANCHMSA-N 0 3 383.448 3.794 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225888485 1031676727 /nfs/dbraw/zinc/67/67/27/1031676727.db2.gz BXIAVFKIHGERIS-UGSOOPFHSA-N 0 3 389.383 3.932 20 5 GHBDHN CCC[C@](C)(NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC001461819891 1069770126 /nfs/dbraw/zinc/77/01/26/1069770126.db2.gz UEKBTYVFVYRZNX-NRFANRHFSA-N 0 3 386.448 3.952 20 5 GHBDHN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCCN(C)CC1 ZINC001229246498 1033366391 /nfs/dbraw/zinc/36/63/91/1033366391.db2.gz IAOCZCCNEQOCOK-LBPRGKRZSA-N 0 3 385.258 3.813 20 5 GHBDHN CCc1cc(N2CCN[C@H](c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157767294 1033762255 /nfs/dbraw/zinc/76/22/55/1033762255.db2.gz VGYOFVCQQLHDGH-FQEVSTJZSA-N 0 3 389.459 3.765 20 5 GHBDHN C[C@@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001230216227 1033947499 /nfs/dbraw/zinc/94/74/99/1033947499.db2.gz CGRYBKDUMJSFDU-LZLYRXPVSA-N 0 3 382.464 3.618 20 5 GHBDHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3c(C)ccc([N+](=O)[O-])c3C)C2)nc1 ZINC001461883084 1069831227 /nfs/dbraw/zinc/83/12/27/1069831227.db2.gz WNAFLYHRBUIXFH-KRWDZBQOSA-N 0 3 382.464 3.766 20 5 GHBDHN CN1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C2(CCCC2)C1 ZINC001158409731 1034065357 /nfs/dbraw/zinc/06/53/57/1034065357.db2.gz AWKLVPWDLFUVBW-UHFFFAOYSA-N 0 3 387.871 3.770 20 5 GHBDHN COc1cc(O[C@@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)ccn1 ZINC001232227040 1035171944 /nfs/dbraw/zinc/17/19/44/1035171944.db2.gz FCUQMFUHSBYXJC-HXUWFJFHSA-N 0 3 386.455 3.840 20 5 GHBDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001248635544 1036015540 /nfs/dbraw/zinc/01/55/40/1036015540.db2.gz GPBCDMGGMHYLOK-QZTJIDSGSA-N 0 3 396.491 3.819 20 5 GHBDHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001254474028 1040259588 /nfs/dbraw/zinc/25/95/88/1040259588.db2.gz NDUHOLPYCVNJNY-WMZOPIPTSA-N 0 3 382.464 3.538 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccccc1I ZINC001254539619 1040310871 /nfs/dbraw/zinc/31/08/71/1040310871.db2.gz GCYSMUFBOHBYLL-GFCCVEGCSA-N 0 3 396.228 3.920 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254553863 1040322990 /nfs/dbraw/zinc/32/29/90/1040322990.db2.gz ZSLARZSFRHUIKB-DOTOQJQBSA-N 0 3 377.485 3.905 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001254554189 1040323743 /nfs/dbraw/zinc/32/37/43/1040323743.db2.gz ANEVYFWBIUKZNW-FXAWDEMLSA-N 0 3 393.487 3.664 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001254560775 1040334225 /nfs/dbraw/zinc/33/42/25/1040334225.db2.gz YDPFTQJNKMNLFR-CVEARBPZSA-N 0 3 377.485 3.763 20 5 GHBDHN Cc1ccc(N2C[C@@]3(CCN([C@@H]4Cc5ccc([N+](=O)[O-])cc5C4)C3)CC2=O)s1 ZINC001254595105 1040368348 /nfs/dbraw/zinc/36/83/48/1040368348.db2.gz JBGSMQYZQFEUCO-NQIIRXRSSA-N 0 3 397.500 3.561 20 5 GHBDHN COc1cc(N2CCC(NCc3noc4ccccc34)CC2)ccc1[N+](=O)[O-] ZINC001256103661 1041530480 /nfs/dbraw/zinc/53/04/80/1041530480.db2.gz WYEQEKIIWDTXGU-UHFFFAOYSA-N 0 3 382.420 3.503 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001292110059 1043596618 /nfs/dbraw/zinc/59/66/18/1043596618.db2.gz QYBNSEUKGQECBA-RHSMWYFYSA-N 0 3 387.867 3.742 20 5 GHBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001307514061 1049356174 /nfs/dbraw/zinc/35/61/74/1049356174.db2.gz PODNJLSCOBBLEG-AWEZNQCLSA-N 0 3 399.278 3.950 20 5 GHBDHN CC(C)C1CCC(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC001307516712 1049357730 /nfs/dbraw/zinc/35/77/30/1049357730.db2.gz ITZBHZKUJZCKGW-UHFFFAOYSA-N 0 3 385.512 3.804 20 5 GHBDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC001308804706 1050101385 /nfs/dbraw/zinc/10/13/85/1050101385.db2.gz UREHWMQFRCTIIG-KRWDZBQOSA-N 0 3 382.382 3.924 20 5 GHBDHN Cc1ccc(CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001313156967 1052971728 /nfs/dbraw/zinc/97/17/28/1052971728.db2.gz SZGPLRPBUTVEGG-HXUWFJFHSA-N 0 3 396.491 3.757 20 5 GHBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001318056710 1054378585 /nfs/dbraw/zinc/37/85/85/1054378585.db2.gz OWGXUJYXZROWFU-HXUWFJFHSA-N 0 3 382.464 3.512 20 5 GHBDHN Cc1ccc(CN2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC001318984049 1054977789 /nfs/dbraw/zinc/97/77/89/1054977789.db2.gz MZLUNYIZFYDQNG-UHFFFAOYSA-N 0 3 380.448 3.752 20 5 GHBDHN Cc1ccc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001322277039 1056602145 /nfs/dbraw/zinc/60/21/45/1056602145.db2.gz ICDPSLFDSAWCKD-UHFFFAOYSA-N 0 3 384.436 3.519 20 5 GHBDHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001326280504 1057446504 /nfs/dbraw/zinc/44/65/04/1057446504.db2.gz PWRMOXNXGJLBLY-DLBZAZTESA-N 0 3 388.395 3.958 20 5 GHBDHN CN(C)C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC001450686377 1060655518 /nfs/dbraw/zinc/65/55/18/1060655518.db2.gz CLMAPOBPPMMJDM-SFHVURJKSA-N 0 3 393.846 3.739 20 5 GHBDHN COc1ccc(NC(=O)N2CCCN(Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC001347770664 1062645951 /nfs/dbraw/zinc/64/59/51/1062645951.db2.gz AINUINJQUKNFMB-UHFFFAOYSA-N 0 3 398.463 3.652 20 5 GHBDHN CCN(CC)[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)c1ccco1 ZINC001458135234 1063592017 /nfs/dbraw/zinc/59/20/17/1063592017.db2.gz GPYGCHMNPXTAGU-QGZVFWFLSA-N 0 3 375.425 3.778 20 5 GHBDHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001438983115 1064153418 /nfs/dbraw/zinc/15/34/18/1064153418.db2.gz XBSRJESHYLYVEO-IBGZPJMESA-N 0 3 385.439 3.861 20 5 GHBDHN CN1C[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472028127 1073310033 /nfs/dbraw/zinc/31/00/33/1073310033.db2.gz ABCAWHKIYKVDGE-SFHVURJKSA-N 0 3 385.489 3.816 20 5 GHBDHN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001479158860 1079129055 /nfs/dbraw/zinc/12/90/55/1079129055.db2.gz SXULSBRTGBAYFH-VQIMIIECSA-N 0 3 382.464 3.538 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC001473692204 1074089770 /nfs/dbraw/zinc/08/97/70/1074089770.db2.gz XSFPAPSYWCZGOD-QGZVFWFLSA-N 0 3 385.247 3.994 20 5 GHBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]([C@H]3CCOC3)C2)c(Br)c1 ZINC001473869682 1074182995 /nfs/dbraw/zinc/18/29/95/1074182995.db2.gz AXIQAGUXRSPDIL-HIFRSBDPSA-N 0 3 383.286 3.996 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@@]3(C)CCC(=O)N3)cc2[N+](=O)[O-])cc1 ZINC001474170205 1074282367 /nfs/dbraw/zinc/28/23/67/1074282367.db2.gz LVCZQMZTHHTQBJ-HXUWFJFHSA-N 0 3 385.489 3.813 20 5 GHBDHN COc1ccc(C[C@H](C)CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC001474378132 1074373292 /nfs/dbraw/zinc/37/32/92/1074373292.db2.gz IEAFSWGMHGPVHW-INIZCTEOSA-N 0 3 387.455 3.743 20 5 GHBDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180828253 837580503 /nfs/dbraw/zinc/58/05/03/837580503.db2.gz OJHSRTZQYDOGSH-STQMWFEESA-N 0 3 382.507 3.797 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000176723419 837725054 /nfs/dbraw/zinc/72/50/54/837725054.db2.gz QXUMLWWXBYYCOQ-GOSISDBHSA-N 0 3 396.491 3.882 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000471126430 834813590 /nfs/dbraw/zinc/81/35/90/834813590.db2.gz YPCOZYGWBSOURG-SFHVURJKSA-N 0 3 399.491 3.880 20 5 GHBDHN O=C(CN1CCC[C@@H]1CCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001167072626 835233060 /nfs/dbraw/zinc/23/30/60/835233060.db2.gz SOGMLRKTNVCRIZ-LJQANCHMSA-N 0 3 379.460 3.581 20 5 GHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCN1CCCC1)c1ccccc1 ZINC000536189886 835403356 /nfs/dbraw/zinc/40/33/56/835403356.db2.gz CWMDVBONUYAWSV-UHFFFAOYSA-N 0 3 392.459 3.748 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])o1 ZINC000410568947 835955092 /nfs/dbraw/zinc/95/50/92/835955092.db2.gz DMFKNWBZFUAYGA-UHFFFAOYSA-N 0 3 399.369 3.719 20 5 GHBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000065936457 836252089 /nfs/dbraw/zinc/25/20/89/836252089.db2.gz XSLYRBKUQFGDOT-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000065940060 836277264 /nfs/dbraw/zinc/27/72/64/836277264.db2.gz SDMZTFMFUJLONJ-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000065938759 836283041 /nfs/dbraw/zinc/28/30/41/836283041.db2.gz IYAAFHWEFAHCLJ-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN COc1cc(CN(C(C)C)C2CCOCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180188386 836596212 /nfs/dbraw/zinc/59/62/12/836596212.db2.gz NMZCOUNKEAANBN-UHFFFAOYSA-N 0 3 388.411 3.637 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510951220 844239263 /nfs/dbraw/zinc/23/92/63/844239263.db2.gz KYVKJGVDKBCYDH-KGLIPLIRSA-N 0 3 387.402 3.745 20 5 GHBDHN CCOc1ccc(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000186311573 837155059 /nfs/dbraw/zinc/15/50/59/837155059.db2.gz OMNJUOQZUTXCRH-LJQANCHMSA-N 0 3 397.475 3.730 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000065141096 844241533 /nfs/dbraw/zinc/24/15/33/844241533.db2.gz MDKUBBPKYDDEFT-WMLDXEAASA-N 0 3 378.432 3.641 20 5 GHBDHN Cc1c(Br)cc(C(=O)Nc2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000548997340 837312779 /nfs/dbraw/zinc/31/27/79/837312779.db2.gz HHMFVSBAGXWMAO-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN COc1cc(CNC2CCC(O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588621 837964673 /nfs/dbraw/zinc/96/46/73/837964673.db2.gz JKUPDADONOOTPR-UHFFFAOYSA-N 0 3 386.448 3.576 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000471520443 838677591 /nfs/dbraw/zinc/67/75/91/838677591.db2.gz FDFXUAIVTGQVGF-WBVHZDCISA-N 0 3 375.856 3.543 20 5 GHBDHN CC(C)N1CCN(c2cccc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000580268370 839154383 /nfs/dbraw/zinc/15/43/83/839154383.db2.gz UDEYOZHGJQXCLN-QGZVFWFLSA-N 0 3 396.491 3.867 20 5 GHBDHN Cc1c(CC(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cccc1[N+](=O)[O-] ZINC000122485199 839636457 /nfs/dbraw/zinc/63/64/57/839636457.db2.gz LDRIJQURLLZSHB-UHFFFAOYSA-N 0 3 396.491 3.615 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000119358347 840487162 /nfs/dbraw/zinc/48/71/62/840487162.db2.gz DPKHVDVOFLJMAL-UHFFFAOYSA-N 0 3 392.253 3.600 20 5 GHBDHN CCNC(=O)COc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417309070 840706620 /nfs/dbraw/zinc/70/66/20/840706620.db2.gz DGKYTTLPIXZMGV-OAQYLSRUSA-N 0 3 397.475 3.667 20 5 GHBDHN Cc1cc(NCCNC(=O)c2c(F)cccc2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000302064552 861194918 /nfs/dbraw/zinc/19/49/18/861194918.db2.gz AOCZXTMDCFJGKX-UHFFFAOYSA-N 0 3 386.358 3.572 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000236758413 842305281 /nfs/dbraw/zinc/30/52/81/842305281.db2.gz GWWSDHXHFCBJLH-UHFFFAOYSA-N 0 3 375.222 3.923 20 5 GHBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1=CCN(C)CC1 ZINC000512113549 842540349 /nfs/dbraw/zinc/54/03/49/842540349.db2.gz LMIZJJKUWBWJJR-INIZCTEOSA-N 0 3 394.475 3.587 20 5 GHBDHN CC(C)NC(=O)c1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302835191 861381651 /nfs/dbraw/zinc/38/16/51/861381651.db2.gz UVUNVRASBLWVNK-UYAOXDASSA-N 0 3 382.464 3.590 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N(C)C)cc1 ZINC000572639040 843909205 /nfs/dbraw/zinc/90/92/05/843909205.db2.gz XUNORHQULOWESD-SFHVURJKSA-N 0 3 398.488 3.831 20 5 GHBDHN O=C(N1CCCC1)N1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000512893378 843945371 /nfs/dbraw/zinc/94/53/71/843945371.db2.gz CENVCINRPXUIEU-KRWDZBQOSA-N 0 3 398.463 3.625 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000509772845 845141399 /nfs/dbraw/zinc/14/13/99/845141399.db2.gz LXFCIRCRXBYRPV-UHFFFAOYSA-N 0 3 384.480 3.647 20 5 GHBDHN Cc1cnc(C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2)s1 ZINC000277256367 845437875 /nfs/dbraw/zinc/43/78/75/845437875.db2.gz AAOPDVAXLGVKHR-UHFFFAOYSA-N 0 3 392.456 3.707 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1Cl ZINC000513484904 845536080 /nfs/dbraw/zinc/53/60/80/845536080.db2.gz MZLDKHUFUQEJPP-KRWDZBQOSA-N 0 3 378.856 3.899 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000555719920 861688275 /nfs/dbraw/zinc/68/82/75/861688275.db2.gz OWYKANQSFSKKNR-IIBYNOLFSA-N 0 3 399.491 3.906 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCC[C@H]2CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000502844744 846536470 /nfs/dbraw/zinc/53/64/70/846536470.db2.gz UQEGTQJIJOFABU-YRISNDGFSA-N 0 3 397.475 3.724 20 5 GHBDHN CC[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)N1CCc2ccccc2C1 ZINC000501393426 846887428 /nfs/dbraw/zinc/88/74/28/846887428.db2.gz ZLZLJCCHCJKTNK-SFHVURJKSA-N 0 3 382.464 3.862 20 5 GHBDHN O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000158606666 847138846 /nfs/dbraw/zinc/13/88/46/847138846.db2.gz DHOSRTVGCDAVEP-UHFFFAOYSA-N 0 3 399.422 3.657 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(Cl)c(F)c1 ZINC000127654018 847210082 /nfs/dbraw/zinc/21/00/82/847210082.db2.gz RLNYVHLIHXQYDK-UHFFFAOYSA-N 0 3 395.818 3.857 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000502184224 847574668 /nfs/dbraw/zinc/57/46/68/847574668.db2.gz DZSGTFYERKAWJQ-LRDDRELGSA-N 0 3 394.859 3.770 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000503525404 847769228 /nfs/dbraw/zinc/76/92/28/847769228.db2.gz DTSDIBSXAZKFPS-PKOBYXMFSA-N 0 3 383.448 3.569 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604127371 861861871 /nfs/dbraw/zinc/86/18/71/861861871.db2.gz VESZZPIQLCWDFI-LPHOPBHVSA-N 0 3 382.464 3.620 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000481624915 861882554 /nfs/dbraw/zinc/88/25/54/861882554.db2.gz LISGKPOCWLJMRN-UHFFFAOYSA-N 0 3 376.844 3.674 20 5 GHBDHN O=C(CCN[C@@H]1CCSc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000548761760 848261393 /nfs/dbraw/zinc/26/13/93/848261393.db2.gz SPAGBRVCIMHYDE-CQSZACIVSA-N 0 3 375.425 3.889 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611713207 848269559 /nfs/dbraw/zinc/26/95/59/848269559.db2.gz ZXRHDVBGECAKQX-JKSUJKDBSA-N 0 3 377.448 3.637 20 5 GHBDHN C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000057398837 862073686 /nfs/dbraw/zinc/07/36/86/862073686.db2.gz FOLBIMJENGROOM-OXQOHEQNSA-N 0 3 382.464 3.792 20 5 GHBDHN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000505580689 849960360 /nfs/dbraw/zinc/96/03/60/849960360.db2.gz HWIWFUFBEWMMLX-AUUYWEPGSA-N 0 3 387.455 3.819 20 5 GHBDHN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000505615111 850129592 /nfs/dbraw/zinc/12/95/92/850129592.db2.gz UYTISMKWVVKFBW-IERDGZPVSA-N 0 3 384.480 3.595 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H]3CCO[C@@H]3c3cccnc3)o2)c([N+](=O)[O-])c1 ZINC000486918055 850228808 /nfs/dbraw/zinc/22/88/08/850228808.db2.gz XSPXAXTWCZLZLR-GHTZIAJQSA-N 0 3 395.415 3.878 20 5 GHBDHN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425007921 850859377 /nfs/dbraw/zinc/85/93/77/850859377.db2.gz OJTPDVBBFVQQCU-MAUKXSAKSA-N 0 3 385.851 3.595 20 5 GHBDHN CCCN1CCC(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435832910 850896265 /nfs/dbraw/zinc/89/62/65/850896265.db2.gz BTXGHEGLTCRBNY-UHFFFAOYSA-N 0 3 399.441 3.564 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000515389717 850958629 /nfs/dbraw/zinc/95/86/29/850958629.db2.gz KCKPWRRIQCAJDU-SFHVURJKSA-N 0 3 386.839 3.762 20 5 GHBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000425446761 851107239 /nfs/dbraw/zinc/10/72/39/851107239.db2.gz QPAINLKZBKUTTO-DGCLKSJQSA-N 0 3 379.201 3.997 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)n1 ZINC000489047476 851966625 /nfs/dbraw/zinc/96/66/25/851966625.db2.gz VTLUAZNBEDXGRY-UHFFFAOYSA-N 0 3 393.447 3.602 20 5 GHBDHN O=C(c1ccccc1)c1ccc(N2CCC[C@@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000489881337 852621732 /nfs/dbraw/zinc/62/17/32/852621732.db2.gz HJYBGWOSPKUZLF-LJQANCHMSA-N 0 3 379.460 3.890 20 5 GHBDHN CC[C@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000543886967 852709247 /nfs/dbraw/zinc/70/92/47/852709247.db2.gz XXVHPVFYZCOPQK-GOSISDBHSA-N 0 3 398.463 3.562 20 5 GHBDHN O=C1c2ccccc2C(=O)N1CCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490016534 852725807 /nfs/dbraw/zinc/72/58/07/852725807.db2.gz WGMGCIDTDHJDOS-UHFFFAOYSA-N 0 3 393.443 3.636 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000490548571 853085858 /nfs/dbraw/zinc/08/58/58/853085858.db2.gz XCPCJEGXKHPVQZ-SUMWQHHRSA-N 0 3 377.510 3.555 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000490548568 853085896 /nfs/dbraw/zinc/08/58/96/853085896.db2.gz XCPCJEGXKHPVQZ-GUYCJALGSA-N 0 3 377.510 3.555 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])c1ccsc1 ZINC000843765633 853947912 /nfs/dbraw/zinc/94/79/12/853947912.db2.gz FMPLIYUZUIVBRZ-MRXNPFEDSA-N 0 3 379.457 3.917 20 5 GHBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(CCC(C)(C)C)CC1 ZINC000055935967 854259495 /nfs/dbraw/zinc/25/94/95/854259495.db2.gz PTNZJVUKPKXGHJ-CQSZACIVSA-N 0 3 396.919 3.629 20 5 GHBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@@H]2C1 ZINC000590447105 855424458 /nfs/dbraw/zinc/42/44/58/855424458.db2.gz YHZHURSNVARJPO-DNVCBOLYSA-N 0 3 383.473 3.522 20 5 GHBDHN C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000573047955 855704206 /nfs/dbraw/zinc/70/42/06/855704206.db2.gz GDVSEDKHDMOJHD-QRWLVFNGSA-N 0 3 395.459 3.606 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733107747 862722843 /nfs/dbraw/zinc/72/28/43/862722843.db2.gz XQZWIRZZGGGWJX-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN COC(=O)COc1ccc(CN2C[C@@H](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000574765492 855848835 /nfs/dbraw/zinc/84/88/35/855848835.db2.gz LXNBIYZHNADMGF-MAUKXSAKSA-N 0 3 384.432 3.730 20 5 GHBDHN CC(C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592695055 857027834 /nfs/dbraw/zinc/02/78/34/857027834.db2.gz UCBIIOFBWIBXGQ-OAQYLSRUSA-N 0 3 381.476 3.649 20 5 GHBDHN COc1ccc(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592694965 857028236 /nfs/dbraw/zinc/02/82/36/857028236.db2.gz QHLFAMSVXPFLGW-LJQANCHMSA-N 0 3 397.475 3.729 20 5 GHBDHN CC(C)c1n[nH]c(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592872883 857119293 /nfs/dbraw/zinc/11/92/93/857119293.db2.gz MQUUBWNOUJEHAR-KRWDZBQOSA-N 0 3 399.495 3.566 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(-n3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000174377925 857274630 /nfs/dbraw/zinc/27/46/30/857274630.db2.gz VZNRDIAJCTUZRJ-HOTGVXAUSA-N 0 3 393.447 3.767 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H](C)COCC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000520956832 857436664 /nfs/dbraw/zinc/43/66/64/857436664.db2.gz DLSMHFQVPXTMPE-LLVKDONJSA-N 0 3 388.342 3.920 20 5 GHBDHN CC(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000520976731 857470944 /nfs/dbraw/zinc/47/09/44/857470944.db2.gz WUOUNOIZMYRWCF-HXUWFJFHSA-N 0 3 385.439 3.547 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3C)c(C)c2)CC1 ZINC000113526932 857546884 /nfs/dbraw/zinc/54/68/84/857546884.db2.gz UVUUHDFRVYVUOJ-UHFFFAOYSA-N 0 3 397.479 3.998 20 5 GHBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000593871580 857751697 /nfs/dbraw/zinc/75/16/97/857751697.db2.gz LHUKCWOKQJGJLG-HDICACEKSA-N 0 3 391.515 3.534 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNc3ccc([C@H]4CNCCO4)cc3)cs2)c1 ZINC000594738448 858269380 /nfs/dbraw/zinc/26/93/80/858269380.db2.gz DGNKBSSHUCDZSN-LJQANCHMSA-N 0 3 396.472 3.991 20 5 GHBDHN CCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592830098 858296206 /nfs/dbraw/zinc/29/62/06/858296206.db2.gz BLKMIEMUDDLDHH-IBGZPJMESA-N 0 3 396.491 3.763 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000595037603 858375616 /nfs/dbraw/zinc/37/56/16/858375616.db2.gz AEYBNWZKRRMQPW-DGCLKSJQSA-N 0 3 398.381 3.523 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCN2CCSCC2)ccc1Oc1ccc(F)cc1 ZINC000522137370 858659044 /nfs/dbraw/zinc/65/90/44/858659044.db2.gz OAULVUOALBLHHK-UHFFFAOYSA-N 0 3 391.468 3.665 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000160283102 858780265 /nfs/dbraw/zinc/78/02/65/858780265.db2.gz MNFVAZYYHSLWAC-IBGZPJMESA-N 0 3 389.427 3.555 20 5 GHBDHN COc1ccc(C[C@@H](C)NCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC001170318161 881349008 /nfs/dbraw/zinc/34/90/08/881349008.db2.gz NPRSBFFWLNVHJD-OAHLLOKOSA-N 0 3 393.443 3.916 20 5 GHBDHN Cc1cc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc([N+](=O)[O-])c1 ZINC000138667977 858958087 /nfs/dbraw/zinc/95/80/87/858958087.db2.gz OZURIJUDOIJNMK-UHFFFAOYSA-N 0 3 385.489 3.747 20 5 GHBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000068585895 859099617 /nfs/dbraw/zinc/09/96/17/859099617.db2.gz HRFKYZTXWZTNPN-OAHLLOKOSA-N 0 3 388.443 3.568 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000509399264 859314109 /nfs/dbraw/zinc/31/41/09/859314109.db2.gz LGEXRHJUVNKLJC-FQEVSTJZSA-N 0 3 396.491 3.789 20 5 GHBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC[C@@H]2N1 ZINC000597205847 859359789 /nfs/dbraw/zinc/35/97/89/859359789.db2.gz LIHURCIBIGIWPV-SJCJKPOMSA-N 0 3 389.839 3.609 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000161074329 859548699 /nfs/dbraw/zinc/54/86/99/859548699.db2.gz YVFWKZASJIPCGH-KRWDZBQOSA-N 0 3 387.505 3.610 20 5 GHBDHN COc1ccccc1C[C@@H]1CCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611266514 859673830 /nfs/dbraw/zinc/67/38/30/859673830.db2.gz NTGGRJJOJPSDJS-KRWDZBQOSA-N 0 3 384.432 3.582 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000597667103 859715328 /nfs/dbraw/zinc/71/53/28/859715328.db2.gz LQMSNLUPVNYYRJ-UHFFFAOYSA-N 0 3 397.475 3.668 20 5 GHBDHN C[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459165 859777628 /nfs/dbraw/zinc/77/76/28/859777628.db2.gz QRQURJLUJPRQTP-CRAIPNDOSA-N 0 3 385.439 3.570 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000593436359 859839672 /nfs/dbraw/zinc/83/96/72/859839672.db2.gz FHPCQVXWCDPIHB-HXUWFJFHSA-N 0 3 385.439 3.538 20 5 GHBDHN CCOc1ccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000250503521 859846649 /nfs/dbraw/zinc/84/66/49/859846649.db2.gz BOLMLLIUZZJAMT-CRAIPNDOSA-N 0 3 383.448 3.559 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@H]2CCO[C@H](c3ccncc3)C2)cc1Br ZINC000602680484 860212909 /nfs/dbraw/zinc/21/29/09/860212909.db2.gz GQOLHETZYYJNBF-FZMZJTMJSA-N 0 3 398.282 3.824 20 5 GHBDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000093613711 860316743 /nfs/dbraw/zinc/31/67/43/860316743.db2.gz FOSMTPIDRIOAGC-WOJBJXKFSA-N 0 3 386.448 3.607 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000155237864 860451480 /nfs/dbraw/zinc/45/14/80/860451480.db2.gz HYBORFYRXRXTRC-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN CSc1ccc([C@@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000840767917 863980618 /nfs/dbraw/zinc/98/06/18/863980618.db2.gz SIYOJVSUJDWLBA-QGZVFWFLSA-N 0 3 390.534 3.906 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475288232 864718987 /nfs/dbraw/zinc/71/89/87/864718987.db2.gz XVPWWGJCXXSQHJ-PXNSSMCTSA-N 0 3 396.491 3.880 20 5 GHBDHN C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184912945 865037489 /nfs/dbraw/zinc/03/74/89/865037489.db2.gz AOWMRJPZBSOWTK-CXAGYDPISA-N 0 3 391.468 3.852 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594195124 865341972 /nfs/dbraw/zinc/34/19/72/865341972.db2.gz CFEVLAHXINLBEU-IRXDYDNUSA-N 0 3 377.510 3.842 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@@H](O)c3cnn(C)c3)cc2[N+](=O)[O-])cc1 ZINC000742376492 867270748 /nfs/dbraw/zinc/27/07/48/867270748.db2.gz VKDBLDHUULIAAM-LJQANCHMSA-N 0 3 398.488 3.611 20 5 GHBDHN COC[C@H](CCO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000523518727 867480233 /nfs/dbraw/zinc/48/02/33/867480233.db2.gz OSDRTEQOLSNGMF-AWEZNQCLSA-N 0 3 380.828 3.528 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H](O)C4(CC4)C3)o2)c(Br)c1 ZINC000428384248 867554372 /nfs/dbraw/zinc/55/43/72/867554372.db2.gz WZIPTCVTLXYGKS-MRXNPFEDSA-N 0 3 393.237 3.574 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534992872 867916254 /nfs/dbraw/zinc/91/62/54/867916254.db2.gz IAPXPPLZDBWIBS-UHFFFAOYSA-N 0 3 392.459 3.813 20 5 GHBDHN C[C@H](OC(=O)C1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000744066814 868583418 /nfs/dbraw/zinc/58/34/18/868583418.db2.gz WXDFJGFSUMLKEN-BLLLJJGKSA-N 0 3 388.807 3.906 20 5 GHBDHN CC(C)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000540427085 871257660 /nfs/dbraw/zinc/25/76/60/871257660.db2.gz OAKDOOPMXHKETB-DNVCBOLYSA-N 0 3 380.391 3.600 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463278546 871315869 /nfs/dbraw/zinc/31/58/69/871315869.db2.gz NRHYDYBQPCYADC-OXJNMPFZSA-N 0 3 396.491 3.650 20 5 GHBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525779240 871425180 /nfs/dbraw/zinc/42/51/80/871425180.db2.gz QJIMUFSKVZQFLF-OAHLLOKOSA-N 0 3 387.402 3.608 20 5 GHBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000128104149 871795898 /nfs/dbraw/zinc/79/58/98/871795898.db2.gz AQBPCLSUZJZMFZ-HNNXBMFYSA-N 0 3 377.510 3.844 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2sccc2Br)n1 ZINC000447578209 871926482 /nfs/dbraw/zinc/92/64/82/871926482.db2.gz DKAOALROIGTDRP-VXGBXAGGSA-N 0 3 385.287 3.889 20 5 GHBDHN O=C1CCCN1[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093277517 872039829 /nfs/dbraw/zinc/03/98/29/872039829.db2.gz ASQAKGLSPVXEQX-KRWDZBQOSA-N 0 3 385.489 3.910 20 5 GHBDHN CCc1ccc([C@@H]2CCN(Cc3ccc(OCC(=O)OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000552273066 872363789 /nfs/dbraw/zinc/36/37/89/872363789.db2.gz QJQJUEQHWIAZHA-LJQANCHMSA-N 0 3 398.459 3.699 20 5 GHBDHN COc1cccc2c1CCN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000182702978 872686157 /nfs/dbraw/zinc/68/61/57/872686157.db2.gz WCUPLWGYEFLBOL-UHFFFAOYSA-N 0 3 379.416 3.859 20 5 GHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000619569586 872746936 /nfs/dbraw/zinc/74/69/36/872746936.db2.gz UTCYHWJFRNXJTC-DPZWOIPNSA-N 0 3 390.480 3.613 20 5 GHBDHN CN(c1ccccc1)c1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000769304667 873952683 /nfs/dbraw/zinc/95/26/83/873952683.db2.gz AOIYDBMQOYWVOE-GOSISDBHSA-N 0 3 397.475 3.948 20 5 GHBDHN CSCC[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000449069087 874445058 /nfs/dbraw/zinc/44/50/58/874445058.db2.gz VWJCAHSISRPUJM-GDBMZVCRSA-N 0 3 385.493 3.653 20 5 GHBDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000541951399 874620854 /nfs/dbraw/zinc/62/08/54/874620854.db2.gz CZOZJZJTYIARJK-OAHLLOKOSA-N 0 3 393.447 3.687 20 5 GHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000770446264 874689139 /nfs/dbraw/zinc/68/91/39/874689139.db2.gz SWKUBBLWLRHDJG-WXCJZBCHSA-N 0 3 395.459 3.570 20 5 GHBDHN COc1ccc([C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])N(C)C)cc1OC ZINC000450215819 876097061 /nfs/dbraw/zinc/09/70/61/876097061.db2.gz MCAAKHBRMWGRRW-GOSISDBHSA-N 0 3 396.447 3.875 20 5 GHBDHN CCOc1cc(CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000776277979 876152066 /nfs/dbraw/zinc/15/20/66/876152066.db2.gz RWXRKPPCPGOHFM-INIZCTEOSA-N 0 3 396.390 3.760 20 5 GHBDHN C[C@@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000785709411 876213746 /nfs/dbraw/zinc/21/37/46/876213746.db2.gz KSYFESNGNUEMLV-MRXNPFEDSA-N 0 3 398.459 3.717 20 5 GHBDHN CCN1CCN(c2ccc(N[C@@H](C)c3ccc([N+](=O)[O-])cc3OC)cc2)CC1 ZINC000850449117 876932349 /nfs/dbraw/zinc/93/23/49/876932349.db2.gz FQDUHISUSHZKBU-INIZCTEOSA-N 0 3 384.480 3.918 20 5 GHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130002320 877226478 /nfs/dbraw/zinc/22/64/78/877226478.db2.gz AARZDIANJVVEDF-HXUWFJFHSA-N 0 3 378.432 3.643 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000537677299 883116396 /nfs/dbraw/zinc/11/63/96/883116396.db2.gz FGGIBXMTJSVZPY-VQIMIIECSA-N 0 3 381.476 3.913 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787811637 877632263 /nfs/dbraw/zinc/63/22/63/877632263.db2.gz LRXWWYLCGNTRMZ-UHFFFAOYSA-N 0 3 376.844 3.844 20 5 GHBDHN CC(C)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccnn1C ZINC000615943510 878303078 /nfs/dbraw/zinc/30/30/78/878303078.db2.gz RMITYBAEVNRTHO-KRWDZBQOSA-N 0 3 385.493 3.981 20 5 GHBDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000452183925 879099153 /nfs/dbraw/zinc/09/91/53/879099153.db2.gz PMDHLBARVYKTGI-KRWDZBQOSA-N 0 3 396.491 3.616 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCCOc2ncccc2C(F)(F)F)cc1Cl ZINC000761528602 879236680 /nfs/dbraw/zinc/23/66/80/879236680.db2.gz YGMSPSOYTKNXJN-UHFFFAOYSA-N 0 3 375.734 3.831 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000538606493 879798353 /nfs/dbraw/zinc/79/83/53/879798353.db2.gz VOWBFUPBXDPYOT-NVXWUHKLSA-N 0 3 397.566 3.605 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000499118007 881189787 /nfs/dbraw/zinc/18/97/87/881189787.db2.gz ZXEDVAOIFYPICD-QKLQHJQFSA-N 0 3 396.491 3.926 20 5 GHBDHN COc1ccc(C[C@H](C)NCc2cc(C)c(Br)cn2)c([N+](=O)[O-])c1 ZINC001170305592 881324827 /nfs/dbraw/zinc/32/48/27/881324827.db2.gz NMVDFCWYIUGVDB-LBPRGKRZSA-N 0 3 394.269 3.790 20 5 GHBDHN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001130124442 883678124 /nfs/dbraw/zinc/67/81/24/883678124.db2.gz FMFXSJDMGUXCEI-BEFAXECRSA-N 0 3 385.851 3.595 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(CN3CCOCC3)c1)CCC2 ZINC000192694798 883696603 /nfs/dbraw/zinc/69/66/03/883696603.db2.gz WHCNTCNSFDOHLY-QFIPXVFZSA-N 0 3 381.476 3.594 20 5 GHBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCC(CCCN2CCOCC2)CC1 ZINC000494817145 883947316 /nfs/dbraw/zinc/94/73/16/883947316.db2.gz YMRNHLAYNBCIKC-UHFFFAOYSA-N 0 3 381.904 3.573 20 5 GHBDHN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21)Cc1ccncc1 ZINC000861741485 885814814 /nfs/dbraw/zinc/81/48/14/885814814.db2.gz OUXRMTTUMFZDKJ-UHFFFAOYSA-N 0 3 392.459 3.737 20 5 GHBDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747468437 886157685 /nfs/dbraw/zinc/15/76/85/886157685.db2.gz RJIVGEXSJDGVCC-SJLPKXTDSA-N 0 3 377.448 3.764 20 5 GHBDHN Cc1ccc([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000301064571 886199188 /nfs/dbraw/zinc/19/91/88/886199188.db2.gz AAJOXIBQBZTZJC-FQEVSTJZSA-N 0 3 393.447 3.801 20 5 GHBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCC2 ZINC000809559804 887539868 /nfs/dbraw/zinc/53/98/68/887539868.db2.gz AZZWUUXIDFPYSG-CVEARBPZSA-N 0 3 381.860 3.514 20 5 GHBDHN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000272527014 887632730 /nfs/dbraw/zinc/63/27/30/887632730.db2.gz MFWUVKDIUMDTDE-DYESRHJHSA-N 0 3 393.491 3.528 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000796112222 913290435 /nfs/dbraw/zinc/29/04/35/913290435.db2.gz HHAUXRIYSIBOOI-UHFFFAOYSA-N 0 3 378.428 3.864 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000868818295 889613281 /nfs/dbraw/zinc/61/32/81/889613281.db2.gz ULHDNIYRRQSWDH-UHFFFAOYSA-N 0 3 377.828 3.879 20 5 GHBDHN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000498012360 892948709 /nfs/dbraw/zinc/94/87/09/892948709.db2.gz NSJNTBWNZMPPRT-LPHOPBHVSA-N 0 3 397.475 3.901 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000536874601 893987364 /nfs/dbraw/zinc/98/73/64/893987364.db2.gz CWBDZJAFMKONPD-UGSOOPFHSA-N 0 3 387.411 3.955 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1 ZINC000563835020 894242646 /nfs/dbraw/zinc/24/26/46/894242646.db2.gz JBWUROJOMBFXHU-INIZCTEOSA-N 0 3 387.436 3.981 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001135447162 894598796 /nfs/dbraw/zinc/59/87/96/894598796.db2.gz OFEYTLMFMVIQDZ-SFHVURJKSA-N 0 3 385.489 3.884 20 5 GHBDHN C[C@H]1C[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CN1C1CC1 ZINC000564526705 895054133 /nfs/dbraw/zinc/05/41/33/895054133.db2.gz FCXXBAJCMOFTRU-IUCAKERBSA-N 0 3 380.317 3.681 20 5 GHBDHN C[C@@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000564714821 895205980 /nfs/dbraw/zinc/20/59/80/895205980.db2.gz NWZRRBDXFDSISF-MRXNPFEDSA-N 0 3 381.476 3.651 20 5 GHBDHN O=C(CCN[C@@H]1CCSc2c(F)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000565728399 895837247 /nfs/dbraw/zinc/83/72/47/895837247.db2.gz HSMTUEFSCVKEGA-CQSZACIVSA-N 0 3 375.425 3.889 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCn2cnnc2C2CC2)ccc1Oc1ccc(F)cc1 ZINC000156248404 899586976 /nfs/dbraw/zinc/58/69/76/899586976.db2.gz IFTWAAAJDXFRFY-UHFFFAOYSA-N 0 3 397.410 3.785 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@H](c4nnc5n4CCC5)C3)o2)c1 ZINC000119846346 899693683 /nfs/dbraw/zinc/69/36/83/899693683.db2.gz VOLQJOYYJLTQDC-INIZCTEOSA-N 0 3 393.447 3.772 20 5 GHBDHN COc1ccc(OCCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872811 902472347 /nfs/dbraw/zinc/47/23/47/902472347.db2.gz OYLRCKVWCVOOCX-BFUOFWGJSA-N 0 3 377.368 3.553 20 5 GHBDHN CC(C)n1ncc2cc(C(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])cnc21 ZINC000845873813 902475040 /nfs/dbraw/zinc/47/50/40/902475040.db2.gz WRSUFUIALDCAQC-YVEFUNNKSA-N 0 3 386.383 3.715 20 5 GHBDHN CC([C@H](OC(=O)COC[C@@H](C)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845875846 902480890 /nfs/dbraw/zinc/48/08/90/902480890.db2.gz CXBMKMTVAXOZQN-SXGZJXTBSA-N 0 3 375.396 3.896 20 5 GHBDHN CC([C@@H](OC(=O)C[C@@H](C)NC(=O)C1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845880166 902484135 /nfs/dbraw/zinc/48/41/35/902484135.db2.gz YXNNPZLFYPPXKP-PJIJBLCYSA-N 0 3 394.443 3.550 20 5 GHBDHN CCc1csc(CC2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000847036051 903389196 /nfs/dbraw/zinc/38/91/96/903389196.db2.gz TYBSBBMZBZDMOQ-GOSISDBHSA-N 0 3 375.494 3.602 20 5 GHBDHN Cc1c(CN2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)cccc1[N+](=O)[O-] ZINC000847009473 903392062 /nfs/dbraw/zinc/39/20/62/903392062.db2.gz RKHZCASIYYTZNZ-UHFFFAOYSA-N 0 3 375.469 3.736 20 5 GHBDHN CCOc1ccc([C@@H](C)NCc2ccc(CN3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000153097067 904330096 /nfs/dbraw/zinc/33/00/96/904330096.db2.gz IDMJCQCBZRWKES-MRXNPFEDSA-N 0 3 397.475 3.967 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(c3noc4ccccc43)CC1)CC2 ZINC001172908747 905937609 /nfs/dbraw/zinc/93/76/09/905937609.db2.gz NGBINRGBAFLBIE-SFHVURJKSA-N 0 3 392.459 3.806 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccc(C(F)(F)F)cn2)c1F ZINC001173179333 906258284 /nfs/dbraw/zinc/25/82/84/906258284.db2.gz OVRQHRQOEQXPHR-SNVBAGLBSA-N 0 3 387.333 3.877 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000191324207 906875655 /nfs/dbraw/zinc/87/56/55/906875655.db2.gz SWRYUWWSVMNJKV-UHFFFAOYSA-N 0 3 376.482 3.869 20 5 GHBDHN CN(C)C(=O)CC1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000182207774 907157824 /nfs/dbraw/zinc/15/78/24/907157824.db2.gz WIQVRBPJXKWDJS-UHFFFAOYSA-N 0 3 378.472 3.637 20 5 GHBDHN CCC[C@@](C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001176891195 908290613 /nfs/dbraw/zinc/29/06/13/908290613.db2.gz ARLXPZNGDPBACO-LJQANCHMSA-N 0 3 376.478 3.674 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001179655246 909620108 /nfs/dbraw/zinc/62/01/08/909620108.db2.gz SDWDIJNLUDIBGY-GOEBONIOSA-N 0 3 393.484 3.777 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000293794425 916388751 /nfs/dbraw/zinc/38/87/51/916388751.db2.gz QUEHULWGBZXULR-OLZOCXBDSA-N 0 3 383.452 3.873 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000796429226 917087367 /nfs/dbraw/zinc/08/73/67/917087367.db2.gz GFAFEQJPBQQBEG-SJORKVTESA-N 0 3 385.247 3.648 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000796429220 917087852 /nfs/dbraw/zinc/08/78/52/917087852.db2.gz GFAFEQJPBQQBEG-IAGOWNOFSA-N 0 3 385.247 3.648 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1Cc1ccccc1Cl ZINC001190541321 917398780 /nfs/dbraw/zinc/39/87/80/917398780.db2.gz OYYISLNWGAKMTK-DLBZAZTESA-N 0 3 390.867 3.695 20 5 GHBDHN COc1ccc([C@H]2CCCN2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000117333898 919537216 /nfs/dbraw/zinc/53/72/16/919537216.db2.gz LRPAYVQXBWUGKP-GOSISDBHSA-N 0 3 397.431 3.739 20 5 GHBDHN Cn1cc(CN2CCC(c3ccccn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000367461106 922118699 /nfs/dbraw/zinc/11/86/99/922118699.db2.gz QGCPEPFMIICRFM-UHFFFAOYSA-N 0 3 377.448 3.770 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](NCC2(C3(O)CCOCC3)CC2)c2ccccc2)c1 ZINC000903348048 922947405 /nfs/dbraw/zinc/94/74/05/922947405.db2.gz VLEMDPZZFONNOI-FQEVSTJZSA-N 0 3 382.460 3.596 20 5 GHBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000409874390 925085790 /nfs/dbraw/zinc/08/57/90/925085790.db2.gz OBBOUQNPSUBXPZ-GFCCVEGCSA-N 0 3 379.363 3.876 20 5 GHBDHN CN1CCC(n2ccc(=NC(=O)c3cc4ccccc4c4cccnc34)[nH]2)CC1 ZINC000373240863 925960272 /nfs/dbraw/zinc/96/02/72/925960272.db2.gz ILRMBEPOZQOBFJ-UHFFFAOYSA-N 0 3 385.471 3.525 20 5 GHBDHN COc1ccc(CN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@H](C)C2CC2)cc1 ZINC000749945442 927362960 /nfs/dbraw/zinc/36/29/60/927362960.db2.gz ODRJXSLPSFXTTG-OAHLLOKOSA-N 0 3 395.463 3.915 20 5 GHBDHN COc1ccc(OC)c(CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000750092521 927431077 /nfs/dbraw/zinc/43/10/77/927431077.db2.gz NOAKJBLEFLEVEO-LJQANCHMSA-N 0 3 388.464 3.946 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCC3(CCOCC3)[C@H]2O)c2ccccc2)c1 ZINC000374792811 927528276 /nfs/dbraw/zinc/52/82/76/927528276.db2.gz LRVQPHACWYNXQY-FCEUIQTBSA-N 0 3 396.487 3.842 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470117035 930386327 /nfs/dbraw/zinc/38/63/27/930386327.db2.gz XZARCYNYNFFRKN-OAHLLOKOSA-N 0 3 378.429 3.754 20 5 GHBDHN CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000470140469 930400781 /nfs/dbraw/zinc/40/07/81/930400781.db2.gz KBQPKVFCMUVZBG-GOSISDBHSA-N 0 3 386.427 3.862 20 5 GHBDHN COc1ccc([C@H](CN2CCCC2)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000780909436 930636221 /nfs/dbraw/zinc/63/62/21/930636221.db2.gz OIFDODKOKKSIAT-SFHVURJKSA-N 0 3 386.408 3.761 20 5 GHBDHN CC(C)(C(=O)NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000547290071 930884605 /nfs/dbraw/zinc/88/46/05/930884605.db2.gz FVVLTUKYEYIDMV-UHFFFAOYSA-N 0 3 399.466 3.576 20 5 GHBDHN C/C(=C\C(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783996475 931745286 /nfs/dbraw/zinc/74/52/86/931745286.db2.gz NXFLBOSWEQAQGO-JQIJEIRASA-N 0 3 385.439 3.728 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000777982328 934485125 /nfs/dbraw/zinc/48/51/25/934485125.db2.gz RSYYRVYFMPKBDT-UHFFFAOYSA-N 0 3 391.418 3.585 20 5 GHBDHN COc1cccc([C@@H]2[C@H](Nc3nc4ccccn4c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000778010251 934621099 /nfs/dbraw/zinc/62/10/99/934621099.db2.gz PFROZBNQJDPOGX-IEBWSBKVSA-N 0 3 393.447 3.641 20 5 GHBDHN Cc1ccc(CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001226902128 1032184797 /nfs/dbraw/zinc/18/47/97/1032184797.db2.gz OQCNRXUXZIKVEZ-FQEVSTJZSA-N 0 3 398.507 3.859 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000755454771 1023257612 /nfs/dbraw/zinc/25/76/12/1023257612.db2.gz ZUQLZMDLZAWBTN-SSZFMOIBSA-N 0 3 395.459 3.594 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000831314131 1024488450 /nfs/dbraw/zinc/48/84/50/1024488450.db2.gz GGJPNVPAFVVRIO-XFBWCDHKSA-N 0 3 381.860 3.513 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC000831572126 1024652786 /nfs/dbraw/zinc/65/27/86/1024652786.db2.gz SJCPVUINGXIKNR-KRWDZBQOSA-N 0 3 391.855 3.598 20 5 GHBDHN CCN(CC)[C@@H](CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001162307650 1025710334 /nfs/dbraw/zinc/71/03/34/1025710334.db2.gz APVPUZSCRIKPIF-KRWDZBQOSA-N 0 3 384.436 3.662 20 5 GHBDHN Cc1c(C(=O)Nc2ccc(CN(C)C)cc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000839822690 1026288993 /nfs/dbraw/zinc/28/89/93/1026288993.db2.gz JRPYSLUFWVDFBG-UHFFFAOYSA-N 0 3 390.371 3.573 20 5 GHBDHN COC(=O)/C=C/c1ccc(N[C@H]2CCN(Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831130 1026331212 /nfs/dbraw/zinc/33/12/12/1026331212.db2.gz KCCGMBCSJGEMOU-XSBJJCPUSA-N 0 3 395.459 3.776 20 5 GHBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@H]2CN(Cc3ccccc3)CC[C@H]2C)n1 ZINC001165183749 1026652662 /nfs/dbraw/zinc/65/26/62/1026652662.db2.gz SEEFRVDOOSGBSY-CJNGLKHVSA-N 0 3 389.887 3.693 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Nc3cc(C)cc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC001210577407 1027563051 /nfs/dbraw/zinc/56/30/51/1027563051.db2.gz OHEJHTYSKHYRAZ-UHFFFAOYSA-N 0 3 397.479 3.998 20 5 GHBDHN C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC001222693418 1030280952 /nfs/dbraw/zinc/28/09/52/1030280952.db2.gz QYMYSSUGUAFCAE-UWJYYQICSA-N 0 3 398.507 3.908 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001229401938 1033460277 /nfs/dbraw/zinc/46/02/77/1033460277.db2.gz GFKDWVHMRWPBAP-LFUKPOHLSA-N 0 3 390.443 3.827 20 5 GHBDHN O=[N+]([O-])c1c2c(cc(Br)c1OC1CCN(C3CC3)CC1)CCC2 ZINC001230492033 1034088405 /nfs/dbraw/zinc/08/84/05/1034088405.db2.gz FEWMWMQZXXAVLJ-UHFFFAOYSA-N 0 3 381.270 3.852 20 5 GHBDHN C[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@H](C)CN1Cc1ccccc1 ZINC001158523726 1034125010 /nfs/dbraw/zinc/12/50/10/1034125010.db2.gz OXKCXMRMGOBRCT-HZPDHXFCSA-N 0 3 377.448 3.637 20 5 GHBDHN CCOC(=O)c1ccc(O[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001230913353 1034284065 /nfs/dbraw/zinc/28/40/65/1034284065.db2.gz VOVNIMMEJNGISK-SFHVURJKSA-N 0 3 384.432 3.815 20 5 GHBDHN CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001160737923 1035049771 /nfs/dbraw/zinc/04/97/71/1035049771.db2.gz KHCVMNMEHYSVGB-RNNUUBKPSA-N 0 3 376.500 3.830 20 5 GHBDHN COC(=O)c1ccc(O[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001234048238 1039784706 /nfs/dbraw/zinc/78/47/06/1039784706.db2.gz HHHVBJQNKYBSFK-MGPUTAFESA-N 0 3 384.432 3.671 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ncccc3C(F)(F)F)CC2)cc1 ZINC001254464916 1040251532 /nfs/dbraw/zinc/25/15/32/1040251532.db2.gz NYGVWMOXMPAZAF-UHFFFAOYSA-N 0 3 380.370 3.767 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001254554581 1040325089 /nfs/dbraw/zinc/32/50/89/1040325089.db2.gz BYFRTWOIWBBZCX-PIPMEXSNSA-N 0 3 397.475 3.623 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001254562939 1040336288 /nfs/dbraw/zinc/33/62/88/1040336288.db2.gz SBFVDSSNJWSMAO-LRXVAGHRSA-N 0 3 397.475 3.623 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N2Cc3ccccc3C2=O)CC1 ZINC001254567950 1040344000 /nfs/dbraw/zinc/34/40/00/1040344000.db2.gz DFOKXBCAECQNMQ-INIZCTEOSA-N 0 3 379.460 3.646 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cn(Cc3cccc(Cl)c3)cn1)C2 ZINC001254585804 1040359249 /nfs/dbraw/zinc/35/92/49/1040359249.db2.gz GNRIIJIMGJOELH-GOSISDBHSA-N 0 3 382.851 3.750 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN([C@H]3CCCc4ccccc43)CC1)C2 ZINC001254608329 1040379892 /nfs/dbraw/zinc/37/98/92/1040379892.db2.gz QSGZHBKZLSDITF-GGAORHGYSA-N 0 3 377.488 3.757 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@@H]4CN5CCC4CC5)no3)cs2)c1 ZINC001254850061 1040594879 /nfs/dbraw/zinc/59/48/79/1040594879.db2.gz ICIXUYDEJCQNRP-CQSZACIVSA-N 0 3 383.433 3.578 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c(F)c1 ZINC001462512153 1070315043 /nfs/dbraw/zinc/31/50/43/1070315043.db2.gz ZVZDROKUCILTHY-USXIJHARSA-N 0 3 377.213 3.924 20 5 GHBDHN C[C@H](NC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001462578712 1070385124 /nfs/dbraw/zinc/38/51/24/1070385124.db2.gz MLFDATJXRWPJSW-WFASDCNBSA-N 0 3 385.411 3.890 20 5 GHBDHN CC[C@]1(Cc2ccccc2)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307918504 1049694219 /nfs/dbraw/zinc/69/42/19/1049694219.db2.gz JRYMOHIZOJQGGO-HSZRJFAPSA-N 0 3 393.487 3.971 20 5 GHBDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307946841 1049715807 /nfs/dbraw/zinc/71/58/07/1049715807.db2.gz VTDVVVGRHNSQQN-JOCHJYFZSA-N 0 3 383.492 3.816 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC001290310424 1049797594 /nfs/dbraw/zinc/79/75/94/1049797594.db2.gz HKARXBCAKHEFBY-HKBOAZHASA-N 0 3 381.476 3.680 20 5 GHBDHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(Cc2ccccc2)CCCC1 ZINC001308058769 1049807374 /nfs/dbraw/zinc/80/73/74/1049807374.db2.gz HSUSDWVGSPIXLA-UHFFFAOYSA-N 0 3 393.487 3.971 20 5 GHBDHN C[C@H](NCc1ccc(CN(C)C)c2c1OC(F)(F)O2)c1cccc([N+](=O)[O-])c1 ZINC001308208184 1049912957 /nfs/dbraw/zinc/91/29/57/1049912957.db2.gz LRLUUUNWTYNKSF-LBPRGKRZSA-N 0 3 393.390 3.829 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](ONC(=O)OC(C)(C)C)C(C)C ZINC001308826236 1050109704 /nfs/dbraw/zinc/10/97/04/1050109704.db2.gz VOOPDJWJCYHEDP-KRWDZBQOSA-N 0 3 381.473 3.782 20 5 GHBDHN CN1CCCC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001310300806 1051278334 /nfs/dbraw/zinc/27/83/34/1051278334.db2.gz DDOBILDHSWKAKQ-QGZVFWFLSA-N 0 3 384.436 3.993 20 5 GHBDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cn1 ZINC001333324694 1051718630 /nfs/dbraw/zinc/71/86/30/1051718630.db2.gz VDOJNCBQYDLRTK-QKUVIELKSA-N 0 3 392.463 3.560 20 5 GHBDHN COC1CCN(CCNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001318970052 1054971610 /nfs/dbraw/zinc/97/16/10/1054971610.db2.gz YBCYKUDASKTCSF-UHFFFAOYSA-N 0 3 393.871 3.709 20 5 GHBDHN COc1cc(CNC2CC3(CC3(F)F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001347450032 1062393580 /nfs/dbraw/zinc/39/35/80/1062393580.db2.gz NBIFCNAFJBRLLX-UHFFFAOYSA-N 0 3 378.322 3.525 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@@H](CO)CN1CCCCC1 ZINC001458372711 1063769045 /nfs/dbraw/zinc/76/90/45/1063769045.db2.gz SKHRICFBFKXSFA-SNVBAGLBSA-N 0 3 381.782 3.526 20 5 GHBDHN COc1cccc(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001438357668 1064042227 /nfs/dbraw/zinc/04/22/27/1064042227.db2.gz ISCIYIGIKWONNI-GOSISDBHSA-N 0 3 397.475 3.778 20 5 GHBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCCC2 ZINC001460064769 1064389896 /nfs/dbraw/zinc/38/98/96/1064389896.db2.gz KQNKELFFAKHMTK-DLBZAZTESA-N 0 3 395.887 3.904 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)N(C)C)cc1 ZINC001466250247 1066054224 /nfs/dbraw/zinc/05/42/24/1066054224.db2.gz GOMFYOHUSYIDDC-GOSISDBHSA-N 0 3 386.452 3.590 20 5 GHBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001466716432 1066273863 /nfs/dbraw/zinc/27/38/63/1066273863.db2.gz HXUPIOUNOOJAJO-INIZCTEOSA-N 0 3 383.448 3.990 20 5 GHBDHN CCN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001358470236 1067535869 /nfs/dbraw/zinc/53/58/69/1067535869.db2.gz HLMXGZIQDDCYNR-GOSISDBHSA-N 0 3 399.516 3.810 20 5 GHBDHN CCOc1cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001473549436 1067566324 /nfs/dbraw/zinc/56/63/24/1067566324.db2.gz DWSAHTDLHPZXNT-QGZVFWFLSA-N 0 3 393.484 3.871 20 5 GHBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCN1 ZINC001470296426 1068670329 /nfs/dbraw/zinc/67/03/29/1068670329.db2.gz IGZGTZKUBHWENJ-GOSISDBHSA-N 0 3 391.537 3.947 20 5 GHBDHN CCN(CCOC)c1cccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001460134367 1068802814 /nfs/dbraw/zinc/80/28/14/1068802814.db2.gz WNMVWKTZENURHI-LJQANCHMSA-N 0 3 398.507 3.842 20 5 GHBDHN COc1ccc(OCCN2CCC[C@H](Cc3nc(C)cs3)C2)c([N+](=O)[O-])c1 ZINC001473804116 1074151402 /nfs/dbraw/zinc/15/14/02/1074151402.db2.gz AICHWTACAYPAGZ-OAHLLOKOSA-N 0 3 391.493 3.702 20 5 GHBDHN COc1cc(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC001473965587 1074219807 /nfs/dbraw/zinc/21/98/07/1074219807.db2.gz ALNKSHGMCXZSGJ-CYBMUJFWSA-N 0 3 391.855 3.579 20 5 GHBDHN O=[N+]([O-])c1ccc(CCN[C@H]2COc3cc(F)c(Br)cc32)cc1 ZINC001474473110 1074422867 /nfs/dbraw/zinc/42/28/67/1074422867.db2.gz XZWASPPGMMDWQL-HNNXBMFYSA-N 0 3 381.201 3.762 20 5 GHBDHN CC[C@@H](C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC=CCC1 ZINC001495998368 1079445304 /nfs/dbraw/zinc/44/53/04/1079445304.db2.gz QQNAFOLQMQWPBX-QGZVFWFLSA-N 0 3 398.511 3.598 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000120185971 834785682 /nfs/dbraw/zinc/78/56/82/834785682.db2.gz IUEHRQFMQKYHMN-UHFFFAOYSA-N 0 3 388.443 3.946 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000536096773 834825894 /nfs/dbraw/zinc/82/58/94/834825894.db2.gz UOJGUTCRFVGKJO-GOSISDBHSA-N 0 3 390.509 3.581 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cc(F)ccc2Br)n1 ZINC000583673443 834858255 /nfs/dbraw/zinc/85/82/55/834858255.db2.gz KLKWLSRCQGZONY-LSDHHAIUSA-N 0 3 397.248 3.966 20 5 GHBDHN CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000411355447 836147683 /nfs/dbraw/zinc/14/76/83/836147683.db2.gz ONEOVQFAENEFRX-LEWJYISDSA-N 0 3 393.487 3.651 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)c1ccccc1F ZINC000411762182 836338086 /nfs/dbraw/zinc/33/80/86/836338086.db2.gz WRBDNGXKBDWPDN-UHFFFAOYSA-N 0 3 375.400 3.596 20 5 GHBDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cnn1C ZINC000431683218 836777374 /nfs/dbraw/zinc/77/73/74/836777374.db2.gz CMEAXAFCIYDLTJ-FXAWDEMLSA-N 0 3 382.420 3.517 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180393296 837221793 /nfs/dbraw/zinc/22/17/93/837221793.db2.gz JVUQBCVDEKHONN-SMDDNHRTSA-N 0 3 385.247 3.992 20 5 GHBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275615704 838031259 /nfs/dbraw/zinc/03/12/59/838031259.db2.gz UNXPQFGNWVBSDO-ZDUSSCGKSA-N 0 3 399.441 3.786 20 5 GHBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccccc2C1 ZINC000189143932 838204418 /nfs/dbraw/zinc/20/44/18/838204418.db2.gz XWFIEKSKXBQTJV-UHFFFAOYSA-N 0 3 379.460 3.534 20 5 GHBDHN O=C1CCCN1[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000414544281 838616975 /nfs/dbraw/zinc/61/69/75/838616975.db2.gz CZCGIQYYAVUCAZ-KRWDZBQOSA-N 0 3 383.448 3.832 20 5 GHBDHN CC(C)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@H]1CCC(=O)N1 ZINC000414560587 838625820 /nfs/dbraw/zinc/62/58/20/838625820.db2.gz QZEJWHBJMNRDJO-CYBMUJFWSA-N 0 3 391.855 3.997 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000471520441 838677506 /nfs/dbraw/zinc/67/75/06/838677506.db2.gz FDFXUAIVTGQVGF-RDJZCZTQSA-N 0 3 375.856 3.543 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1ccco1 ZINC000412338103 838742540 /nfs/dbraw/zinc/74/25/40/838742540.db2.gz RSYKARVUNSVSKE-HOCLYGCPSA-N 0 3 389.452 3.834 20 5 GHBDHN O=C(c1cccc(CN2CCCCC2)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000412371445 839219111 /nfs/dbraw/zinc/21/91/11/839219111.db2.gz PVMWLVVDZGHDJH-UHFFFAOYSA-N 0 3 395.459 3.616 20 5 GHBDHN O=C(CN[C@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000378511105 839254429 /nfs/dbraw/zinc/25/44/29/839254429.db2.gz JCKIDDAIFWEHJQ-AUUYWEPGSA-N 0 3 389.839 3.554 20 5 GHBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000580931673 840456935 /nfs/dbraw/zinc/45/69/35/840456935.db2.gz YXVOQAKEJHLTHL-MRXNPFEDSA-N 0 3 391.515 3.922 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1n[nH]c(COc3ccccc3)n1)CCCC2 ZINC000417315431 840712662 /nfs/dbraw/zinc/71/26/62/840712662.db2.gz BNZXXWXOFAUHSA-IBGZPJMESA-N 0 3 393.447 3.849 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000584742981 840742014 /nfs/dbraw/zinc/74/20/14/840742014.db2.gz CRFIDBFZXKHEHB-HNNXBMFYSA-N 0 3 396.365 3.632 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000584498313 841249081 /nfs/dbraw/zinc/24/90/81/841249081.db2.gz JPRCWSHTSIYZEW-QGZVFWFLSA-N 0 3 376.840 3.918 20 5 GHBDHN Cc1c(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000061289547 861222748 /nfs/dbraw/zinc/22/27/48/861222748.db2.gz JVYBGZGLCAYDAM-UHFFFAOYSA-N 0 3 385.489 3.747 20 5 GHBDHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000109347999 841873099 /nfs/dbraw/zinc/87/30/99/841873099.db2.gz UXHBVSNBUAANQW-QAPCUYQASA-N 0 3 385.439 3.823 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[C@@H](N2CCCCC2)C1 ZINC000730807438 861294653 /nfs/dbraw/zinc/29/46/53/861294653.db2.gz WYRJFXQWELHPKR-GFCCVEGCSA-N 0 3 388.346 3.586 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H](CO)Cc3ccccc3C)o2)c([N+](=O)[O-])c1 ZINC000466904448 845544055 /nfs/dbraw/zinc/54/40/55/845544055.db2.gz JMGJODKLIZWSLS-KRWDZBQOSA-N 0 3 396.443 3.865 20 5 GHBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119703933 845982925 /nfs/dbraw/zinc/98/29/25/845982925.db2.gz GDENRCXIELPIHP-CYBMUJFWSA-N 0 3 393.896 3.952 20 5 GHBDHN COc1cc(CN2C[C@@H](O)CC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421382911 846199675 /nfs/dbraw/zinc/19/96/75/846199675.db2.gz YWONRWVLIAXWLY-KXBFYZLASA-N 0 3 386.448 3.528 20 5 GHBDHN COc1ccc(CN2C[C@@H](O)CC[C@@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000421382925 846199959 /nfs/dbraw/zinc/19/99/59/846199959.db2.gz YXRVYFPUCPTQKF-KXBFYZLASA-N 0 3 386.448 3.528 20 5 GHBDHN COc1cc(CN[C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000502582325 846226860 /nfs/dbraw/zinc/22/68/60/846226860.db2.gz QHGHYBBUJOIWLA-ZYHUDNBSSA-N 0 3 396.337 3.845 20 5 GHBDHN C[S@@](=O)C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000183125505 846358917 /nfs/dbraw/zinc/35/89/17/846358917.db2.gz WNKSBWHJKSMKIY-KWMCUTETSA-N 0 3 399.472 3.502 20 5 GHBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511087798 846548235 /nfs/dbraw/zinc/54/82/35/846548235.db2.gz BOPTWBOKSJNGML-HNNXBMFYSA-N 0 3 395.381 3.655 20 5 GHBDHN O=C(CCN1CCC[C@H]1CC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000501061290 846592250 /nfs/dbraw/zinc/59/22/50/846592250.db2.gz VWPVPVBUTHDTCQ-AWEZNQCLSA-N 0 3 387.461 3.722 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCC[C@H]3CN3CCOCC3)o2)cc1 ZINC000513763429 846822536 /nfs/dbraw/zinc/82/25/36/846822536.db2.gz XTHJAAYNHXOMCF-IBGZPJMESA-N 0 3 385.464 3.542 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C[C@@H](C)O1 ZINC000413182683 846874510 /nfs/dbraw/zinc/87/45/10/846874510.db2.gz SUOYVJXOMIWZSI-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCOC[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000277666940 847491681 /nfs/dbraw/zinc/49/16/81/847491681.db2.gz FXGNFQUDKLNGKW-WRWLIDTKSA-N 0 3 383.448 3.598 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000479490010 847652887 /nfs/dbraw/zinc/65/28/87/847652887.db2.gz OIJCDEXUPVACJK-MAUKXSAKSA-N 0 3 399.516 3.986 20 5 GHBDHN COc1cc(C[NH2+]CCc2ccccc2OC(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000237202566 847967576 /nfs/dbraw/zinc/96/75/76/847967576.db2.gz PMTCXGGYFIVGIP-UHFFFAOYSA-N 0 3 386.326 3.540 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])c1ccsc1 ZINC000176751336 848549238 /nfs/dbraw/zinc/54/92/38/848549238.db2.gz ZHQLLVHIBZCXEB-INIZCTEOSA-N 0 3 379.457 3.917 20 5 GHBDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000458499502 849764987 /nfs/dbraw/zinc/76/49/87/849764987.db2.gz JUUULFCUDWFVKP-GOSISDBHSA-N 0 3 390.509 3.881 20 5 GHBDHN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000505587030 849973686 /nfs/dbraw/zinc/97/36/86/849973686.db2.gz LCJXXPXUHUKMRF-SJKOYZFVSA-N 0 3 393.390 3.617 20 5 GHBDHN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000505587031 849973869 /nfs/dbraw/zinc/97/38/69/849973869.db2.gz LCJXXPXUHUKMRF-YVEFUNNKSA-N 0 3 393.390 3.617 20 5 GHBDHN CS[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000487126916 850490927 /nfs/dbraw/zinc/49/09/27/850490927.db2.gz ZJFMXAKRMCLKHP-QZTJIDSGSA-N 0 3 391.537 3.544 20 5 GHBDHN CC(C)N1CCC(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435833232 850896554 /nfs/dbraw/zinc/89/65/54/850896554.db2.gz DILPIZFUEYTJFH-UHFFFAOYSA-N 0 3 399.441 3.562 20 5 GHBDHN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](C)C1 ZINC000436113438 851241464 /nfs/dbraw/zinc/24/14/64/851241464.db2.gz YVSDYONLNTYTSF-LSDHHAIUSA-N 0 3 395.478 3.671 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000436262898 851397023 /nfs/dbraw/zinc/39/70/23/851397023.db2.gz GIRNAWXRDJOCQX-IEBWSBKVSA-N 0 3 377.485 3.805 20 5 GHBDHN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1F ZINC000604493307 862252275 /nfs/dbraw/zinc/25/22/75/862252275.db2.gz ISHDLNJFJZNOKR-UHFFFAOYSA-N 0 3 389.427 3.983 20 5 GHBDHN CCc1nn(C)c(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] ZINC000184353644 852241321 /nfs/dbraw/zinc/24/13/21/852241321.db2.gz GQZQABUGGOJCLR-AWEZNQCLSA-N 0 3 385.390 3.624 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1 ZINC000517808262 852433016 /nfs/dbraw/zinc/43/30/16/852433016.db2.gz KWVNLCIDWPEAPX-UHFFFAOYSA-N 0 3 387.505 3.829 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000437135599 852765159 /nfs/dbraw/zinc/76/51/59/852765159.db2.gz HVZLYUJNEVGBOS-MRXNPFEDSA-N 0 3 381.354 3.646 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@@H]2COCCO2)ccc1Oc1ccccc1Cl ZINC000509570762 852956743 /nfs/dbraw/zinc/95/67/43/852956743.db2.gz JTDCKFYSYIOGKA-CQSZACIVSA-N 0 3 378.812 3.546 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437370217 853050521 /nfs/dbraw/zinc/05/05/21/853050521.db2.gz PUPQFWUZAXANDH-UHFFFAOYSA-N 0 3 395.381 3.818 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000438952371 853125090 /nfs/dbraw/zinc/12/50/90/853125090.db2.gz XOVPPRYMSDCTNL-YOEHRIQHSA-N 0 3 387.867 3.807 20 5 GHBDHN Cc1ccc(OCCN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000506125162 853514441 /nfs/dbraw/zinc/51/44/41/853514441.db2.gz KKTBQTWWQPOEEH-UHFFFAOYSA-N 0 3 380.448 3.815 20 5 GHBDHN CC1CCN([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000133432600 862547620 /nfs/dbraw/zinc/54/76/20/862547620.db2.gz WDWQIZFHBSCSBQ-HXUWFJFHSA-N 0 3 385.439 3.937 20 5 GHBDHN COc1cc(CNC[C@]2(C)CCCS2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000133514420 862578026 /nfs/dbraw/zinc/57/80/26/862578026.db2.gz PDLXJQGMMPWGNG-HNNXBMFYSA-N 0 3 394.415 3.920 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000543545712 862647324 /nfs/dbraw/zinc/64/73/24/862647324.db2.gz JFJVGHLBYVHZLU-SYTFOFBDSA-N 0 3 389.839 3.730 20 5 GHBDHN CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184605440 855195006 /nfs/dbraw/zinc/19/50/06/855195006.db2.gz LSDUCRPULBNRAT-LAUBAEHRSA-N 0 3 396.491 3.962 20 5 GHBDHN Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CN(C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000590447069 855423321 /nfs/dbraw/zinc/42/33/21/855423321.db2.gz YBEBAUBSCWAZDW-LPHOPBHVSA-N 0 3 397.500 3.831 20 5 GHBDHN Cc1nnc([C@@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)[nH]1 ZINC000542692418 855459493 /nfs/dbraw/zinc/45/94/93/855459493.db2.gz OFBLYQQZNFWDQW-CQSZACIVSA-N 0 3 384.465 3.524 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000157602631 856483653 /nfs/dbraw/zinc/48/36/53/856483653.db2.gz DVCLETUHPUDCLQ-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000438913668 857682871 /nfs/dbraw/zinc/68/28/71/857682871.db2.gz ZWBIFXHEMMEOCE-OAQYLSRUSA-N 0 3 381.476 3.707 20 5 GHBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521673566 858231722 /nfs/dbraw/zinc/23/17/22/858231722.db2.gz WEXQSYQAYVGFNE-KBPBESRZSA-N 0 3 388.493 3.711 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3ccc(I)cc32)cc1 ZINC000595012004 858350061 /nfs/dbraw/zinc/35/00/61/858350061.db2.gz ARBPKMHANIFEBC-INIZCTEOSA-N 0 3 394.212 3.977 20 5 GHBDHN CCN1CCN(C[C@@H](C)CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000439107141 858397985 /nfs/dbraw/zinc/39/79/85/858397985.db2.gz LKFZSACGTISNLR-LBPRGKRZSA-N 0 3 375.300 3.587 20 5 GHBDHN CCOc1ccccc1NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000131010436 858537505 /nfs/dbraw/zinc/53/75/05/858537505.db2.gz GRKRISGIKFEWQA-UHFFFAOYSA-N 0 3 383.448 3.987 20 5 GHBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000595522736 858551520 /nfs/dbraw/zinc/55/15/20/858551520.db2.gz MVWRNBWFNMGSIF-DLBZAZTESA-N 0 3 397.372 3.854 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593147430 858787423 /nfs/dbraw/zinc/78/74/23/858787423.db2.gz MOFNVGBUOUSJPY-VXGBXAGGSA-N 0 3 376.331 3.680 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2)CC1 ZINC000764162366 859250380 /nfs/dbraw/zinc/25/03/80/859250380.db2.gz PZGVJSJOIFPZPZ-UHFFFAOYSA-N 0 3 388.855 3.642 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000509394571 859301960 /nfs/dbraw/zinc/30/19/60/859301960.db2.gz ZBXARHURDWESQI-GASCZTMLSA-N 0 3 397.466 3.584 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764239338 859319352 /nfs/dbraw/zinc/31/93/52/859319352.db2.gz AVQIVLNHEDKXRQ-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN COc1cc2c(cc1F)CC[C@H]2NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000509417044 859373680 /nfs/dbraw/zinc/37/36/80/859373680.db2.gz OYOKGGNKAGKEMI-LJQANCHMSA-N 0 3 396.422 3.920 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)CC3CCCC3)cs2)c1 ZINC000466424745 859449206 /nfs/dbraw/zinc/44/92/06/859449206.db2.gz XOEHZCXTLFXXAF-OAHLLOKOSA-N 0 3 375.494 3.997 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)c2ccccc21 ZINC000611112981 859610816 /nfs/dbraw/zinc/61/08/16/859610816.db2.gz ROYBTOCQNWOXNZ-SFHVURJKSA-N 0 3 378.428 3.546 20 5 GHBDHN CCOc1ccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000250503526 859846616 /nfs/dbraw/zinc/84/66/16/859846616.db2.gz BOLMLLIUZZJAMT-QAPCUYQASA-N 0 3 383.448 3.559 20 5 GHBDHN NC(=O)CC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000092659902 860100236 /nfs/dbraw/zinc/10/02/36/860100236.db2.gz UYFJDCHYJVZIKY-ZDUSSCGKSA-N 0 3 391.855 3.986 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)cc1Br ZINC000602680485 860213188 /nfs/dbraw/zinc/21/31/88/860213188.db2.gz GQOLHETZYYJNBF-RISCZKNCSA-N 0 3 398.282 3.824 20 5 GHBDHN C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000555232091 860258710 /nfs/dbraw/zinc/25/87/10/860258710.db2.gz PJVRCUPIZVBHAT-XIKOKIGWSA-N 0 3 393.846 3.910 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H](C)C2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000125363165 860647930 /nfs/dbraw/zinc/64/79/30/860647930.db2.gz FUKJUUWNJDPUFA-IIBYNOLFSA-N 0 3 397.475 3.988 20 5 GHBDHN CCC1(N2CCOCC2)CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000599184067 860887088 /nfs/dbraw/zinc/88/70/88/860887088.db2.gz XOZYUNDZPKJGDG-UHFFFAOYSA-N 0 3 384.480 3.533 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000444005704 863135625 /nfs/dbraw/zinc/13/56/25/863135625.db2.gz XVKDPWVETVTIBW-LLVKDONJSA-N 0 3 388.773 3.606 20 5 GHBDHN COc1cc(CN[C@H]2CS[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414497010 864033468 /nfs/dbraw/zinc/03/34/68/864033468.db2.gz FDLKTDMBDQACGA-GXSJLCMTSA-N 0 3 380.388 3.528 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000533960303 864070031 /nfs/dbraw/zinc/07/00/31/864070031.db2.gz YKBCXCZTXSAJRN-NRFANRHFSA-N 0 3 396.491 3.582 20 5 GHBDHN CCN(Cc1c[nH]c2ccccc12)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475123746 864258515 /nfs/dbraw/zinc/25/85/15/864258515.db2.gz YBEJQEVKLFBYRO-UHFFFAOYSA-N 0 3 397.431 3.650 20 5 GHBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444334325 864665633 /nfs/dbraw/zinc/66/56/33/864665633.db2.gz GNJPXSCPVXQMPZ-HNNXBMFYSA-N 0 3 395.478 3.815 20 5 GHBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCCC1)c1ccccc1 ZINC000609018158 865924506 /nfs/dbraw/zinc/92/45/06/865924506.db2.gz REWIGCWPRDBBAC-HXUWFJFHSA-N 0 3 396.491 3.740 20 5 GHBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000609018157 865924802 /nfs/dbraw/zinc/92/48/02/865924802.db2.gz REWIGCWPRDBBAC-FQEVSTJZSA-N 0 3 396.491 3.740 20 5 GHBDHN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000553209152 866964874 /nfs/dbraw/zinc/96/48/74/866964874.db2.gz RMCXKVOGYRFZPG-GFCCVEGCSA-N 0 3 379.363 3.876 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000444895237 867454421 /nfs/dbraw/zinc/45/44/21/867454421.db2.gz BHAHWTLOPFNLBZ-GOEBONIOSA-N 0 3 384.436 3.560 20 5 GHBDHN C[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000743036601 867768644 /nfs/dbraw/zinc/76/86/44/867768644.db2.gz NXXMAIJRPCLXQD-INIZCTEOSA-N 0 3 384.505 3.888 20 5 GHBDHN COc1cc(CN[C@H]2C[C@H](OC(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000594612076 867817742 /nfs/dbraw/zinc/81/77/42/867817742.db2.gz KULSIGUBOOXNBU-JOCQHMNTSA-N 0 3 388.411 3.683 20 5 GHBDHN CN(C)[C@@]1(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCSC1 ZINC000479467162 867860907 /nfs/dbraw/zinc/86/09/07/867860907.db2.gz VKGGKLVWQGNFLP-HXUWFJFHSA-N 0 3 385.489 3.675 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000041800780 868067982 /nfs/dbraw/zinc/06/79/82/868067982.db2.gz DKCUTCAENIQGJO-QGZVFWFLSA-N 0 3 384.461 3.705 20 5 GHBDHN C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000553865645 868372590 /nfs/dbraw/zinc/37/25/90/868372590.db2.gz WDGZLCYVSLEFSP-INIZCTEOSA-N 0 3 394.475 3.603 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000539672407 869589138 /nfs/dbraw/zinc/58/91/38/869589138.db2.gz WHUYVMCVJVJAAA-KBPBESRZSA-N 0 3 377.510 3.842 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000462634750 869803115 /nfs/dbraw/zinc/80/31/15/869803115.db2.gz BSECNCRMWRBNLA-GOSISDBHSA-N 0 3 387.480 3.655 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181208803 870282883 /nfs/dbraw/zinc/28/28/83/870282883.db2.gz VQJSGYQYMQANGF-OXJNMPFZSA-N 0 3 383.448 3.599 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1 ZINC000538832827 870707938 /nfs/dbraw/zinc/70/79/38/870707938.db2.gz OGEDIONOMUSACO-LJQANCHMSA-N 0 3 390.443 3.690 20 5 GHBDHN C[C@@H](C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617736194 870839456 /nfs/dbraw/zinc/83/94/56/870839456.db2.gz MTBKZXAQRWDHFH-QZTJIDSGSA-N 0 3 381.476 3.821 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)N(C)C)cc1 ZINC000447235902 871225348 /nfs/dbraw/zinc/22/53/48/871225348.db2.gz DEHTXXJLEPNRHF-NRFANRHFSA-N 0 3 396.491 3.528 20 5 GHBDHN Cc1ccc([C@@H](C)NCCCS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000540476307 871356173 /nfs/dbraw/zinc/35/61/73/871356173.db2.gz DGTBQHGTARHHLR-CQSZACIVSA-N 0 3 380.441 3.557 20 5 GHBDHN O=C(CCN1CCC[C@@H]1Cc1cc(F)ccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC001195259417 872288202 /nfs/dbraw/zinc/28/82/02/872288202.db2.gz XEFAAMYMMSEGLG-GOSISDBHSA-N 0 3 389.402 3.909 20 5 GHBDHN NC(=O)c1ccc(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000767886454 872914800 /nfs/dbraw/zinc/91/48/00/872914800.db2.gz XLZNMKFQIAUNHC-AWEZNQCLSA-N 0 3 393.365 3.702 20 5 GHBDHN C[C@H](c1cccc(F)c1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460352996 872956233 /nfs/dbraw/zinc/95/62/33/872956233.db2.gz OYRGRDSWKDENDF-CQSZACIVSA-N 0 3 383.427 3.884 20 5 GHBDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000478498757 873107474 /nfs/dbraw/zinc/10/74/74/873107474.db2.gz HUBMUCQLSGMOGM-CQSZACIVSA-N 0 3 377.466 3.516 20 5 GHBDHN Cc1c(Br)c(NC[C@H](c2ccc(F)cc2)N(C)C)ncc1[N+](=O)[O-] ZINC000541578656 873899348 /nfs/dbraw/zinc/89/93/48/873899348.db2.gz NBQJPBUSHPOKQV-CQSZACIVSA-N 0 3 397.248 3.915 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1CN1CCOCC1)CCC2 ZINC000192616157 882818494 /nfs/dbraw/zinc/81/84/94/882818494.db2.gz KFERBEBKXPAUSO-JOCHJYFZSA-N 0 3 381.476 3.594 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)COc3ccc(F)cc3)o2)c1 ZINC001199689172 875130102 /nfs/dbraw/zinc/13/01/02/875130102.db2.gz OORINALQEYDZST-QGZVFWFLSA-N 0 3 386.379 3.523 20 5 GHBDHN COc1cc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])cc1OC ZINC000449623065 875141380 /nfs/dbraw/zinc/14/13/80/875141380.db2.gz LBCPTHAHGVWANC-CXAGYDPISA-N 0 3 378.450 3.683 20 5 GHBDHN Cc1c(Br)cccc1C[C@H](CO)CNCc1csc([N+](=O)[O-])c1 ZINC000449683929 875235252 /nfs/dbraw/zinc/23/52/52/875235252.db2.gz OMFLWBKBAYYBLP-LBPRGKRZSA-N 0 3 399.310 3.668 20 5 GHBDHN C[NH+]1CCC(COc2ccc(F)cc2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001201229129 875565391 /nfs/dbraw/zinc/56/53/91/875565391.db2.gz DBMILBFULAOEDK-UHFFFAOYSA-N 0 3 375.400 3.904 20 5 GHBDHN COc1ccc(NC(=O)C[C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000271843069 875704614 /nfs/dbraw/zinc/70/46/14/875704614.db2.gz WEOJAOVUNIJVOL-UONOGXRCSA-N 0 3 387.436 3.680 20 5 GHBDHN COc1ccc2c(c1)OC[C@@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC001201856852 875889955 /nfs/dbraw/zinc/88/99/55/875889955.db2.gz BNYRXIXXSKDSOI-INIZCTEOSA-N 0 3 380.400 3.957 20 5 GHBDHN CCN(CC)[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccsc1 ZINC000053561017 875959650 /nfs/dbraw/zinc/95/96/50/875959650.db2.gz AQRHJQMKIMAABH-KRWDZBQOSA-N 0 3 376.482 3.511 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000776275298 876144103 /nfs/dbraw/zinc/14/41/03/876144103.db2.gz CRFIXCASYPYTGO-MAUKXSAKSA-N 0 3 387.505 3.843 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000443947107 876942659 /nfs/dbraw/zinc/94/26/59/876942659.db2.gz NTFYJWWRFUYILJ-SFHVURJKSA-N 0 3 382.464 3.998 20 5 GHBDHN Cc1c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)sc2nc(C)nc(C)c12 ZINC000787289778 877297782 /nfs/dbraw/zinc/29/77/82/877297782.db2.gz WSMVEXFBUAVXFK-UHFFFAOYSA-N 0 3 386.481 3.558 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610041856 877323437 /nfs/dbraw/zinc/32/34/37/877323437.db2.gz GKRBDJLCAFKGJR-LPHOPBHVSA-N 0 3 381.476 3.824 20 5 GHBDHN Cc1nn(CN2CCC(c3ncc4n3CCCC4)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000788382604 878046841 /nfs/dbraw/zinc/04/68/41/878046841.db2.gz OJCRGOPYVJOAKZ-UHFFFAOYSA-N 0 3 394.479 3.623 20 5 GHBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000776579174 878190318 /nfs/dbraw/zinc/19/03/18/878190318.db2.gz LEOGPEOXRASQJZ-FGTMMUONSA-N 0 3 397.258 3.525 20 5 GHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC001183176866 912332727 /nfs/dbraw/zinc/33/27/27/912332727.db2.gz UBBYGGBCQONJGC-UHFFFAOYSA-N 0 3 396.491 3.994 20 5 GHBDHN O=C(N1CCC[C@H](C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1)C(F)(F)F ZINC000852600237 878455250 /nfs/dbraw/zinc/45/52/50/878455250.db2.gz FQSRQKHNRGPBEH-INIZCTEOSA-N 0 3 399.413 3.608 20 5 GHBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000493476489 879470112 /nfs/dbraw/zinc/47/01/12/879470112.db2.gz CUVQIDUHNVJYPZ-QRWLVFNGSA-N 0 3 380.448 3.505 20 5 GHBDHN O=[N+]([O-])c1cnc2ccccc2c1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000487718208 879559057 /nfs/dbraw/zinc/55/90/57/879559057.db2.gz FBWSNXIZAUICBE-UHFFFAOYSA-N 0 3 394.397 3.782 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494069005 879891819 /nfs/dbraw/zinc/89/18/19/879891819.db2.gz MALLAPNXMQBZPZ-YOEHRIQHSA-N 0 3 387.867 3.949 20 5 GHBDHN CSc1ccccc1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791601863 880568030 /nfs/dbraw/zinc/56/80/30/880568030.db2.gz PNPIRNPRBOKEOO-UHFFFAOYSA-N 0 3 377.441 3.916 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001183501526 912597236 /nfs/dbraw/zinc/59/72/36/912597236.db2.gz XMORCWMBKOSDLW-OXJNMPFZSA-N 0 3 393.447 3.540 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000531965827 880831488 /nfs/dbraw/zinc/83/14/88/880831488.db2.gz GEXNSNZBDCWHQS-PGRDOPGGSA-N 0 3 382.508 3.543 20 5 GHBDHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000551219143 883509676 /nfs/dbraw/zinc/50/96/76/883509676.db2.gz BSVKPSUUDFSXNJ-XIKOKIGWSA-N 0 3 396.871 3.756 20 5 GHBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000064521929 883614743 /nfs/dbraw/zinc/61/47/43/883614743.db2.gz GDENRCXIELPIHP-ZDUSSCGKSA-N 0 3 393.896 3.952 20 5 GHBDHN CC1CCC(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000609787663 883681790 /nfs/dbraw/zinc/68/17/90/883681790.db2.gz QSYLUOPHFDHBRJ-UHFFFAOYSA-N 0 3 379.888 3.514 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(CN3CCOCC3)c1)CCC2 ZINC000192694787 883696756 /nfs/dbraw/zinc/69/67/56/883696756.db2.gz WHCNTCNSFDOHLY-JOCHJYFZSA-N 0 3 381.476 3.594 20 5 GHBDHN O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(CN2CCCC2)c1 ZINC000805896205 884182033 /nfs/dbraw/zinc/18/20/33/884182033.db2.gz CLSUOSKBTJWBKK-OALUTQOASA-N 0 3 398.463 3.728 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1[C@H]1CCOC1 ZINC000860855352 885055299 /nfs/dbraw/zinc/05/52/99/885055299.db2.gz YCZGDHCBEBQFBC-DOXZYTNZSA-N 0 3 390.411 3.769 20 5 GHBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1ccn(Cc2ccccc2)n1)C1CC1 ZINC000556606301 885623852 /nfs/dbraw/zinc/62/38/52/885623852.db2.gz WHXJASKTTVRFQH-NRFANRHFSA-N 0 3 376.460 3.951 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000194915318 885687128 /nfs/dbraw/zinc/68/71/28/885687128.db2.gz XSRREYPTQLXGLI-SFHVURJKSA-N 0 3 385.439 3.605 20 5 GHBDHN CN(C)c1noc([C@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000194927345 885764921 /nfs/dbraw/zinc/76/49/21/885764921.db2.gz VVVUUHSFGKFWQY-HNNXBMFYSA-N 0 3 397.435 3.683 20 5 GHBDHN Cc1ccc([C@H](C)N[C@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1[N+](=O)[O-] ZINC000862283536 886276741 /nfs/dbraw/zinc/27/67/41/886276741.db2.gz JVMUDBFVHXMKOH-HDMKZQKVSA-N 0 3 393.484 3.578 20 5 GHBDHN CC(C)(C)OC(=O)NCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811478214 889664446 /nfs/dbraw/zinc/66/44/46/889664446.db2.gz DIFBLJWSSRLMSI-UHFFFAOYSA-N 0 3 378.256 3.906 20 5 GHBDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000454758784 889699700 /nfs/dbraw/zinc/69/97/00/889699700.db2.gz LAURCDYBYJXRIQ-MSOLQXFVSA-N 0 3 396.491 3.819 20 5 GHBDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000130245556 890041934 /nfs/dbraw/zinc/04/19/34/890041934.db2.gz VTLFFFFYNKOAJY-VQTJNVASSA-N 0 3 386.448 3.607 20 5 GHBDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000130245991 890042025 /nfs/dbraw/zinc/04/20/25/890042025.db2.gz VTLFFFFYNKOAJY-WOJBJXKFSA-N 0 3 386.448 3.607 20 5 GHBDHN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533429136 890541125 /nfs/dbraw/zinc/54/11/25/890541125.db2.gz NGGJOQMIGWDKDU-VHSSKADRSA-N 0 3 395.887 3.712 20 5 GHBDHN Cc1nnc(SCc2c3ccccc3oc2C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813110655 891304422 /nfs/dbraw/zinc/30/44/22/891304422.db2.gz GTPQMIMWWUFMBA-VIFPVBQESA-N 0 3 393.446 3.707 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000813823133 891996454 /nfs/dbraw/zinc/99/64/54/891996454.db2.gz FWAZWRNGAONLOM-DMCPXADVSA-N 0 3 379.460 3.777 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H]3CCc3ccccc3)n2)c1 ZINC000917478116 892040802 /nfs/dbraw/zinc/04/08/02/892040802.db2.gz JSLZRFBEEOSLDO-IBGZPJMESA-N 0 3 377.448 3.908 20 5 GHBDHN CCc1ccc([C@@H]2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000814224704 892417906 /nfs/dbraw/zinc/41/79/06/892417906.db2.gz LWGZVTSGCYUXTB-LJQANCHMSA-N 0 3 377.448 3.863 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000064249479 893939810 /nfs/dbraw/zinc/93/98/10/893939810.db2.gz YCMDTAACORIOFV-FUHWJXTLSA-N 0 3 390.867 3.695 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cc(C)ccc1OC ZINC000459729657 894118535 /nfs/dbraw/zinc/11/85/35/894118535.db2.gz KOZIPAFQFBSCJH-AWEZNQCLSA-N 0 3 387.436 3.600 20 5 GHBDHN C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CO1 ZINC000565596394 895750876 /nfs/dbraw/zinc/75/08/76/895750876.db2.gz JFGGDNDDENHCST-GHMZBOCLSA-N 0 3 381.226 3.884 20 5 GHBDHN O=C(Nc1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000818979289 896300623 /nfs/dbraw/zinc/30/06/23/896300623.db2.gz JTJJSSICUHNXQA-NRFANRHFSA-N 0 3 397.475 3.937 20 5 GHBDHN O=C(Nc1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1)C1CCCC1 ZINC000818971238 896331152 /nfs/dbraw/zinc/33/11/52/896331152.db2.gz ZZMBQPICDJHOKU-HXUWFJFHSA-N 0 3 383.448 3.547 20 5 GHBDHN C[C@H]1CN(CCCCNc2cccc(Br)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000820675622 897457910 /nfs/dbraw/zinc/45/79/10/897457910.db2.gz JQBSWPKFVSFZRR-STQMWFEESA-N 0 3 386.290 3.659 20 5 GHBDHN C[C@@H](CN(C)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001170959999 897800121 /nfs/dbraw/zinc/80/01/21/897800121.db2.gz SPHGBYWXCMAPLO-NSHDSACASA-N 0 3 387.274 3.767 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000822572276 898483391 /nfs/dbraw/zinc/48/33/91/898483391.db2.gz ZLOKNLAFJHVQLS-UHFFFAOYSA-N 0 3 399.413 3.747 20 5 GHBDHN CC([C@H](OC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845872149 902473415 /nfs/dbraw/zinc/47/34/15/902473415.db2.gz CTDPDSGOBOLLKM-SGTLLEGYSA-N 0 3 375.352 3.550 20 5 GHBDHN CSc1ncc(Cl)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845872108 902473725 /nfs/dbraw/zinc/47/37/25/902473725.db2.gz BVUKVMKIJPMXSI-OQPBUACISA-N 0 3 385.804 3.554 20 5 GHBDHN CCOc1ccc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845873432 902475345 /nfs/dbraw/zinc/47/53/45/902475345.db2.gz UDJONGXXFYCXQX-ORAYPTAESA-N 0 3 377.368 3.553 20 5 GHBDHN CCOc1ccc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845873428 902475473 /nfs/dbraw/zinc/47/54/73/902475473.db2.gz UDJONGXXFYCXQX-BFUOFWGJSA-N 0 3 377.368 3.553 20 5 GHBDHN CC(C)C(=O)Nc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874435 902476864 /nfs/dbraw/zinc/47/68/64/902476864.db2.gz IIYCTAALMWPTAN-SCLBCKFNSA-N 0 3 388.395 3.984 20 5 GHBDHN Cc1c([C@H](C)NCCCS(=O)(=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000127446636 902482670 /nfs/dbraw/zinc/48/26/70/902482670.db2.gz OJORZABZKOHNJF-INIZCTEOSA-N 0 3 376.478 3.559 20 5 GHBDHN CC([C@@H](OC(=O)[C@H]1CCN(c2ccccc2F)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883510 902486848 /nfs/dbraw/zinc/48/68/48/902486848.db2.gz UEPFUNZSNSPNRD-BIENJYKASA-N 0 3 390.386 3.741 20 5 GHBDHN C[C@@H]1[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001186640076 914699103 /nfs/dbraw/zinc/69/91/03/914699103.db2.gz WQZJRDXTZIAAJC-CRAIPNDOSA-N 0 3 392.459 3.522 20 5 GHBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000151876352 904208170 /nfs/dbraw/zinc/20/81/70/904208170.db2.gz KJAVEJMCVUZJFS-INIZCTEOSA-N 0 3 399.495 3.575 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174869876 905378923 /nfs/dbraw/zinc/37/89/23/905378923.db2.gz ITJCPTRHEBYHQF-UHFFFAOYSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CCOc3c(F)cccc32)c1F ZINC001173176513 906253568 /nfs/dbraw/zinc/25/35/68/906253568.db2.gz HPURIVSNIJGPHR-IAQYHMDHSA-N 0 3 378.375 3.926 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](c2cccnc2OC)C2CC2)c1F ZINC001173182317 906263234 /nfs/dbraw/zinc/26/32/34/906263234.db2.gz RWTZRLXHTGBDNO-CWTRNNRKSA-N 0 3 389.427 3.818 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CCOc3cc(F)ccc32)c1F ZINC001173184291 906265937 /nfs/dbraw/zinc/26/59/37/906265937.db2.gz PQOVPKMHKKNOLG-IAQYHMDHSA-N 0 3 378.375 3.926 20 5 GHBDHN COc1cc(CN(C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc(OC)c1 ZINC001173189257 906269966 /nfs/dbraw/zinc/26/99/66/906269966.db2.gz JXLLCEGJLMXFHA-ZDUSSCGKSA-N 0 3 392.427 3.823 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cccc(Br)n2)c1F ZINC001173189821 906270911 /nfs/dbraw/zinc/27/09/11/906270911.db2.gz RNDQHVOBAMMQSH-JTQLQIEISA-N 0 3 398.232 3.621 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](CO)c2ccc(Cl)cc2)c1F ZINC001173192808 906275332 /nfs/dbraw/zinc/27/53/32/906275332.db2.gz REKDWSGWSXZMLG-XHDPSFHLSA-N 0 3 382.819 3.650 20 5 GHBDHN COc1cccc(Cn2cnc(CN[C@@H](C)Cc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC001173224475 906308016 /nfs/dbraw/zinc/30/80/16/906308016.db2.gz NFMCQCKWFJKWMW-INIZCTEOSA-N 0 3 380.448 3.569 20 5 GHBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000178461905 906346356 /nfs/dbraw/zinc/34/63/56/906346356.db2.gz KHAHTHXIAKYTIJ-KBPBESRZSA-N 0 3 377.466 3.687 20 5 GHBDHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001175255071 907469677 /nfs/dbraw/zinc/46/96/77/907469677.db2.gz HSEVWVYXHYTIJO-GOSISDBHSA-N 0 3 385.439 3.861 20 5 GHBDHN COC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC001175560370 907636613 /nfs/dbraw/zinc/63/66/13/907636613.db2.gz KNKSVAMGYSRGGR-KRWDZBQOSA-N 0 3 395.253 3.713 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001177459123 908578153 /nfs/dbraw/zinc/57/81/53/908578153.db2.gz MEZJZFBDTRQNAG-OAHLLOKOSA-N 0 3 398.381 3.760 20 5 GHBDHN COc1cccc([C@@H]2[C@@H](NCc3cc(F)ccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000801958349 921686661 /nfs/dbraw/zinc/68/66/61/921686661.db2.gz CXELMWXVDJYIEI-PZJWPPBQSA-N 0 3 385.439 3.810 20 5 GHBDHN CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775062562 914901402 /nfs/dbraw/zinc/90/14/02/914901402.db2.gz BPSNSDUXMFQLMN-LJQANCHMSA-N 0 3 384.436 3.599 20 5 GHBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303818841 915157443 /nfs/dbraw/zinc/15/74/43/915157443.db2.gz JREBVTJWMZDNQL-QZTJIDSGSA-N 0 3 378.469 3.877 20 5 GHBDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001191474265 918010726 /nfs/dbraw/zinc/01/07/26/918010726.db2.gz ICIAAAWMOFITEG-MMOPVJDHSA-N 0 3 379.460 3.653 20 5 GHBDHN COc1ccc(OC)c([C@@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000409863880 925079279 /nfs/dbraw/zinc/07/92/79/925079279.db2.gz HCDXRRMKRSTMTD-SFHVURJKSA-N 0 3 399.447 3.778 20 5 GHBDHN O=C1OCCN1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000827740547 925942319 /nfs/dbraw/zinc/94/23/19/925942319.db2.gz ANWGOWRGRYRXRH-UHFFFAOYSA-N 0 3 387.461 3.740 20 5 GHBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)N2CCCC2)o1 ZINC000725791768 926441035 /nfs/dbraw/zinc/44/10/35/926441035.db2.gz XOASWLHHPREREA-LJQANCHMSA-N 0 3 398.463 3.637 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000467042793 928630863 /nfs/dbraw/zinc/63/08/63/928630863.db2.gz CKOYUGOUQJTWDF-APWZRJJASA-N 0 3 381.476 3.652 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN(Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000752352447 928788358 /nfs/dbraw/zinc/78/83/58/928788358.db2.gz GXMMNXZTGALFKA-HXUWFJFHSA-N 0 3 382.416 3.802 20 5 GHBDHN C[C@@H](C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544399682 929132935 /nfs/dbraw/zinc/13/29/35/929132935.db2.gz PHJQQWDXRIOKSA-VQIMIIECSA-N 0 3 399.466 3.960 20 5 GHBDHN Cc1cc([C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)ccc1F ZINC000557709351 931623614 /nfs/dbraw/zinc/62/36/14/931623614.db2.gz MYULQVKDNSHFIZ-UXHICEINSA-N 0 3 383.423 3.889 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000557955349 931773412 /nfs/dbraw/zinc/77/34/12/931773412.db2.gz DHIRBKFXZSYUHM-OXJNMPFZSA-N 0 3 387.455 3.722 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000797090006 932178259 /nfs/dbraw/zinc/17/82/59/932178259.db2.gz WQVSJDKHAAWDLF-OXKNWPCVSA-N 0 3 377.444 3.751 20 5 GHBDHN COC(=O)N1CCC(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000797097087 932181561 /nfs/dbraw/zinc/18/15/61/932181561.db2.gz OXCNPJVYHLQZMV-FQEVSTJZSA-N 0 3 383.448 3.752 20 5 GHBDHN CC[C@@H](C)NC(=O)CCNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116012478 933281829 /nfs/dbraw/zinc/28/18/29/933281829.db2.gz AYNOSDGWFGLKOC-GFCCVEGCSA-N 0 3 379.844 3.903 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccc(Br)o3)CC2)cc1 ZINC001116704434 933713406 /nfs/dbraw/zinc/71/34/06/933713406.db2.gz LIMPIBUFYBGEBI-UHFFFAOYSA-N 0 3 380.242 3.709 20 5 GHBDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000561434094 934156298 /nfs/dbraw/zinc/15/62/98/934156298.db2.gz APRLWKPKBCEFEB-VQIMIIECSA-N 0 3 379.460 3.889 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001626005105 1014737808 /nfs/dbraw/zinc/73/78/08/1014737808.db2.gz BQYBSOKDTRBVGU-INIZCTEOSA-N 0 3 390.415 3.557 20 5 GHBDHN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000545475751 1015915997 /nfs/dbraw/zinc/91/59/97/1015915997.db2.gz JZFQTRQYHQUWLI-HXUWFJFHSA-N 0 3 381.476 3.569 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1C(F)(F)F ZINC001154747090 1032268562 /nfs/dbraw/zinc/26/85/62/1032268562.db2.gz GFLDZSNNXMFFHF-UHFFFAOYSA-N 0 3 382.342 3.510 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)[n-]c2c1 ZINC001227742637 1032539329 /nfs/dbraw/zinc/53/93/29/1032539329.db2.gz CGIUIJGMSSSWAP-OXFYSEKESA-N 0 3 378.432 3.761 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)[n-]c2c1 ZINC001227742637 1032539335 /nfs/dbraw/zinc/53/93/35/1032539335.db2.gz CGIUIJGMSSSWAP-OXFYSEKESA-N 0 3 378.432 3.761 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C2CCOCC2)C1 ZINC000933080867 1018840114 /nfs/dbraw/zinc/84/01/14/1018840114.db2.gz FPACOVINIBMXCC-PBHICJAKSA-N 0 3 386.452 3.844 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)n2)cc1 ZINC000795752932 1021104995 /nfs/dbraw/zinc/10/49/95/1021104995.db2.gz RHWGHJIPVIOVHE-UHFFFAOYSA-N 0 3 393.447 3.974 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000801539307 1021409863 /nfs/dbraw/zinc/40/98/63/1021409863.db2.gz FOAUYKUFUWIZGR-BFYDXBDKSA-N 0 3 393.459 3.859 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000754272607 1022575349 /nfs/dbraw/zinc/57/53/49/1022575349.db2.gz VJRZDNPFIYETSB-DTQAZKPQSA-N 0 3 385.439 3.728 20 5 GHBDHN O=C(CN[C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839541640 1026034928 /nfs/dbraw/zinc/03/49/28/1026034928.db2.gz XERJMPOPZKYHGT-KUHUBIRLSA-N 0 3 389.839 3.554 20 5 GHBDHN CN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1Cc1ccccc1 ZINC001163260848 1026110999 /nfs/dbraw/zinc/11/09/99/1026110999.db2.gz UEJWYTKXWYPPPD-INIZCTEOSA-N 0 3 377.391 3.559 20 5 GHBDHN O=C(c1ccccc1)c1ccc(N2CCN[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001164190775 1026446513 /nfs/dbraw/zinc/44/65/13/1026446513.db2.gz MEGDEVXZJDOMQD-HXUWFJFHSA-N 0 3 387.439 3.977 20 5 GHBDHN Cc1c(CNC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001461265076 1069468937 /nfs/dbraw/zinc/46/89/37/1069468937.db2.gz WIPHNLUAJWDGRW-PBHICJAKSA-N 0 3 393.484 3.753 20 5 GHBDHN O=c1c2ccccc2oc2ccc(-c3nc(-c4ccc5c(n4)CCNC5)no3)cc21 ZINC001217410296 1030374980 /nfs/dbraw/zinc/37/49/80/1030374980.db2.gz OFBKTYLPRVOWRK-UHFFFAOYSA-N 0 3 396.406 3.704 20 5 GHBDHN Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2CNCCC2(F)F)c1Br ZINC001218454291 1030943605 /nfs/dbraw/zinc/94/36/05/1030943605.db2.gz QOVALGIZYHRLHL-VIFPVBQESA-N 0 3 385.592 3.695 20 5 GHBDHN CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001218662810 1031024275 /nfs/dbraw/zinc/02/42/75/1031024275.db2.gz CNMWIHGOLIGGHQ-KRWDZBQOSA-N 0 3 386.427 3.862 20 5 GHBDHN C[S@](=O)[C@H]1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC001461804987 1069759555 /nfs/dbraw/zinc/75/95/55/1069759555.db2.gz HZTRLFBDUOXAGW-MCGQKYITSA-N 0 3 392.452 3.915 20 5 GHBDHN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001230248122 1033961041 /nfs/dbraw/zinc/96/10/41/1033961041.db2.gz XNRAKIUQIDAZHQ-YCRPNKLZSA-N 0 3 383.448 3.843 20 5 GHBDHN CN1CCC(N(Cc2ccc(F)cc2)c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001158446518 1034080740 /nfs/dbraw/zinc/08/07/40/1034080740.db2.gz SVPFQCCDKIEVPI-UHFFFAOYSA-N 0 3 378.835 3.883 20 5 GHBDHN CC1(C)CN(Cc2ccccc2)C[C@H](COc2cc3[nH]ncc3cc2[N+](=O)[O-])O1 ZINC001230600540 1034140973 /nfs/dbraw/zinc/14/09/73/1034140973.db2.gz GTSWCXIMGOXIOS-QGZVFWFLSA-N 0 3 396.447 3.530 20 5 GHBDHN O=[N+]([O-])c1ccc2c(ccnc2NCC2CCN(Cc3ccccn3)CC2)c1 ZINC001161244564 1035190335 /nfs/dbraw/zinc/19/03/35/1035190335.db2.gz ORKJHFJTQCAHIV-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001462052326 1069968842 /nfs/dbraw/zinc/96/88/42/1069968842.db2.gz LUEGJPXIORJXFQ-KGLIPLIRSA-N 0 3 387.484 3.923 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001254554664 1040324294 /nfs/dbraw/zinc/32/42/94/1040324294.db2.gz DAEJSCAUXHJDJL-ZLGUVYLKSA-N 0 3 379.460 3.796 20 5 GHBDHN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CCN2[C@@H](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC001254558667 1040329028 /nfs/dbraw/zinc/32/90/28/1040329028.db2.gz VANCEIMWANHJCG-RCVZYCBYSA-N 0 3 376.497 3.820 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2ccccc2F)CC1 ZINC001254569767 1040346424 /nfs/dbraw/zinc/34/64/24/1040346424.db2.gz KTRPVCGAXCJTSR-OAHLLOKOSA-N 0 3 385.439 3.559 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cn(Cc3ccccc3Cl)cn1)C2 ZINC001254587591 1040360856 /nfs/dbraw/zinc/36/08/56/1040360856.db2.gz QPVYXQJZXQQPCX-KRWDZBQOSA-N 0 3 382.851 3.750 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cn(Cc3ccc(Cl)cc3)cn1)C2 ZINC001254588251 1040362195 /nfs/dbraw/zinc/36/21/95/1040362195.db2.gz WXJLSIITXNAUSS-SFHVURJKSA-N 0 3 382.851 3.750 20 5 GHBDHN C[C@H](NC[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001462578708 1070385579 /nfs/dbraw/zinc/38/55/79/1070385579.db2.gz MLFDATJXRWPJSW-SWLSCSKDSA-N 0 3 385.411 3.890 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001294803981 1044800297 /nfs/dbraw/zinc/80/02/97/1044800297.db2.gz NQVOSIDFHMQWMO-LPHOPBHVSA-N 0 3 397.475 3.775 20 5 GHBDHN Cc1cc(C)c(OC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c([N+](=O)[O-])c1 ZINC001264250353 1047280195 /nfs/dbraw/zinc/28/01/95/1047280195.db2.gz RENFSNPHTVUPHC-UHFFFAOYSA-N 0 3 397.475 3.961 20 5 GHBDHN C[C@@H]1Cc2ccccc2N1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307549976 1049391824 /nfs/dbraw/zinc/39/18/24/1049391824.db2.gz IMTDWBTZNPSDCN-QGZVFWFLSA-N 0 3 381.476 3.889 20 5 GHBDHN C[C@@H](NCc1ccc(CN(C)C)c2c1OC(F)(F)O2)c1cccc([N+](=O)[O-])c1 ZINC001308208183 1049912951 /nfs/dbraw/zinc/91/29/51/1049912951.db2.gz LRLUUUNWTYNKSF-GFCCVEGCSA-N 0 3 393.390 3.829 20 5 GHBDHN Cc1nn(-c2ccccc2C)c(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001308733708 1050075493 /nfs/dbraw/zinc/07/54/93/1050075493.db2.gz QMHJCDDCCQGWJK-UHFFFAOYSA-N 0 3 394.479 3.739 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001312024257 1052535671 /nfs/dbraw/zinc/53/56/71/1052535671.db2.gz KDOJXIKGZBAFKZ-YLJYHZDGSA-N 0 3 396.491 3.928 20 5 GHBDHN CC([C@H](OC(=O)C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC001344022504 1054195185 /nfs/dbraw/zinc/19/51/85/1054195185.db2.gz OKSFEKYYLHWFDL-IZDJOXEWSA-N 0 3 386.379 3.591 20 5 GHBDHN COc1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC001345082567 1054892842 /nfs/dbraw/zinc/89/28/42/1054892842.db2.gz AKFITMXGURCJDH-MRXNPFEDSA-N 0 3 392.843 3.681 20 5 GHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001319998505 1055587881 /nfs/dbraw/zinc/58/78/81/1055587881.db2.gz VKEZSEICIKEWEK-OAHLLOKOSA-N 0 3 393.443 3.664 20 5 GHBDHN C[C@@H](COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC1 ZINC000847960830 1056280530 /nfs/dbraw/zinc/28/05/30/1056280530.db2.gz OLQDVBFVDGUVBE-ZDUSSCGKSA-N 0 3 375.450 3.750 20 5 GHBDHN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001472868320 1056977091 /nfs/dbraw/zinc/97/70/91/1056977091.db2.gz WYTNDCWXLHYNBX-INIZCTEOSA-N 0 3 384.823 3.653 20 5 GHBDHN Cc1c(Br)cc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001325470896 1057331937 /nfs/dbraw/zinc/33/19/37/1057331937.db2.gz SPDUURLKLKRXAR-GFCCVEGCSA-N 0 3 393.241 3.525 20 5 GHBDHN COc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC001346522651 1061649066 /nfs/dbraw/zinc/64/90/66/1061649066.db2.gz QYTPEZUEDSYZFD-SFHVURJKSA-N 0 3 384.436 3.562 20 5 GHBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455409741 1062133118 /nfs/dbraw/zinc/13/31/18/1062133118.db2.gz ALRATWJDYMHKAL-OALUTQOASA-N 0 3 380.448 3.647 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1F ZINC001435994622 1063072576 /nfs/dbraw/zinc/07/25/76/1063072576.db2.gz KAFSBENKRYZTTJ-IBGZPJMESA-N 0 3 387.455 3.929 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001436142503 1063233157 /nfs/dbraw/zinc/23/31/57/1063233157.db2.gz UOEGKJCVJRWQDF-RXVVDRJESA-N 0 3 397.450 3.809 20 5 GHBDHN C[C@H](C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC001436939606 1063715003 /nfs/dbraw/zinc/71/50/03/1063715003.db2.gz ZJWZSXAYRPMVFV-XPIZARPCSA-N 0 3 397.450 3.570 20 5 GHBDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC001458468577 1063828944 /nfs/dbraw/zinc/82/89/44/1063828944.db2.gz JZZOZGCVUSBVHO-RRFJBIMHSA-N 0 3 385.493 3.792 20 5 GHBDHN COc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001349876596 1063933127 /nfs/dbraw/zinc/93/31/27/1063933127.db2.gz ZAMLBOSANHQBKR-UHFFFAOYSA-N 0 3 398.463 3.732 20 5 GHBDHN CCC(CC)Nc1ccncc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001468498744 1067752441 /nfs/dbraw/zinc/75/24/41/1067752441.db2.gz VFKPVEDMEIIZGS-UHFFFAOYSA-N 0 3 383.452 3.839 20 5 GHBDHN CCc1ccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC001468581094 1067779133 /nfs/dbraw/zinc/77/91/33/1067779133.db2.gz XPSFOZOEKCSBOC-NRFANRHFSA-N 0 3 399.491 3.977 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(N3CCSCC3)CCCCC2)c1C ZINC001360147831 1068387494 /nfs/dbraw/zinc/38/74/94/1068387494.db2.gz JMQWZZODGXEZCK-UHFFFAOYSA-N 0 3 391.537 3.693 20 5 GHBDHN CC1(C)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1OCc1ccccc1 ZINC001460122060 1068792296 /nfs/dbraw/zinc/79/22/96/1068792296.db2.gz MLOIJUKUTNSSJZ-MOPGFXCFSA-N 0 3 380.448 3.945 20 5 GHBDHN Cc1ccc(CN(C)C[C@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC001460242747 1068881959 /nfs/dbraw/zinc/88/19/59/1068881959.db2.gz SLFPWFLVAROALB-KRWDZBQOSA-N 0 3 379.254 3.831 20 5 GHBDHN Cc1c(CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001478429240 1078865407 /nfs/dbraw/zinc/86/54/07/1078865407.db2.gz GVLHLPNYMCXLIO-KRWDZBQOSA-N 0 3 396.491 3.567 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001470781944 1072737593 /nfs/dbraw/zinc/73/75/93/1072737593.db2.gz YHJYZTODPCRMJP-HNAYVOBHSA-N 0 3 381.476 3.852 20 5 GHBDHN C[C@@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471322717 1073018042 /nfs/dbraw/zinc/01/80/42/1073018042.db2.gz WAYKZHPIZMVPTK-UTKZUKDTSA-N 0 3 396.491 3.962 20 5 GHBDHN C[C@@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001471321576 1073018353 /nfs/dbraw/zinc/01/83/53/1073018353.db2.gz LRYHPCPBVXLOLB-GOSISDBHSA-N 0 3 398.507 3.862 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC001471687320 1073179590 /nfs/dbraw/zinc/17/95/90/1073179590.db2.gz RHBVSNRUQGKTKC-IRXDYDNUSA-N 0 3 377.510 3.796 20 5 GHBDHN CN(CCCN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Cc1ccncc1 ZINC001472821359 1073680734 /nfs/dbraw/zinc/68/07/34/1073680734.db2.gz GRVQBYSARAYEED-UHFFFAOYSA-N 0 3 382.386 3.967 20 5 GHBDHN CO[C@@H]1COC[C@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001474192301 1074288911 /nfs/dbraw/zinc/28/89/11/1074288911.db2.gz PXLZTQNOTJNHGL-CRAIPNDOSA-N 0 3 378.812 3.544 20 5 GHBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474397609 1074385249 /nfs/dbraw/zinc/38/52/49/1074385249.db2.gz VTPHCIKRNQQVBK-YGRLFVJLSA-N 0 3 391.287 3.630 20 5 GHBDHN CCOc1cc(N2CCN(CC3(CCCOC)CCC3)CC2)ccc1[N+](=O)[O-] ZINC001474490874 1074429407 /nfs/dbraw/zinc/42/94/07/1074429407.db2.gz NIBDNRXYVMVPAQ-UHFFFAOYSA-N 0 3 391.512 3.712 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431801679 837695695 /nfs/dbraw/zinc/69/56/95/837695695.db2.gz SPIUNNSOVVCOGG-QFBILLFUSA-N 0 3 396.491 3.965 20 5 GHBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136738904 834567812 /nfs/dbraw/zinc/56/78/12/834567812.db2.gz XTCVDQRSQXXIRG-CYBMUJFWSA-N 0 3 393.896 3.952 20 5 GHBDHN C[C@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCOC1 ZINC000120181554 834761515 /nfs/dbraw/zinc/76/15/15/834761515.db2.gz DQLIRYDXGMSWEM-INIZCTEOSA-N 0 3 381.226 3.886 20 5 GHBDHN Nc1c(F)c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000480561436 835059279 /nfs/dbraw/zinc/05/92/79/835059279.db2.gz ZRKAOTIDWIAPHU-UHFFFAOYSA-N 0 3 376.354 3.533 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000175666433 836922909 /nfs/dbraw/zinc/92/29/09/836922909.db2.gz IPKKIZYZSCFLSX-AWEZNQCLSA-N 0 3 393.534 3.727 20 5 GHBDHN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccccc1[N+](=O)[O-] ZINC000180413484 837237356 /nfs/dbraw/zinc/23/73/56/837237356.db2.gz QJBNWZCMPBTHCS-AWEZNQCLSA-N 0 3 375.856 3.775 20 5 GHBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](c1ccccc1)N(C)C ZINC000187274334 837276340 /nfs/dbraw/zinc/27/63/40/837276340.db2.gz AZZWTEWYUXXMSO-PXAZEXFGSA-N 0 3 393.390 3.617 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177350535 837937077 /nfs/dbraw/zinc/93/70/77/837937077.db2.gz LZCVCFMUXDOAPK-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCN(CCCc2ccccc2)CC1 ZINC000101531555 837960246 /nfs/dbraw/zinc/96/02/46/837960246.db2.gz LRKLEJKCBXFFOB-UHFFFAOYSA-N 0 3 385.439 3.515 20 5 GHBDHN COc1ccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(C)C)cc1 ZINC000102693105 838185314 /nfs/dbraw/zinc/18/53/14/838185314.db2.gz AMFQXOAMVYJBEK-HXUWFJFHSA-N 0 3 387.436 3.537 20 5 GHBDHN CCN1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC000275822391 839245784 /nfs/dbraw/zinc/24/57/84/839245784.db2.gz SMYDUQCGXWFYPG-VFNWGFHPSA-N 0 3 377.488 3.896 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2SCC)c([N+](=O)[O-])c1 ZINC000190059949 839524034 /nfs/dbraw/zinc/52/40/34/839524034.db2.gz QAQLFEZEZFICFR-WBVHZDCISA-N 0 3 381.498 3.586 20 5 GHBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000580931672 840457168 /nfs/dbraw/zinc/45/71/68/840457168.db2.gz YXVOQAKEJHLTHL-INIZCTEOSA-N 0 3 391.515 3.922 20 5 GHBDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000121428473 841960516 /nfs/dbraw/zinc/96/05/16/841960516.db2.gz MSHZUHDQSBCJQE-UHFFFAOYSA-N 0 3 379.416 3.601 20 5 GHBDHN CC(C)OCCN1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000474883910 861296238 /nfs/dbraw/zinc/29/62/38/861296238.db2.gz RDIQDPYRCTXTHD-UHFFFAOYSA-N 0 3 391.512 3.512 20 5 GHBDHN CC1(C)C[C@@H](NCc2ccc(Cn3cncn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279102578 842592841 /nfs/dbraw/zinc/59/28/41/842592841.db2.gz OMNYDSGHOMEOMV-HXUWFJFHSA-N 0 3 377.448 3.747 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000127374952 843283991 /nfs/dbraw/zinc/28/39/91/843283991.db2.gz GARBMGQZAYRLOE-UHFFFAOYSA-N 0 3 399.369 3.719 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccco1 ZINC000599834303 861763192 /nfs/dbraw/zinc/76/31/92/861763192.db2.gz FMTLGYCVFHMCJI-CXAGYDPISA-N 0 3 397.435 3.987 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599832737 861761676 /nfs/dbraw/zinc/76/16/76/861761676.db2.gz AHPXNAIGPMQRME-UHFFFAOYSA-N 0 3 385.468 3.873 20 5 GHBDHN C[C@@H]1C[C@]1(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380722 847654422 /nfs/dbraw/zinc/65/44/22/847654422.db2.gz XVHPBXWGOCRHNO-VVFCZOMOSA-N 0 3 376.840 3.513 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050553358 847848946 /nfs/dbraw/zinc/84/89/46/847848946.db2.gz SMWLNBMOXLZZHG-UHFFFAOYSA-N 0 3 396.472 3.710 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)CC1 ZINC000731960739 861980306 /nfs/dbraw/zinc/98/03/06/861980306.db2.gz DKIZXDUJKOAZAM-UHFFFAOYSA-N 0 3 388.855 3.642 20 5 GHBDHN Cc1c([C@H](C)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000162950945 849739065 /nfs/dbraw/zinc/73/90/65/849739065.db2.gz OZDXUDDWQIHQHS-HOTGVXAUSA-N 0 3 397.475 3.972 20 5 GHBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000425239663 849888210 /nfs/dbraw/zinc/88/82/10/849888210.db2.gz NZNJPBQYKVFYBO-HNNXBMFYSA-N 0 3 377.448 3.597 20 5 GHBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494257859 881342894 /nfs/dbraw/zinc/34/28/94/881342894.db2.gz VDDTZMJPNSBRHI-QGZVFWFLSA-N 0 3 397.475 3.778 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000505639191 850279948 /nfs/dbraw/zinc/27/99/48/850279948.db2.gz URXPONHKSCFLID-UHFFFAOYSA-N 0 3 379.526 3.899 20 5 GHBDHN C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC001269734348 850782648 /nfs/dbraw/zinc/78/26/48/850782648.db2.gz BBXJTBJJFQEAKQ-VLIAUNLRSA-N 0 3 389.883 3.988 20 5 GHBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000425437468 851074846 /nfs/dbraw/zinc/07/48/46/851074846.db2.gz YLJRQVXSCITOSN-LSDHHAIUSA-N 0 3 379.258 3.827 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434423256 851111788 /nfs/dbraw/zinc/11/17/88/851111788.db2.gz DFWOJAAVIJOEOK-MRXNPFEDSA-N 0 3 377.510 3.842 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488054088 851125654 /nfs/dbraw/zinc/12/56/54/851125654.db2.gz PRZKQLUSXBLWLX-FUHWJXTLSA-N 0 3 396.491 3.965 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000054647182 851174221 /nfs/dbraw/zinc/17/42/21/851174221.db2.gz XCLVKTLXGWPBPS-SFHVURJKSA-N 0 3 390.509 3.581 20 5 GHBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436134149 851244318 /nfs/dbraw/zinc/24/43/18/851244318.db2.gz PHCFHSOTMLYDHB-BRWVUGGUSA-N 0 3 391.515 3.778 20 5 GHBDHN CC1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2)CC1 ZINC000515979975 852014535 /nfs/dbraw/zinc/01/45/35/852014535.db2.gz KETHFAAOCOPREW-HXUWFJFHSA-N 0 3 385.439 3.937 20 5 GHBDHN Cc1cc(NC[C@H](c2cccc(F)c2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489311552 852209888 /nfs/dbraw/zinc/20/98/88/852209888.db2.gz GYUMFYRTAUJFCS-LJQANCHMSA-N 0 3 395.438 3.636 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000323768126 852719359 /nfs/dbraw/zinc/71/93/59/852719359.db2.gz YJDPAJNCHHOOKB-OAHLLOKOSA-N 0 3 387.867 3.842 20 5 GHBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000427189158 852837085 /nfs/dbraw/zinc/83/70/85/852837085.db2.gz JFFJBSDPQMLDHG-GOSISDBHSA-N 0 3 397.475 3.776 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000516654678 852844789 /nfs/dbraw/zinc/84/47/89/852844789.db2.gz RCDOQTQDPYUPJY-NRFANRHFSA-N 0 3 382.464 3.998 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000586789078 853549379 /nfs/dbraw/zinc/54/93/79/853549379.db2.gz GQEZXBGQKKZDIG-JRGCBEDISA-N 0 3 397.475 3.783 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000171584509 862491979 /nfs/dbraw/zinc/49/19/79/862491979.db2.gz DJASXENOLDAEIV-HNNXBMFYSA-N 0 3 393.484 3.599 20 5 GHBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000571256290 853817041 /nfs/dbraw/zinc/81/70/41/853817041.db2.gz OOZDKTZPVVRBAL-AWEZNQCLSA-N 0 3 391.418 3.567 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000520654500 855932434 /nfs/dbraw/zinc/93/24/34/855932434.db2.gz KSTXICFQOFFGQG-OAHLLOKOSA-N 0 3 387.505 3.957 20 5 GHBDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712446 856217092 /nfs/dbraw/zinc/21/70/92/856217092.db2.gz WZKYMHHTZWMDIN-CQSZACIVSA-N 0 3 385.247 3.773 20 5 GHBDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845444 856342828 /nfs/dbraw/zinc/34/28/28/856342828.db2.gz SROKZZKTDQDOCH-WBMJQRKESA-N 0 3 379.254 3.612 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000172311887 856397263 /nfs/dbraw/zinc/39/72/63/856397263.db2.gz NMBVIADUFXYQOE-KRWDZBQOSA-N 0 3 384.480 3.738 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1 ZINC000593029911 857185504 /nfs/dbraw/zinc/18/55/04/857185504.db2.gz ZMXUGGLKDKELKF-OBZTVWKBSA-N 0 3 390.480 3.533 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000520853111 857300202 /nfs/dbraw/zinc/30/02/02/857300202.db2.gz YTQFFZVLHMBGPG-HXUWFJFHSA-N 0 3 382.464 3.510 20 5 GHBDHN O=C(NCCCN1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342146 857367882 /nfs/dbraw/zinc/36/78/82/857367882.db2.gz WZUXZDGUBXKREQ-UHFFFAOYSA-N 0 3 388.855 3.818 20 5 GHBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174956201 857412899 /nfs/dbraw/zinc/41/28/99/857412899.db2.gz USFBMJVPTDHPBP-HXUWFJFHSA-N 0 3 397.475 3.558 20 5 GHBDHN CS(=O)(=O)C1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000595078022 858412234 /nfs/dbraw/zinc/41/22/34/858412234.db2.gz SBPCWZJNOQNERD-GOSISDBHSA-N 0 3 380.510 3.699 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595256929 858456125 /nfs/dbraw/zinc/45/61/25/858456125.db2.gz FUEGBFWQZDOKHB-KRWDZBQOSA-N 0 3 387.461 3.620 20 5 GHBDHN CNC(=O)CCNCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000522255076 858901421 /nfs/dbraw/zinc/90/14/21/858901421.db2.gz WACZZJIJUBBTEK-UHFFFAOYSA-N 0 3 385.464 3.910 20 5 GHBDHN COc1ccc(C[C@H](C)N[C@H]2CCOc3c(F)cc(F)cc32)c([N+](=O)[O-])c1 ZINC001170328009 881366360 /nfs/dbraw/zinc/36/63/60/881366360.db2.gz TVYMMKBFHJOGIP-GTNSWQLSSA-N 0 3 378.375 3.926 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC3(COC3)C2)cc1 ZINC000597228836 859362397 /nfs/dbraw/zinc/36/23/97/859362397.db2.gz HFJZVXWEFCRLKI-UHFFFAOYSA-N 0 3 390.443 3.670 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000489396721 859369896 /nfs/dbraw/zinc/36/98/96/859369896.db2.gz DMIQEIWKMNIUIH-OXQOHEQNSA-N 0 3 384.480 3.875 20 5 GHBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000611248147 859666587 /nfs/dbraw/zinc/66/65/87/859666587.db2.gz GHHUBILXFUQVNH-SJLPKXTDSA-N 0 3 388.464 3.701 20 5 GHBDHN Cn1cc(CN2CCCO[C@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268316 859673869 /nfs/dbraw/zinc/67/38/69/859673869.db2.gz VIDSERFFMXXZSW-NRFANRHFSA-N 0 3 392.459 3.959 20 5 GHBDHN CC(C)C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000543486032 859904042 /nfs/dbraw/zinc/90/40/42/859904042.db2.gz PXEGMZBFVKDJGZ-MRXNPFEDSA-N 0 3 382.507 3.807 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](c3ccco3)c3ccccc3)CC2)cn1 ZINC000602594231 860135128 /nfs/dbraw/zinc/13/51/28/860135128.db2.gz WHUCXYCPQKFEGT-OAQYLSRUSA-N 0 3 378.432 3.931 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](CO)C3)o2)c(Br)c1 ZINC000154591078 860194504 /nfs/dbraw/zinc/19/45/04/860194504.db2.gz JIQHFXVVAXTNCW-LBPRGKRZSA-N 0 3 395.253 3.822 20 5 GHBDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000484647749 860219350 /nfs/dbraw/zinc/21/93/50/860219350.db2.gz QDJYWDRBFOYXTK-UYAOXDASSA-N 0 3 383.448 3.822 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(-c4ccccn4)c3)C2)nc1 ZINC000093534569 860297396 /nfs/dbraw/zinc/29/73/96/860297396.db2.gz SDZOTBZMOCWWGW-GOSISDBHSA-N 0 3 375.432 3.738 20 5 GHBDHN Cc1ccc([C@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000552247460 860406123 /nfs/dbraw/zinc/40/61/23/860406123.db2.gz PXUVSEACUFQCPR-LEWJYISDSA-N 0 3 393.491 3.619 20 5 GHBDHN Cc1ccc([C@@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000552247462 860409520 /nfs/dbraw/zinc/40/95/20/860409520.db2.gz PXUVSEACUFQCPR-RTWAWAEBSA-N 0 3 393.491 3.619 20 5 GHBDHN COc1ccc(CN2CC[C@H]2CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000599068181 860775743 /nfs/dbraw/zinc/77/57/43/860775743.db2.gz LNKAQDQFSUEZOU-QAPCUYQASA-N 0 3 385.464 3.537 20 5 GHBDHN Cc1cc(N2CCN([C@H](C)c3cccnc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302191901 860915410 /nfs/dbraw/zinc/91/54/10/860915410.db2.gz RINGLAAENQIUBG-MRXNPFEDSA-N 0 3 377.448 3.730 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000557039187 881610462 /nfs/dbraw/zinc/61/04/62/881610462.db2.gz YINXKOOYKZRZFS-LPHOPBHVSA-N 0 3 381.476 3.652 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C[C@@H]3c3cccc(F)c3)o2)c1 ZINC000281628736 863292910 /nfs/dbraw/zinc/29/29/10/863292910.db2.gz HZSVJBRRSHVDLI-RTBURBONSA-N 0 3 397.406 3.739 20 5 GHBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444253236 863761407 /nfs/dbraw/zinc/76/14/07/863761407.db2.gz STXUKWMKERHXTM-GOSISDBHSA-N 0 3 391.515 3.922 20 5 GHBDHN CC[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594039677 863869101 /nfs/dbraw/zinc/86/91/01/863869101.db2.gz BSOROXUVQNHEFF-DZGCQCFKSA-N 0 3 388.411 3.685 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCOc2cccnc2)cc1[N+](=O)[O-] ZINC000734004863 863915077 /nfs/dbraw/zinc/91/50/77/863915077.db2.gz HQOVLFBUIQNSJV-UHFFFAOYSA-N 0 3 378.432 3.926 20 5 GHBDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000494432631 881712806 /nfs/dbraw/zinc/71/28/06/881712806.db2.gz HTKQPKHTYKBWMN-HOTGVXAUSA-N 0 3 395.253 3.866 20 5 GHBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475097201 864184236 /nfs/dbraw/zinc/18/42/36/864184236.db2.gz YEOGWKVMFNBUAQ-XQTSXYSPSA-N 0 3 390.484 3.609 20 5 GHBDHN CCCCN1CCCC[C@@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480517591 864795545 /nfs/dbraw/zinc/79/55/45/864795545.db2.gz WWKBYEDUZYRFRP-QGZVFWFLSA-N 0 3 399.495 3.626 20 5 GHBDHN O=C(CCN1CCC(CC(F)(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000792933522 881824068 /nfs/dbraw/zinc/82/40/68/881824068.db2.gz LNYMRILMIWKAAV-UHFFFAOYSA-N 0 3 377.338 3.727 20 5 GHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000735791551 864996331 /nfs/dbraw/zinc/99/63/31/864996331.db2.gz RMXOTNYUFUCQJG-ZDUSSCGKSA-N 0 3 392.770 3.654 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594197503 865336147 /nfs/dbraw/zinc/33/61/47/865336147.db2.gz OWBYDAMUASLMOL-DLBZAZTESA-N 0 3 377.510 3.844 20 5 GHBDHN Cc1ccccc1[C@H]1C[C@@H](C)N(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000738055564 865488543 /nfs/dbraw/zinc/48/85/43/865488543.db2.gz KQKOJZJCHRGLQB-AEFFLSMTSA-N 0 3 377.448 3.997 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC[C@H]2c2ccccc2C)cc1[N+](=O)[O-] ZINC000475555071 866270296 /nfs/dbraw/zinc/27/02/96/866270296.db2.gz VIICQHYVCLQAIN-SFHVURJKSA-N 0 3 384.432 3.792 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000553025908 866642939 /nfs/dbraw/zinc/64/29/39/866642939.db2.gz SHHGXHUCSHREJP-WMLDXEAASA-N 0 3 394.880 3.815 20 5 GHBDHN CC(C)C[N@@H+]1Cc2cccc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000183387914 866680814 /nfs/dbraw/zinc/68/08/14/866680814.db2.gz ZXWHLQRIMOGUFH-UHFFFAOYSA-N 0 3 389.477 3.508 20 5 GHBDHN CC(C)C[N@H+]1Cc2cccc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000183387914 866680825 /nfs/dbraw/zinc/68/08/25/866680825.db2.gz ZXWHLQRIMOGUFH-UHFFFAOYSA-N 0 3 389.477 3.508 20 5 GHBDHN COc1ccc(CN2CCC[C@H]2Cn2c(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000534472012 866875602 /nfs/dbraw/zinc/87/56/02/866875602.db2.gz DWKCCFTXOXPBCJ-KRWDZBQOSA-N 0 3 380.448 3.926 20 5 GHBDHN CC1CCN([C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])c2cccs2)CC1 ZINC000183614558 866914637 /nfs/dbraw/zinc/91/46/37/866914637.db2.gz FGWWONWSEAEZKE-MRXNPFEDSA-N 0 3 389.481 3.646 20 5 GHBDHN CCOc1ccc([C@@H](C)NCc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000152639329 882049180 /nfs/dbraw/zinc/04/91/80/882049180.db2.gz SMBDAOZVLYQSBA-QGZVFWFLSA-N 0 3 399.491 3.677 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475700887 882081615 /nfs/dbraw/zinc/08/16/15/882081615.db2.gz XPCNFGFLAMMZHG-LPHOPBHVSA-N 0 3 398.459 3.772 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442686132 867911379 /nfs/dbraw/zinc/91/13/79/867911379.db2.gz USDVKSRZBVDNCG-RHSMWYFYSA-N 0 3 397.500 3.959 20 5 GHBDHN COc1ccc(OCCN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000743840917 868439680 /nfs/dbraw/zinc/43/96/80/868439680.db2.gz LYJNMNPLMVCARL-UHFFFAOYSA-N 0 3 389.408 3.801 20 5 GHBDHN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000445951812 869215700 /nfs/dbraw/zinc/21/57/00/869215700.db2.gz FNQUZPMLEOQAKD-NRFANRHFSA-N 0 3 381.476 3.650 20 5 GHBDHN COc1ccc(-c2ccc(CNc3cc(CN(C)C)ccn3)o2)c([N+](=O)[O-])c1 ZINC000539708542 869634452 /nfs/dbraw/zinc/63/44/52/869634452.db2.gz GJLAZUHKWCOCNW-UHFFFAOYSA-N 0 3 382.420 3.932 20 5 GHBDHN CO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000539824513 869831309 /nfs/dbraw/zinc/83/13/09/869831309.db2.gz FNTLHKXRSHAFME-LBPRGKRZSA-N 0 3 381.226 3.838 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000462771528 870068586 /nfs/dbraw/zinc/06/85/86/870068586.db2.gz FPJYLTVLWIHTJW-WMQCIHAUSA-N 0 3 395.503 3.943 20 5 GHBDHN CCOc1ccc2c(c1)CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000441081347 870242349 /nfs/dbraw/zinc/24/23/49/870242349.db2.gz UWZGVVIKDLUQGS-UHFFFAOYSA-N 0 3 383.448 3.689 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@@]2(C)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000538707388 870367096 /nfs/dbraw/zinc/36/70/96/870367096.db2.gz CSSGYEHTOCWMFN-NRFANRHFSA-N 0 3 383.448 3.773 20 5 GHBDHN C[C@H]1CN(C)c2ccccc2CN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538717345 870405943 /nfs/dbraw/zinc/40/59/43/870405943.db2.gz VMZYLBPUJBXOMU-INIZCTEOSA-N 0 3 391.475 3.836 20 5 GHBDHN CC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000540186130 870703863 /nfs/dbraw/zinc/70/38/63/870703863.db2.gz MQSFVRXZVVBQIA-HZEGPAAWSA-N 0 3 379.460 3.793 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540375415 871109030 /nfs/dbraw/zinc/10/90/30/871109030.db2.gz HOIPKBYHQSDDMW-ABAIWWIYSA-N 0 3 385.247 3.992 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1 ZINC001194445221 871723548 /nfs/dbraw/zinc/72/35/48/871723548.db2.gz HFGDGNPEIIFFQV-VQTJNVASSA-N 0 3 398.459 3.855 20 5 GHBDHN CCC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000539327042 871744931 /nfs/dbraw/zinc/74/49/31/871744931.db2.gz RONNRYIVHLVLKD-KXBFYZLASA-N 0 3 380.391 3.744 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cccnc2OC2CCCC2)n1 ZINC000447529730 871762615 /nfs/dbraw/zinc/76/26/15/871762615.db2.gz KTKIKWPKZKZTGG-ZWKOTPCHSA-N 0 3 385.468 3.781 20 5 GHBDHN CSc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462183489 871785192 /nfs/dbraw/zinc/78/51/92/871785192.db2.gz BXSQUIYPAAKNAP-RHSMWYFYSA-N 0 3 385.489 3.567 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000462233744 871907451 /nfs/dbraw/zinc/90/74/51/871907451.db2.gz RBXJEXDQAAXBNZ-SCLBCKFNSA-N 0 3 388.855 3.890 20 5 GHBDHN CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](c2ccccc2)C1 ZINC000183085758 873204947 /nfs/dbraw/zinc/20/49/47/873204947.db2.gz QTCMLTAPFRGGPC-FQEVSTJZSA-N 0 3 392.459 3.781 20 5 GHBDHN CN(c1ccccc1)c1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000769304668 873952886 /nfs/dbraw/zinc/95/28/86/873952886.db2.gz AOIYDBMQOYWVOE-SFHVURJKSA-N 0 3 397.475 3.948 20 5 GHBDHN CC[C@@](C)(NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C)cs1 ZINC000464804467 874518394 /nfs/dbraw/zinc/51/83/94/874518394.db2.gz GLDJKEOUCPFZPV-GOSISDBHSA-N 0 3 390.465 3.573 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000449341628 874730856 /nfs/dbraw/zinc/73/08/56/874730856.db2.gz VDPFXDIBEKCOTO-MEDUHNTESA-N 0 3 397.244 3.751 20 5 GHBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)N(C)Cc1ccccc1 ZINC001199855575 875206469 /nfs/dbraw/zinc/20/64/69/875206469.db2.gz NOYHLBZPRCUYKX-CYBMUJFWSA-N 0 3 376.844 3.890 20 5 GHBDHN Cc1ccc(CNC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001200902962 875411154 /nfs/dbraw/zinc/41/11/54/875411154.db2.gz YTQZQYOJNYVTSH-RHSMWYFYSA-N 0 3 393.484 3.753 20 5 GHBDHN C[C@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450548296 876595121 /nfs/dbraw/zinc/59/51/21/876595121.db2.gz RHEZHZNBOPPDBT-SNVBAGLBSA-N 0 3 394.344 3.564 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000850436042 876919461 /nfs/dbraw/zinc/91/94/61/876919461.db2.gz BVFFYRORCOXXKL-LRDDRELGSA-N 0 3 379.457 3.557 20 5 GHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCC1CCN(Cc2ccco2)CC1 ZINC000772693294 877072254 /nfs/dbraw/zinc/07/22/54/877072254.db2.gz LBVGKAWLDYMCGS-UHFFFAOYSA-N 0 3 397.431 3.667 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(CN2CCN(C)CC2)cc1 ZINC000530326075 877552775 /nfs/dbraw/zinc/55/27/75/877552775.db2.gz GUFQPJQVVIQYLJ-NBVRZTHBSA-N 0 3 380.492 3.858 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(CN2CCN(C)CC2)cc1 ZINC000530326074 877553278 /nfs/dbraw/zinc/55/32/78/877553278.db2.gz GUFQPJQVVIQYLJ-JXAWBTAJSA-N 0 3 380.492 3.858 20 5 GHBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN(Cc2ccccc2)C1 ZINC000451706768 878370933 /nfs/dbraw/zinc/37/09/33/878370933.db2.gz KOIDCRCBHSPEFT-INIZCTEOSA-N 0 3 380.448 3.690 20 5 GHBDHN COc1ccc(OCCNC2(c3ccc(F)cc3F)CCC2)c([N+](=O)[O-])c1 ZINC000538256776 879131601 /nfs/dbraw/zinc/13/16/01/879131601.db2.gz DZNRHBJBGFLUGX-UHFFFAOYSA-N 0 3 378.375 3.929 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(NCC3CCN(Cc4ccncc4)CC3)sc2c1 ZINC000853810803 879295999 /nfs/dbraw/zinc/29/59/99/879295999.db2.gz JHDYOVMJPKDIRE-UHFFFAOYSA-N 0 3 383.477 3.924 20 5 GHBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@@H]2C1 ZINC000493343002 879389024 /nfs/dbraw/zinc/38/90/24/879389024.db2.gz AZUKXSJWAYIVAY-FOIQADDNSA-N 0 3 397.500 3.912 20 5 GHBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000796696013 881012988 /nfs/dbraw/zinc/01/29/88/881012988.db2.gz PIBAERINTWQBEJ-HWPZZCPQSA-N 0 3 383.217 3.881 20 5 GHBDHN COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000792526143 881156200 /nfs/dbraw/zinc/15/62/00/881156200.db2.gz YBLMWQPJTTYJNX-PKOBYXMFSA-N 0 3 395.459 3.668 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)N(CC)CC)c1 ZINC000556970268 881263794 /nfs/dbraw/zinc/26/37/94/881263794.db2.gz UWJURXCRKNRNTM-GOSISDBHSA-N 0 3 391.493 3.868 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000858750512 883325823 /nfs/dbraw/zinc/32/58/23/883325823.db2.gz BJLNIAAJUZNLBW-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000609639800 883468989 /nfs/dbraw/zinc/46/89/89/883468989.db2.gz UZIFJIAMIKJRIG-OAQYLSRUSA-N 0 3 396.491 3.664 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609784703 883678041 /nfs/dbraw/zinc/67/80/41/883678041.db2.gz RHSWVJDTDJQWCO-WMLDXEAASA-N 0 3 387.867 3.742 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000537562678 885422212 /nfs/dbraw/zinc/42/22/12/885422212.db2.gz UTCTXSONRBKCHD-KRWDZBQOSA-N 0 3 393.447 3.638 20 5 GHBDHN Cc1ccc([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000301064572 886198945 /nfs/dbraw/zinc/19/89/45/886198945.db2.gz AAJOXIBQBZTZJC-HXUWFJFHSA-N 0 3 393.447 3.801 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C(C)C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000794601917 887666555 /nfs/dbraw/zinc/66/65/55/887666555.db2.gz GUGHEVHTGCDKAZ-BEVDRBHNSA-N 0 3 385.464 3.578 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000809985800 888041482 /nfs/dbraw/zinc/04/14/82/888041482.db2.gz UUVDQBUDWPYUQD-HZPDHXFCSA-N 0 3 388.295 3.635 20 5 GHBDHN CCCN(CCN(C)C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000496291577 888702082 /nfs/dbraw/zinc/70/20/82/888702082.db2.gz PFTVNHRYUNOKPM-UHFFFAOYSA-N 0 3 393.431 3.506 20 5 GHBDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000130230023 889492710 /nfs/dbraw/zinc/49/27/10/889492710.db2.gz WPRGGMJWSFECHK-WOJBJXKFSA-N 0 3 386.448 3.607 20 5 GHBDHN CN(C)Cc1ccc(C(N)=O)cc1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471374 889655727 /nfs/dbraw/zinc/65/57/27/889655727.db2.gz PMCLECGXZWLYLS-UHFFFAOYSA-N 0 3 397.262 3.674 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](CO)Cc1ccc(F)cc1 ZINC000811475198 889661033 /nfs/dbraw/zinc/66/10/33/889661033.db2.gz CLUIGYHPSJCZHF-LBPRGKRZSA-N 0 3 387.238 3.982 20 5 GHBDHN CN(CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Cc1ccccc1 ZINC000812928669 891134672 /nfs/dbraw/zinc/13/46/72/891134672.db2.gz CXBALCMAOFBCAU-UHFFFAOYSA-N 0 3 382.247 3.763 20 5 GHBDHN CC(COC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N+](=O)[O-] ZINC000813106121 891302341 /nfs/dbraw/zinc/30/23/41/891302341.db2.gz YVEYNSBFJZJYQX-KRWDZBQOSA-N 0 3 399.443 3.522 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000497869283 892588136 /nfs/dbraw/zinc/58/81/36/892588136.db2.gz UXYJYOJDZVTNBW-QGZVFWFLSA-N 0 3 386.452 3.645 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)N(C)C)cc1 ZINC000533827029 893150526 /nfs/dbraw/zinc/15/05/26/893150526.db2.gz JYMNMSYOWJWNCK-OAQYLSRUSA-N 0 3 396.491 3.528 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508777822 893316274 /nfs/dbraw/zinc/31/62/74/893316274.db2.gz JVGUMVXEUHWLAB-SFHVURJKSA-N 0 3 393.365 3.988 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000459662510 894017154 /nfs/dbraw/zinc/01/71/54/894017154.db2.gz AYTWKQKNUGMZLG-CQSZACIVSA-N 0 3 387.436 3.600 20 5 GHBDHN CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000563840359 894247250 /nfs/dbraw/zinc/24/72/50/894247250.db2.gz GRATYPKSHLNDQM-NXHRZFHOSA-N 0 3 386.452 3.670 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000563993830 894414600 /nfs/dbraw/zinc/41/46/00/894414600.db2.gz FIOMQOPBPJHODD-UHFFFAOYSA-N 0 3 384.480 3.509 20 5 GHBDHN Cc1c([C@@H](C)NCCOc2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000537166741 894476851 /nfs/dbraw/zinc/47/68/51/894476851.db2.gz ACOQWOPDQKGKFE-CQSZACIVSA-N 0 3 384.411 3.958 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC=C(c2ccccc2)C1 ZINC000564672341 895169144 /nfs/dbraw/zinc/16/91/44/895169144.db2.gz QNSHQWFNOLUZFP-UHFFFAOYSA-N 0 3 379.416 3.682 20 5 GHBDHN Cc1c(CC(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC001137175653 896743455 /nfs/dbraw/zinc/74/34/55/896743455.db2.gz BKOZQFOOJMDTGY-UHFFFAOYSA-N 0 3 387.524 3.805 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000043126931 898227069 /nfs/dbraw/zinc/22/70/69/898227069.db2.gz GTYUZUNZJURMQF-SFHVURJKSA-N 0 3 384.436 3.562 20 5 GHBDHN CCOc1cc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000136921799 900770377 /nfs/dbraw/zinc/77/03/77/900770377.db2.gz ODYCSTCEFFNDOY-INIZCTEOSA-N 0 3 396.390 3.760 20 5 GHBDHN CSc1ncc(Cl)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845872106 902473368 /nfs/dbraw/zinc/47/33/68/902473368.db2.gz BVUKVMKIJPMXSI-AMIZOPFISA-N 0 3 385.804 3.554 20 5 GHBDHN CC([C@@H](OC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872173 902474043 /nfs/dbraw/zinc/47/40/43/902474043.db2.gz DFPTUCSFAZYXFU-KPZWWZAWSA-N 0 3 386.379 3.738 20 5 GHBDHN CC([C@H](OC(=O)c1cc(Cl)nc(N(C)C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845873725 902475254 /nfs/dbraw/zinc/47/52/54/902475254.db2.gz FPDPKYWWMPRCTC-HWPZZCPQSA-N 0 3 381.791 3.503 20 5 GHBDHN Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873780 902475422 /nfs/dbraw/zinc/47/54/22/902475422.db2.gz VYFJBTHMLZWFLX-QRWLVFNGSA-N 0 3 391.443 3.787 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845881700 902485361 /nfs/dbraw/zinc/48/53/61/902485361.db2.gz NIMBBTCZYIQXSQ-YJXLDUANSA-N 0 3 388.351 3.787 20 5 GHBDHN CN1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)C2)C1 ZINC001186565344 914637455 /nfs/dbraw/zinc/63/74/55/914637455.db2.gz PEYQELAJFTUJIH-QFIPXVFZSA-N 0 3 379.460 3.748 20 5 GHBDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000131081530 903055037 /nfs/dbraw/zinc/05/50/37/903055037.db2.gz LQZYJSSEURRJEZ-GOSISDBHSA-N 0 3 387.436 3.808 20 5 GHBDHN CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1CCN(CC)C1 ZINC001146909852 903636242 /nfs/dbraw/zinc/63/62/42/903636242.db2.gz FFVNGRBUKFNCJT-VIFPVBQESA-N 0 3 378.231 3.597 20 5 GHBDHN C[C@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000509518120 904467846 /nfs/dbraw/zinc/46/78/46/904467846.db2.gz WISNVEJBIKEJBS-JSGCOSHPSA-N 0 3 389.839 3.559 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](n1nc(C(F)(F)F)c3c1CNCC3)CC2 ZINC001172920100 905991122 /nfs/dbraw/zinc/99/11/22/905991122.db2.gz IJRZSOARTILRQA-ZDUSSCGKSA-N 0 3 380.370 3.576 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(CCOc3ccccc3)CC1)CC2 ZINC001172911014 906018132 /nfs/dbraw/zinc/01/81/32/906018132.db2.gz QIVNEAUPBBLYAJ-OAQYLSRUSA-N 0 3 395.503 3.539 20 5 GHBDHN Cc1csc([C@H](C)NC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173012371 906090588 /nfs/dbraw/zinc/09/05/88/906090588.db2.gz RLOCDZZAATTXPP-NSHDSACASA-N 0 3 382.436 3.958 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccc(C(F)(F)F)cn2)c1F ZINC001173179328 906258424 /nfs/dbraw/zinc/25/84/24/906258424.db2.gz OVRQHRQOEQXPHR-JTQLQIEISA-N 0 3 387.333 3.877 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cc(OC3CCC3)ccn2)c1F ZINC001173183309 906264377 /nfs/dbraw/zinc/26/43/77/906264377.db2.gz XQHXVCGVRRHMFX-ZDUSSCGKSA-N 0 3 389.427 3.790 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC3(CCOC3(C)C)CC2)c1F ZINC001173193063 906278236 /nfs/dbraw/zinc/27/82/36/906278236.db2.gz OYNPUDCXODRHMV-CQSZACIVSA-N 0 3 380.460 3.955 20 5 GHBDHN CSc1cccc(C(=O)OCC2CCN(Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000777346698 906550771 /nfs/dbraw/zinc/55/07/71/906550771.db2.gz XUAGZATWYJIGFM-UHFFFAOYSA-N 0 3 390.461 3.979 20 5 GHBDHN CCOc1ccc(Cl)cc1CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001178214163 908943652 /nfs/dbraw/zinc/94/36/52/908943652.db2.gz VZVVOWRYZQVRMV-UHFFFAOYSA-N 0 3 380.828 3.693 20 5 GHBDHN O=C(NCCN1CCCCCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001182331220 911493650 /nfs/dbraw/zinc/49/36/50/911493650.db2.gz PZZXLGWSIXZLNU-UHFFFAOYSA-N 0 3 383.448 3.993 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(Br)cc2F)n1 ZINC000774182780 911502028 /nfs/dbraw/zinc/50/20/28/911502028.db2.gz JEAACBSBPBTDDA-HUUCEWRRSA-N 0 3 397.248 3.966 20 5 GHBDHN COc1cccc([C@H]2[C@@H](NCc3cc(F)ccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000801958348 921687020 /nfs/dbraw/zinc/68/70/20/921687020.db2.gz CXELMWXVDJYIEI-FPOVZHCZSA-N 0 3 385.439 3.810 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000119494058 919633271 /nfs/dbraw/zinc/63/32/71/919633271.db2.gz PWMNBTXECXVIAE-MJGOQNOKSA-N 0 3 381.476 3.788 20 5 GHBDHN O=[N+]([O-])c1c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)nc2sccn21 ZINC000368446750 922679397 /nfs/dbraw/zinc/67/93/97/922679397.db2.gz MHMMLKJMCKXLOK-UHFFFAOYSA-N 0 3 389.403 3.521 20 5 GHBDHN COc1cc([C@@H](C)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000903167262 922825308 /nfs/dbraw/zinc/82/53/08/922825308.db2.gz WNBLIHFXISUVIW-PBHICJAKSA-N 0 3 384.436 3.560 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H](O)c3cccc(F)c3)o2)c([N+](=O)[O-])c1 ZINC000726607079 926761398 /nfs/dbraw/zinc/76/13/98/926761398.db2.gz ONGLQIGNLVEJGK-IBGZPJMESA-N 0 3 386.379 3.826 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCC[C@@H]3Cc3ccccc3)n2)cc1 ZINC000750603005 927743537 /nfs/dbraw/zinc/74/35/37/927743537.db2.gz KKVOYANIEYUDED-HXUWFJFHSA-N 0 3 377.448 3.908 20 5 GHBDHN O=c1c2ccccc2n(Cc2cccc(CN3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000413004815 928093727 /nfs/dbraw/zinc/09/37/27/928093727.db2.gz UNCYUNIPMUNJEC-UHFFFAOYSA-N 0 3 377.444 3.944 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000544519534 929254056 /nfs/dbraw/zinc/25/40/56/929254056.db2.gz VMXCRPFSBQMKPJ-UYSIFFEZSA-N 0 3 389.839 3.730 20 5 GHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC(O)C1 ZINC000546256532 929998564 /nfs/dbraw/zinc/99/85/64/929998564.db2.gz LHZWRMUOFSFBJL-UHFFFAOYSA-N 0 3 381.226 3.572 20 5 GHBDHN COCCCC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000470992999 931082155 /nfs/dbraw/zinc/08/21/55/931082155.db2.gz IWBHCVBOOVYIHH-HXUWFJFHSA-N 0 3 397.475 3.632 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1Oc1ccccc1 ZINC000783680293 931615936 /nfs/dbraw/zinc/61/59/36/931615936.db2.gz WAOYERYGKQSUOV-QRQLOZEOSA-N 0 3 376.840 3.963 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)/C=C(\C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000783754748 931645248 /nfs/dbraw/zinc/64/52/48/931645248.db2.gz CAMOJPAAJXHCDV-WUKNDPDISA-N 0 3 394.475 3.779 20 5 GHBDHN C[C@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000783920376 931716859 /nfs/dbraw/zinc/71/68/59/931716859.db2.gz KNQKCLSNGFAFET-HNNXBMFYSA-N 0 3 385.489 3.960 20 5 GHBDHN C/C(=C/C(=O)N(CCN(C)C)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000783998148 931749242 /nfs/dbraw/zinc/74/92/42/931749242.db2.gz TWLZKTOLHLHPAE-SSZFMOIBSA-N 0 3 385.439 3.728 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000468656034 1015877171 /nfs/dbraw/zinc/87/71/71/1015877171.db2.gz QTJZJQDIYBBRNH-PKFVHUPRSA-N 0 3 391.471 3.745 20 5 GHBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001155147739 1032435626 /nfs/dbraw/zinc/43/56/26/1032435626.db2.gz FBKWBESWQGDIEK-RBUKOAKNSA-N 0 3 394.475 3.516 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576851444 1020078301 /nfs/dbraw/zinc/07/83/01/1020078301.db2.gz TUYPICWYQVWCLU-UAMLPYHUSA-N 0 3 397.475 3.863 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000834903296 1021653507 /nfs/dbraw/zinc/65/35/07/1021653507.db2.gz HHKSZGHSEFQUJE-RDJZCZTQSA-N 0 3 393.484 3.580 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000754361281 1022640475 /nfs/dbraw/zinc/64/04/75/1022640475.db2.gz RONJLENIJYDQNG-UEBLJOKOSA-N 0 3 379.460 3.731 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000755118025 1023082600 /nfs/dbraw/zinc/08/26/00/1023082600.db2.gz GLDYVOSKBDGAHS-ZKTNFTSUSA-N 0 3 389.839 3.730 20 5 GHBDHN O=C(Nc1cccnc1N[C@H]1CNCc2ccsc21)c1ccccc1[N+](=O)[O-] ZINC001163220531 1026093412 /nfs/dbraw/zinc/09/34/12/1026093412.db2.gz RGEGLMPEVRRSHD-HNNXBMFYSA-N 0 3 395.444 3.560 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CNCc3ccsc32)nc1OCc1ccccc1 ZINC001163227166 1026097743 /nfs/dbraw/zinc/09/77/43/1026097743.db2.gz QXRQMBTWPKWATP-OAHLLOKOSA-N 0 3 382.445 3.887 20 5 GHBDHN COCCN(C)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163386022 1026172741 /nfs/dbraw/zinc/17/27/41/1026172741.db2.gz SKEUGBHMCKZKCD-QGZVFWFLSA-N 0 3 378.860 3.683 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000401079350 1029075280 /nfs/dbraw/zinc/07/52/80/1029075280.db2.gz MHVRAPBXRWVDJY-RRFJBIMHSA-N 0 3 381.498 3.782 20 5 GHBDHN CO[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC001461667176 1069668074 /nfs/dbraw/zinc/66/80/74/1069668074.db2.gz ASSMJELTLDACSI-MJHDQNEOSA-N 0 3 381.226 3.884 20 5 GHBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nccc4c5ccccc5ccc43)C[C@H]1N2C ZINC001230203174 1033943104 /nfs/dbraw/zinc/94/31/04/1033943104.db2.gz JFXOAWQTFRXPTL-PEYKTXOXSA-N 0 3 376.456 3.934 20 5 GHBDHN CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1CNCc2ccnn2C1 ZINC001160734723 1035048883 /nfs/dbraw/zinc/04/88/83/1035048883.db2.gz IIEPVBHPDBLVDQ-IBGZPJMESA-N 0 3 384.483 3.568 20 5 GHBDHN COc1c(F)cc(F)cc1CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465328 1040253119 /nfs/dbraw/zinc/25/31/19/1040253119.db2.gz ZYBWVGPXUCRRRU-UHFFFAOYSA-N 0 3 377.391 3.640 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC2(CCN2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254595762 1040369941 /nfs/dbraw/zinc/36/99/41/1040369941.db2.gz ZMCAGPMPSWOCIK-GOSISDBHSA-N 0 3 387.480 3.537 20 5 GHBDHN COc1cc(N2CCC(NC(C)(C)C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001256084327 1041515203 /nfs/dbraw/zinc/51/52/03/1041515203.db2.gz ZPYQKYDWOYWZQP-UHFFFAOYSA-N 0 3 397.475 3.823 20 5 GHBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001303273065 1047334472 /nfs/dbraw/zinc/33/44/72/1047334472.db2.gz PXECTPUSJDKMHZ-UXHICEINSA-N 0 3 394.475 3.516 20 5 GHBDHN CC(C)N1CCN(c2cccc(Nc3nc4ccccn4c3[N+](=O)[O-])c2)CC1 ZINC001307087339 1049065867 /nfs/dbraw/zinc/06/58/67/1049065867.db2.gz SXPAKMKLJRVXDW-UHFFFAOYSA-N 0 3 380.452 3.517 20 5 GHBDHN CCOc1cc(N2CCN(CCCc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC001307734998 1049546228 /nfs/dbraw/zinc/54/62/28/1049546228.db2.gz UOMDUFIPGQEZPG-UHFFFAOYSA-N 0 3 387.455 3.887 20 5 GHBDHN C[C@@H]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001307857041 1049638540 /nfs/dbraw/zinc/63/85/40/1049638540.db2.gz AUPCHBNKCBQBQD-BFYDXBDKSA-N 0 3 377.485 3.966 20 5 GHBDHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC001307914140 1049691615 /nfs/dbraw/zinc/69/16/15/1049691615.db2.gz JQIJWAPKESMWGS-SFHVURJKSA-N 0 3 387.411 3.908 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2ccc3oc4ccccc4c3c2)cc1 ZINC000754244677 1049976470 /nfs/dbraw/zinc/97/64/70/1049976470.db2.gz VPYVBJLXLNSJCI-DENIHFKCSA-N 0 3 392.411 3.678 20 5 GHBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@H](O)[C@H](C)O)cc2[N+](=O)[O-])c1 ZINC001308479612 1049985495 /nfs/dbraw/zinc/98/54/95/1049985495.db2.gz OCAHILQAXBPILO-KXBFYZLASA-N 0 3 388.464 3.650 20 5 GHBDHN Cc1c(CNCCC(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC001308678997 1050056711 /nfs/dbraw/zinc/05/67/11/1050056711.db2.gz PXCUTHGBUPUMPL-UHFFFAOYSA-N 0 3 392.253 3.784 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cc2ccccc2[nH]1 ZINC001334846228 1051990322 /nfs/dbraw/zinc/99/03/22/1051990322.db2.gz YJOXTJYOBOJQTA-UHFFFAOYSA-N 0 3 382.420 3.545 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001312079106 1052560154 /nfs/dbraw/zinc/56/01/54/1052560154.db2.gz OKZLSQYYCITGBH-FQEVSTJZSA-N 0 3 384.480 3.551 20 5 GHBDHN CCC(CC)Nc1ccncc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001450356737 1060579226 /nfs/dbraw/zinc/57/92/26/1060579226.db2.gz LGTOEHARGZHYGG-UHFFFAOYSA-N 0 3 394.834 3.986 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 ZINC001457613823 1063279487 /nfs/dbraw/zinc/27/94/87/1063279487.db2.gz RGJAAXXVMNKBHH-UHFFFAOYSA-N 0 3 379.844 3.662 20 5 GHBDHN CC([C@@H](OC(=O)Cc1cccc(C(F)(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC001348939136 1063425119 /nfs/dbraw/zinc/42/51/19/1063425119.db2.gz GBCBDMKGDJPONY-QLJPJBMISA-N 0 3 386.301 3.732 20 5 GHBDHN CCN1[C@H](C)CN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001458555755 1063889757 /nfs/dbraw/zinc/88/97/57/1063889757.db2.gz IRKHZOSMIRLMDC-TXEJJXNPSA-N 0 3 393.285 3.824 20 5 GHBDHN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCN[C@H](c2ccccc2)C1 ZINC001458632487 1063910712 /nfs/dbraw/zinc/91/07/12/1063910712.db2.gz PFDJJMUNMBMFEO-NRFANRHFSA-N 0 3 387.439 3.977 20 5 GHBDHN CC(C)C1CCC(N2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001465647285 1065768244 /nfs/dbraw/zinc/76/82/44/1065768244.db2.gz ANLCXFQTMVODQV-XGICHPGQSA-N 0 3 385.508 3.967 20 5 GHBDHN CC([C@@H](OC(=O)c1cnc(N(C)C)c(Cl)c1)c1ccccc1F)[N+](=O)[O-] ZINC000847737407 1065995540 /nfs/dbraw/zinc/99/55/40/1065995540.db2.gz PVBBOMMPFMFNTH-MEBBXXQBSA-N 0 3 381.791 3.503 20 5 GHBDHN CN(C)C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001468649856 1067805815 /nfs/dbraw/zinc/80/58/15/1067805815.db2.gz ITPCKHUTRKXZAN-KRWDZBQOSA-N 0 3 393.846 3.739 20 5 GHBDHN CC1(C)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1OCc1ccccc1 ZINC001460122083 1068793513 /nfs/dbraw/zinc/79/35/13/1068793513.db2.gz MLOIJUKUTNSSJZ-RTBURBONSA-N 0 3 380.448 3.945 20 5 GHBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001460224459 1068869853 /nfs/dbraw/zinc/86/98/53/1068869853.db2.gz RAUQTTULWUDGNK-TZIWHRDSSA-N 0 3 379.460 3.752 20 5 GHBDHN CSc1ccc(OC[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001473121978 1073790515 /nfs/dbraw/zinc/79/05/15/1073790515.db2.gz LXNACGLDIGTOLE-SFHVURJKSA-N 0 3 390.505 3.967 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473463124 1073977562 /nfs/dbraw/zinc/97/75/62/1073977562.db2.gz QSYGVOLHLHKVJG-INIZCTEOSA-N 0 3 399.274 3.816 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H]3CN(c4ccccc4)CCO3)C2)cc1 ZINC001473486952 1073985750 /nfs/dbraw/zinc/98/57/50/1073985750.db2.gz VRVDDIKFHYSOMB-DENIHFKCSA-N 0 3 381.476 3.680 20 5 GHBDHN COc1ccc(OCCN[C@@H](C)c2ccc(C(F)(F)F)nc2)c([N+](=O)[O-])c1 ZINC001473771640 1074133851 /nfs/dbraw/zinc/13/38/51/1074133851.db2.gz KSVRSLFFZVKHFE-NSHDSACASA-N 0 3 385.342 3.747 20 5 GHBDHN Cc1ccc(CN[C@@H]2COc3cccc(Br)c3C2)cc1[N+](=O)[O-] ZINC001474245559 1074308420 /nfs/dbraw/zinc/30/84/20/1074308420.db2.gz QRWDPICATMKVMS-ZDUSSCGKSA-N 0 3 377.238 3.759 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000611938035 835083242 /nfs/dbraw/zinc/08/32/42/835083242.db2.gz GSGIYXXBLXUGNP-LJQANCHMSA-N 0 3 396.491 3.659 20 5 GHBDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000127118038 836127182 /nfs/dbraw/zinc/12/71/82/836127182.db2.gz ZLXBFMKGPWILNX-FQEVSTJZSA-N 0 3 396.447 3.534 20 5 GHBDHN C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(C)CC1 ZINC000065126661 844132156 /nfs/dbraw/zinc/13/21/56/844132156.db2.gz OHGPILJFOCVHKD-AWEZNQCLSA-N 0 3 388.493 3.569 20 5 GHBDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000175371896 836301543 /nfs/dbraw/zinc/30/15/43/836301543.db2.gz VFEHOAVMZVKUDK-PVPMGCCUSA-N 0 3 376.478 3.794 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000613188938 837376342 /nfs/dbraw/zinc/37/63/42/837376342.db2.gz PRXAXFHBEWJQKC-HKUYNNGSSA-N 0 3 397.475 3.519 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000513078640 844335470 /nfs/dbraw/zinc/33/54/70/844335470.db2.gz YUDXALIHQGGUEP-TYCQWZJGSA-N 0 3 398.459 3.902 20 5 GHBDHN COc1cccc([C@@H]2[C@H](NCc3ccc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000549115561 838612502 /nfs/dbraw/zinc/61/25/02/838612502.db2.gz JKJKMIAUTRKVRZ-NHCUHLMSSA-N 0 3 385.439 3.810 20 5 GHBDHN O=C1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C2(CCC2)N1 ZINC000572858452 839039509 /nfs/dbraw/zinc/03/95/09/839039509.db2.gz BPSCFWKUZRMIEY-QGZVFWFLSA-N 0 3 389.839 3.799 20 5 GHBDHN COc1cc(C(=O)Nc2cccc(CN(C)C)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000047453797 844455872 /nfs/dbraw/zinc/45/58/72/844455872.db2.gz SZMZEZUDBJYHSP-UHFFFAOYSA-N 0 3 395.362 3.519 20 5 GHBDHN C[C@H](CCO)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000537345440 839898992 /nfs/dbraw/zinc/89/89/92/839898992.db2.gz ZZEQTSZUHYPHDU-CQSZACIVSA-N 0 3 375.494 3.997 20 5 GHBDHN CC(C)Oc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412198277 839959807 /nfs/dbraw/zinc/95/98/07/839959807.db2.gz WKSDXTRZQLGHLQ-IBGZPJMESA-N 0 3 397.475 3.729 20 5 GHBDHN Cc1ccc([C@@H](C)NCCCS(=O)(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000127428776 844502702 /nfs/dbraw/zinc/50/27/02/844502702.db2.gz MZTTYEUQKPLHRG-MRXNPFEDSA-N 0 3 376.478 3.559 20 5 GHBDHN COc1cc(CN[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000584683331 840543355 /nfs/dbraw/zinc/54/33/55/840543355.db2.gz IRYVHMAQPLECLH-VQIMIIECSA-N 0 3 393.846 3.931 20 5 GHBDHN COc1cc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000511763455 840676871 /nfs/dbraw/zinc/67/68/71/840676871.db2.gz SPQJBEWDNLOLRQ-ZIFCJYIRSA-N 0 3 386.423 3.747 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(CN3CCOCC3)cc1)CCCC2 ZINC000417333822 840736627 /nfs/dbraw/zinc/73/66/27/840736627.db2.gz ZFNHFQZQCWSWNE-HSZRJFAPSA-N 0 3 395.503 3.984 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000584742982 840741891 /nfs/dbraw/zinc/74/18/91/840741891.db2.gz CRFIDBFZXKHEHB-OAHLLOKOSA-N 0 3 396.365 3.632 20 5 GHBDHN CCN1CCC[C@@H](CN(C)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000432134040 840803488 /nfs/dbraw/zinc/80/34/88/840803488.db2.gz RHTLTSJYDCWARW-KBXCAEBGSA-N 0 3 391.903 3.891 20 5 GHBDHN C[C@@H]1CN(Cc2cccc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475977 840814408 /nfs/dbraw/zinc/81/44/08/840814408.db2.gz RKXLCIRLLZOIRN-IERDGZPVSA-N 0 3 381.476 3.593 20 5 GHBDHN CC/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001211735821 844582724 /nfs/dbraw/zinc/58/27/24/844582724.db2.gz SLYKOWCETRTGEY-GXDHUFHOSA-N 0 3 377.404 3.636 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3cnnc3C3CC3)o2)c(Cl)c1 ZINC000124312407 840881497 /nfs/dbraw/zinc/88/14/97/840881497.db2.gz ZMLHKPDSGHCIJX-UHFFFAOYSA-N 0 3 387.827 3.767 20 5 GHBDHN CN(C)[C@@H]1CCOc2c(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cccc21 ZINC000432915227 844589997 /nfs/dbraw/zinc/58/99/97/844589997.db2.gz DLISLNRIQFVGMI-QGZVFWFLSA-N 0 3 382.420 3.608 20 5 GHBDHN CN(c1nc2ccccc2cc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000473514033 844627200 /nfs/dbraw/zinc/62/72/00/844627200.db2.gz RLYXEHIWXBQSAA-UHFFFAOYSA-N 0 3 391.475 3.681 20 5 GHBDHN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000473091795 841413915 /nfs/dbraw/zinc/41/39/15/841413915.db2.gz WZIDAMRXBQKPKW-OAQYLSRUSA-N 0 3 396.491 3.609 20 5 GHBDHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000109347995 841873324 /nfs/dbraw/zinc/87/33/24/841873324.db2.gz UXHBVSNBUAANQW-CRAIPNDOSA-N 0 3 385.439 3.823 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CN1Cc1ccccc1 ZINC000157928824 842167363 /nfs/dbraw/zinc/16/73/63/842167363.db2.gz MXRFLNOABZFOGM-WBVHZDCISA-N 0 3 390.443 3.536 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000157964155 842289210 /nfs/dbraw/zinc/28/92/10/842289210.db2.gz JVJUOJUKCNFJDU-CQSZACIVSA-N 0 3 387.484 3.843 20 5 GHBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000600230615 861317687 /nfs/dbraw/zinc/31/76/87/861317687.db2.gz WTTYBXCVZGUHEM-CYBMUJFWSA-N 0 3 385.386 3.750 20 5 GHBDHN CN(C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000549618334 843732989 /nfs/dbraw/zinc/73/29/89/843732989.db2.gz ZNDBDUAUKADJKQ-KRWDZBQOSA-N 0 3 396.274 3.863 20 5 GHBDHN COc1ccc(CN2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)cc1 ZINC000473524331 844996417 /nfs/dbraw/zinc/99/64/17/844996417.db2.gz XDLSIZVENURPAP-UHFFFAOYSA-N 0 3 392.459 3.864 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000511090194 846596513 /nfs/dbraw/zinc/59/65/13/846596513.db2.gz IEIHJBSQCRXYRI-INIZCTEOSA-N 0 3 398.381 3.528 20 5 GHBDHN CN(C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000119984392 846647211 /nfs/dbraw/zinc/64/72/11/846647211.db2.gz CVLZXPSKKXSNQP-FQEVSTJZSA-N 0 3 382.464 3.572 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN[C@H]1CCOc2c(Br)cccc21 ZINC000501576148 847032200 /nfs/dbraw/zinc/03/22/00/847032200.db2.gz RUGBJBPCMPEUKY-AWEZNQCLSA-N 0 3 393.237 3.850 20 5 GHBDHN COc1ccccc1NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183286116 847042579 /nfs/dbraw/zinc/04/25/79/847042579.db2.gz JJFVGQZXQHSQPK-UHFFFAOYSA-N 0 3 383.448 3.763 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000501813611 847194418 /nfs/dbraw/zinc/19/44/18/847194418.db2.gz PFUQXWAZKYCVOM-OAQYLSRUSA-N 0 3 381.476 3.716 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccccc2OCc2ccccc2)cc1 ZINC000731677911 861807728 /nfs/dbraw/zinc/80/77/28/861807728.db2.gz BSRNKQUJTNCFEF-NRFANRHFSA-N 0 3 378.428 3.997 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000731678520 861808184 /nfs/dbraw/zinc/80/81/84/861808184.db2.gz GNUVQHVHUXDLRW-UHFFFAOYSA-N 0 3 383.360 3.932 20 5 GHBDHN O=[N+]([O-])c1cnn(CCN2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000472236878 847901509 /nfs/dbraw/zinc/90/15/09/847901509.db2.gz CKRRFQUNEDJTJA-UHFFFAOYSA-N 0 3 399.278 3.889 20 5 GHBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000162941592 849723126 /nfs/dbraw/zinc/72/31/26/849723126.db2.gz JZLSSXPGUYEEQL-CVEARBPZSA-N 0 3 397.475 3.972 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N(C)Cc1ccccc1 ZINC000504911116 850443280 /nfs/dbraw/zinc/44/32/80/850443280.db2.gz APCGSPNRGMNKHS-KRWDZBQOSA-N 0 3 387.505 3.714 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000439913786 850578981 /nfs/dbraw/zinc/57/89/81/850578981.db2.gz WZFUBRYFARSCNS-APWZRJJASA-N 0 3 384.436 3.560 20 5 GHBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000425437466 851074901 /nfs/dbraw/zinc/07/49/01/851074901.db2.gz YLJRQVXSCITOSN-GJZGRUSLSA-N 0 3 379.258 3.827 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(CCOc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000488741091 851734569 /nfs/dbraw/zinc/73/45/69/851734569.db2.gz ZBYYFHUOHXZWMV-UHFFFAOYSA-N 0 3 385.251 3.814 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000489578636 852450164 /nfs/dbraw/zinc/45/01/64/852450164.db2.gz BJYRCRBLKOUPEN-FUHWJXTLSA-N 0 3 396.491 3.792 20 5 GHBDHN COC(=O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000506280612 852568538 /nfs/dbraw/zinc/56/85/38/852568538.db2.gz JWGAXPCVZSLGIS-LBPRGKRZSA-N 0 3 378.812 3.893 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490017044 852724777 /nfs/dbraw/zinc/72/47/77/852724777.db2.gz XMEOMIKRXMYLIP-LPHOPBHVSA-N 0 3 396.491 3.650 20 5 GHBDHN Cc1cccc(OCCN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000506149429 853605912 /nfs/dbraw/zinc/60/59/12/853605912.db2.gz YACAGUPEEWXECH-UHFFFAOYSA-N 0 3 380.448 3.815 20 5 GHBDHN CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760656949 853659715 /nfs/dbraw/zinc/65/97/15/853659715.db2.gz NZOCFKAYNORTIV-QYFOZDBKSA-N 0 3 379.460 3.731 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000571429500 853877432 /nfs/dbraw/zinc/87/74/32/853877432.db2.gz GJNMGGZLDSSXBE-HDMKZQKVSA-N 0 3 391.537 3.899 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000588771330 854411616 /nfs/dbraw/zinc/41/16/16/854411616.db2.gz XRDGXMZFILLSBQ-KDOFPFPSSA-N 0 3 385.489 3.710 20 5 GHBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000027742662 855072517 /nfs/dbraw/zinc/07/25/17/855072517.db2.gz NPRSGKMZYSFXHB-QGZVFWFLSA-N 0 3 396.491 3.811 20 5 GHBDHN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccccc3)CC2)c(Br)c1 ZINC000301497509 855184300 /nfs/dbraw/zinc/18/43/00/855184300.db2.gz UXFRKONGBDMKBE-UHFFFAOYSA-N 0 3 391.269 3.829 20 5 GHBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000301560412 855245425 /nfs/dbraw/zinc/24/54/25/855245425.db2.gz UCSZTLGTQOOGGN-AWEZNQCLSA-N 0 3 383.221 3.606 20 5 GHBDHN Cc1c([C@H](C)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000765848178 855556504 /nfs/dbraw/zinc/55/65/04/855556504.db2.gz HDSDTRWHLKTNJI-RNODOKPDSA-N 0 3 384.411 3.612 20 5 GHBDHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000485177105 856176915 /nfs/dbraw/zinc/17/69/15/856176915.db2.gz LHQVTBHLNOILSR-CYBMUJFWSA-N 0 3 383.246 3.840 20 5 GHBDHN CN1C(=O)C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000507847287 856556416 /nfs/dbraw/zinc/55/64/16/856556416.db2.gz MFDWQAVGUYSEQV-PYLFFULQSA-N 0 3 385.851 3.823 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000485574189 856774694 /nfs/dbraw/zinc/77/46/94/856774694.db2.gz HFSSQPSAJMHCAK-UHFFFAOYSA-N 0 3 396.369 3.997 20 5 GHBDHN COc1cc(CNCC[C@@H]2CSc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000592373310 856787086 /nfs/dbraw/zinc/78/70/86/856787086.db2.gz YWGXFFBXBPLKLU-CQSZACIVSA-N 0 3 390.461 3.645 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173351916 856877626 /nfs/dbraw/zinc/87/76/26/856877626.db2.gz LCZJGHZUIYPSAN-BXUZGUMPSA-N 0 3 385.247 3.992 20 5 GHBDHN COc1cccc(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592695008 857028184 /nfs/dbraw/zinc/02/81/84/857028184.db2.gz RVHSBXOQXXDUEX-GOSISDBHSA-N 0 3 397.475 3.729 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000554961365 857188095 /nfs/dbraw/zinc/18/80/95/857188095.db2.gz JPWNNNGXMAKXBC-SFHVURJKSA-N 0 3 397.475 3.730 20 5 GHBDHN CC(C)NC(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000059386683 862884938 /nfs/dbraw/zinc/88/49/38/862884938.db2.gz SDUCTWZUAIBMGT-IBGZPJMESA-N 0 3 396.491 3.810 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001128251046 857393113 /nfs/dbraw/zinc/39/31/13/857393113.db2.gz IZHIPXZMNNUVLF-QGFLDLQWSA-N 0 3 381.476 3.881 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H](c1ccccc1)N(C)C ZINC000508908460 858073169 /nfs/dbraw/zinc/07/31/69/858073169.db2.gz SOYTVPSGRBSTBA-IIBYNOLFSA-N 0 3 396.491 3.960 20 5 GHBDHN COc1ccccc1-c1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000595105085 858406587 /nfs/dbraw/zinc/40/65/87/858406587.db2.gz XEFZXHAEPFLPTI-FUHWJXTLSA-N 0 3 397.435 3.728 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(Cc1ccc2c[nH]nc2c1)[C@H]1CC[C@H](O)CC1 ZINC000595560425 858568194 /nfs/dbraw/zinc/56/81/94/858568194.db2.gz CCRHDPYUAOGXAE-WGSAOQKQSA-N 0 3 380.448 3.777 20 5 GHBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC[C@H]2N1 ZINC000597205849 859360004 /nfs/dbraw/zinc/36/00/04/859360004.db2.gz LIHURCIBIGIWPV-YVEFUNNKSA-N 0 3 389.839 3.609 20 5 GHBDHN COc1cc(F)c([C@H](C)NCCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000611395772 859736817 /nfs/dbraw/zinc/73/68/17/859736817.db2.gz LWFXJLSNXROMHJ-ZDUSSCGKSA-N 0 3 378.400 3.871 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC3(CC2)OC(=O)c2ccccc23)c([N+](=O)[O-])c1 ZINC001170347502 881470154 /nfs/dbraw/zinc/47/01/54/881470154.db2.gz RKRQELOZGUSUTI-OAHLLOKOSA-N 0 3 396.443 3.696 20 5 GHBDHN CCc1ccc(C(C)(C)NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC000474362755 859928458 /nfs/dbraw/zinc/92/84/58/859928458.db2.gz PQRBHZFFJMPSDP-UHFFFAOYSA-N 0 3 386.448 3.734 20 5 GHBDHN CCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCN(C)C1 ZINC000597946636 859952131 /nfs/dbraw/zinc/95/21/31/859952131.db2.gz QZHSWAKQTZYLQH-KRWDZBQOSA-N 0 3 385.489 3.912 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)N(C)C)cc1 ZINC000727770845 860218829 /nfs/dbraw/zinc/21/88/29/860218829.db2.gz JYWPCADZIRVREV-QGZVFWFLSA-N 0 3 376.844 3.981 20 5 GHBDHN C[C@@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552334952 860511526 /nfs/dbraw/zinc/51/15/26/860511526.db2.gz DFRFPVKYSBBWPX-OLZOCXBDSA-N 0 3 394.518 3.940 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000330652760 860525241 /nfs/dbraw/zinc/52/52/41/860525241.db2.gz IXQBANRMUYPVEG-MRXNPFEDSA-N 0 3 377.510 3.796 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@H](O)[C@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000598986489 860700646 /nfs/dbraw/zinc/70/06/46/860700646.db2.gz BCGDKSRBYFTMEV-QFBILLFUSA-N 0 3 392.839 3.670 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@@H](O)[C@H]3CCCO3)cc2[N+](=O)[O-])cc1 ZINC000598988365 860703996 /nfs/dbraw/zinc/70/39/96/860703996.db2.gz QILUFWDVIRAMKT-RTBURBONSA-N 0 3 388.489 3.684 20 5 GHBDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000599020853 860731419 /nfs/dbraw/zinc/73/14/19/860731419.db2.gz QBCONWUYHJWNOO-DOTOQJQBSA-N 0 3 386.433 3.635 20 5 GHBDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000544369153 860736449 /nfs/dbraw/zinc/73/64/49/860736449.db2.gz ZKNWOIWIABLIDE-ZDUSSCGKSA-N 0 3 376.409 3.637 20 5 GHBDHN COc1ccc([C@H](C)N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000599072166 860777901 /nfs/dbraw/zinc/77/79/01/860777901.db2.gz DDNQFOUUJKPFOR-KBPBESRZSA-N 0 3 387.436 3.680 20 5 GHBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000603607883 860899107 /nfs/dbraw/zinc/89/91/07/860899107.db2.gz PKENLRBGUXZLDV-MRXNPFEDSA-N 0 3 399.447 3.610 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000481281550 860921405 /nfs/dbraw/zinc/92/14/05/860921405.db2.gz HJQBZYUXQQPZQM-LJQANCHMSA-N 0 3 386.452 3.806 20 5 GHBDHN O=[N+]([O-])c1cc(Br)cnc1NC1CCN(Cc2ccccc2)CC1 ZINC000096566790 860984611 /nfs/dbraw/zinc/98/46/11/860984611.db2.gz CWDXLRZLNUVUHR-UHFFFAOYSA-N 0 3 391.269 3.829 20 5 GHBDHN CCOc1ccc2c(c1)[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000186693673 861095889 /nfs/dbraw/zinc/09/58/89/861095889.db2.gz ZDZOZZDKXDRVLE-AUUYWEPGSA-N 0 3 399.447 3.824 20 5 GHBDHN CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000522781276 863279193 /nfs/dbraw/zinc/27/91/93/863279193.db2.gz JAIBCFUTTLPWHC-APWZRJJASA-N 0 3 396.491 3.934 20 5 GHBDHN Cc1c(CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480077397 863975642 /nfs/dbraw/zinc/97/56/42/863975642.db2.gz ZTUIOZWZLWBWLK-QGZVFWFLSA-N 0 3 396.491 3.709 20 5 GHBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 ZINC000184369885 864392222 /nfs/dbraw/zinc/39/22/22/864392222.db2.gz CRQDOYAVPLXTGZ-ZDUSSCGKSA-N 0 3 390.486 3.934 20 5 GHBDHN COc1cc(CN[C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000186334202 864861180 /nfs/dbraw/zinc/86/11/80/864861180.db2.gz AINSUSDQHLFFDM-ZFWWWQNUSA-N 0 3 388.411 3.888 20 5 GHBDHN CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000555315206 865891928 /nfs/dbraw/zinc/89/19/28/865891928.db2.gz WLFXCCQRUYOHEP-UWJYYQICSA-N 0 3 381.476 3.821 20 5 GHBDHN COC(=O)COc1ccc(CN(C)[C@@H](C)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000475558616 866277831 /nfs/dbraw/zinc/27/78/31/866277831.db2.gz HBUCKPDUVOTZBL-INIZCTEOSA-N 0 3 386.448 3.956 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc1 ZINC000478751958 866590943 /nfs/dbraw/zinc/59/09/43/866590943.db2.gz XXOOZLPMCHBSNG-UHFFFAOYSA-N 0 3 390.403 3.559 20 5 GHBDHN C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485024 866963245 /nfs/dbraw/zinc/96/32/45/866963245.db2.gz HLIQVSYAIUBEIS-OCCSQVGLSA-N 0 3 378.379 3.839 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOc3ccc4ccccc4c3)C2)nc1 ZINC000440504351 867022725 /nfs/dbraw/zinc/02/27/25/867022725.db2.gz MCILXABDVMIGTJ-SFHVURJKSA-N 0 3 378.432 3.708 20 5 GHBDHN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000248787355 867384251 /nfs/dbraw/zinc/38/42/51/867384251.db2.gz WRDZNHCTILEOQW-YRNRMSPPSA-N 0 3 383.448 3.679 20 5 GHBDHN C[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000523705100 867782389 /nfs/dbraw/zinc/78/23/89/867782389.db2.gz AIFIBUJVDMFFOG-OXQOHEQNSA-N 0 3 382.464 3.620 20 5 GHBDHN COc1cccc([C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])N2CCCC2)c1 ZINC000743078981 867803027 /nfs/dbraw/zinc/80/30/27/867803027.db2.gz NKTXCTVAEUNCTM-QGZVFWFLSA-N 0 3 381.436 3.500 20 5 GHBDHN Cc1ccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000553694870 867918353 /nfs/dbraw/zinc/91/83/53/867918353.db2.gz OAMVWPMEKWSJNO-HXUWFJFHSA-N 0 3 385.464 3.723 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000539676416 869574717 /nfs/dbraw/zinc/57/47/17/869574717.db2.gz IDGDZRNVGGXBEI-INIZCTEOSA-N 0 3 377.510 3.797 20 5 GHBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000525267299 870272913 /nfs/dbraw/zinc/27/29/13/870272913.db2.gz MCSLBLRTDYTMOH-HNNXBMFYSA-N 0 3 387.402 3.608 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540375425 871108796 /nfs/dbraw/zinc/10/87/96/871108796.db2.gz HOIPKBYHQSDDMW-XHDPSFHLSA-N 0 3 385.247 3.992 20 5 GHBDHN C[C@H](c1ccc(Br)cc1)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169056377 871137344 /nfs/dbraw/zinc/13/73/44/871137344.db2.gz SLUCERKQWRLLSL-IIDMSEBBSA-N 0 3 396.329 3.573 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000539091315 871292634 /nfs/dbraw/zinc/29/26/34/871292634.db2.gz HWEVVCLQVBHAAI-KRWDZBQOSA-N 0 3 377.444 3.964 20 5 GHBDHN Cc1ccc(CNCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000069833356 871597968 /nfs/dbraw/zinc/59/79/68/871597968.db2.gz ALYLGPWCBNRUCV-QZTJIDSGSA-N 0 3 383.492 3.802 20 5 GHBDHN C[C@H](N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001194444242 871723434 /nfs/dbraw/zinc/72/34/34/871723434.db2.gz AGECRHMQUREMQI-BEVDRBHNSA-N 0 3 397.475 3.895 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](Cc1ccccc1)[C@H](O)C(F)F)CCC2 ZINC000447526373 871756987 /nfs/dbraw/zinc/75/69/87/871756987.db2.gz CZQKAEOBLVPODA-QRVBRYPASA-N 0 3 376.403 3.799 20 5 GHBDHN O=C(N[C@H]1CCN(C2CCCCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000618665132 871814269 /nfs/dbraw/zinc/81/42/69/871814269.db2.gz GVIOPZRQQNZXGE-KRWDZBQOSA-N 0 3 389.499 3.818 20 5 GHBDHN O=C1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000447583815 871883438 /nfs/dbraw/zinc/88/34/38/871883438.db2.gz COCXAJKNKMDFRM-MVWVFHAYSA-N 0 3 391.471 3.719 20 5 GHBDHN COc1ccc(OC(F)F)c(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447578792 871924084 /nfs/dbraw/zinc/92/40/84/871924084.db2.gz HKFMSPWHUBXHOI-GJZGRUSLSA-N 0 3 396.394 3.675 20 5 GHBDHN COCC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOCC1 ZINC000552312997 872401165 /nfs/dbraw/zinc/40/11/65/872401165.db2.gz GVPMAVBQWBUMOK-UHFFFAOYSA-N 0 3 380.828 3.793 20 5 GHBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC001195567399 872505721 /nfs/dbraw/zinc/50/57/21/872505721.db2.gz LWCSIMKHIVXYIX-UHFFFAOYSA-N 0 3 381.411 3.899 20 5 GHBDHN CO[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000769445150 874050832 /nfs/dbraw/zinc/05/08/32/874050832.db2.gz FNTLHKXRSHAFME-GFCCVEGCSA-N 0 3 381.226 3.838 20 5 GHBDHN CN(CCc1ccc2c(c1)OCO2)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001197837466 874064870 /nfs/dbraw/zinc/06/48/70/874064870.db2.gz WTTVCFFAALXEHD-UHFFFAOYSA-N 0 3 393.237 3.761 20 5 GHBDHN CC(C)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)COc1ccccc1 ZINC000770037465 874417001 /nfs/dbraw/zinc/41/70/01/874417001.db2.gz AJINHVBQUWETMD-MRXNPFEDSA-N 0 3 378.856 3.899 20 5 GHBDHN CSCC[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000449069089 874445168 /nfs/dbraw/zinc/44/51/68/874445168.db2.gz VWJCAHSISRPUJM-HOCLYGCPSA-N 0 3 385.493 3.653 20 5 GHBDHN CC[C@](C)(NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C)cs1 ZINC000464804469 874518523 /nfs/dbraw/zinc/51/85/23/874518523.db2.gz GLDJKEOUCPFZPV-SFHVURJKSA-N 0 3 390.465 3.573 20 5 GHBDHN COc1ccc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000542034618 874820293 /nfs/dbraw/zinc/82/02/93/874820293.db2.gz JFNWBFWMONDHCF-INIZCTEOSA-N 0 3 398.463 3.732 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000542208913 875183320 /nfs/dbraw/zinc/18/33/20/875183320.db2.gz HFAGVBSIDYGKBR-FQEVSTJZSA-N 0 3 388.489 3.890 20 5 GHBDHN CC(C)(C)OC(=O)NCCc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC001199940901 875253074 /nfs/dbraw/zinc/25/30/74/875253074.db2.gz HAYWACOMMKQVNS-UHFFFAOYSA-N 0 3 385.464 3.952 20 5 GHBDHN COc1ccc(CN2CC[C@H]2CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000858238185 882967701 /nfs/dbraw/zinc/96/77/01/882967701.db2.gz QWXTXPSLZDAXAQ-KRWDZBQOSA-N 0 3 375.856 3.621 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000450784422 876886545 /nfs/dbraw/zinc/88/65/45/876886545.db2.gz JARLRKDJBFZNCI-UHFFFAOYSA-N 0 3 382.464 3.938 20 5 GHBDHN C[C@@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000787110867 877152726 /nfs/dbraw/zinc/15/27/26/877152726.db2.gz AXIUTFNQJGOFDQ-KRWDZBQOSA-N 0 3 397.475 3.778 20 5 GHBDHN CC[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000610039072 877321864 /nfs/dbraw/zinc/32/18/64/877321864.db2.gz KEAGGYZBYJPMQA-HXUWFJFHSA-N 0 3 395.503 3.826 20 5 GHBDHN C/C=C\c1ccc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000451107463 877365962 /nfs/dbraw/zinc/36/59/62/877365962.db2.gz RSWDZERGTZLFLH-WIXIHDJSSA-N 0 3 386.448 3.727 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000551556996 877429522 /nfs/dbraw/zinc/42/95/22/877429522.db2.gz AWNYJYKLBXEQDA-KXBFYZLASA-N 0 3 387.480 3.956 20 5 GHBDHN O=C([C@@H](Cc1ccccc1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000192790023 877954782 /nfs/dbraw/zinc/95/47/82/877954782.db2.gz YBLMHJKMLYDPIB-FGZHOGPDSA-N 0 3 393.487 3.796 20 5 GHBDHN C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086377 878168743 /nfs/dbraw/zinc/16/87/43/878168743.db2.gz SBXIBKCTXIMORQ-PXNSSMCTSA-N 0 3 389.496 3.860 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000776582263 878199058 /nfs/dbraw/zinc/19/90/58/878199058.db2.gz NLVIBLOJWFPXAL-WOJBJXKFSA-N 0 3 390.867 3.727 20 5 GHBDHN O=C(N1CCC[C@@H](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1)C(F)(F)F ZINC000852602639 878458410 /nfs/dbraw/zinc/45/84/10/878458410.db2.gz CJGZDYMSWVZTHG-OAHLLOKOSA-N 0 3 399.413 3.608 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC2(c3ccc(Br)cc3)CC2)cc1 ZINC000776605832 878488837 /nfs/dbraw/zinc/48/88/37/878488837.db2.gz PGOVOAABVFLJTO-INIZCTEOSA-N 0 3 377.238 3.670 20 5 GHBDHN CCOc1ccc([C@H](C)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453289584 880730830 /nfs/dbraw/zinc/73/08/30/880730830.db2.gz TYNDQIDKBNPHBX-GJZGRUSLSA-N 0 3 377.485 3.668 20 5 GHBDHN CCC[C@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531953405 880815319 /nfs/dbraw/zinc/81/53/19/880815319.db2.gz MSIASBVBLNITSH-NRFANRHFSA-N 0 3 397.475 3.698 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000509504225 883788189 /nfs/dbraw/zinc/78/81/89/883788189.db2.gz RJDWYHDNNAFBPN-FXAWDEMLSA-N 0 3 396.491 3.739 20 5 GHBDHN CC1(C(=O)OCCc2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000805896958 884183773 /nfs/dbraw/zinc/18/37/73/884183773.db2.gz HDFRPOCKRMPIBV-UHFFFAOYSA-N 0 3 382.460 3.983 20 5 GHBDHN O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cccc(CN2CCCC2)c1 ZINC000805923234 884222310 /nfs/dbraw/zinc/22/23/10/884222310.db2.gz HFBWDORVLXOOBA-OAQYLSRUSA-N 0 3 395.459 3.626 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000428548758 884551806 /nfs/dbraw/zinc/55/18/06/884551806.db2.gz PAVLUYJHWJQFBF-APWZRJJASA-N 0 3 396.365 3.591 20 5 GHBDHN CC([C@H](OC(=O)c1cccc(OC(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000860855163 885055204 /nfs/dbraw/zinc/05/52/04/885055204.db2.gz SZPPEGZWWFOWQC-PXAZEXFGSA-N 0 3 376.384 3.961 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000807683238 885633300 /nfs/dbraw/zinc/63/33/00/885633300.db2.gz XOSVGTAMCZSANQ-SWLSCSKDSA-N 0 3 381.379 3.525 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000532494845 885863720 /nfs/dbraw/zinc/86/37/20/885863720.db2.gz MYTLVWSQHFUGJJ-HNNXBMFYSA-N 0 3 383.448 3.564 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000609223720 887144847 /nfs/dbraw/zinc/14/48/47/887144847.db2.gz MLHCMELTGYJCOC-UHFFFAOYSA-N 0 3 384.480 3.757 20 5 GHBDHN CCOc1ccc([C@H](C)NCCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000153265478 887219199 /nfs/dbraw/zinc/21/91/99/887219199.db2.gz JNWJLVFPAIEVJT-HNNXBMFYSA-N 0 3 392.477 3.508 20 5 GHBDHN COc1ccc(C[C@@H](C)CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000153261675 887227315 /nfs/dbraw/zinc/22/73/15/887227315.db2.gz LHLOFYWVRGAWIB-OAHLLOKOSA-N 0 3 386.448 3.781 20 5 GHBDHN CC(C)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC000794613209 887677876 /nfs/dbraw/zinc/67/78/76/887677876.db2.gz PBRBRWXZMVOHEX-OALUTQOASA-N 0 3 391.855 3.535 20 5 GHBDHN CN(C)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC000809913433 887935774 /nfs/dbraw/zinc/93/57/74/887935774.db2.gz JVPAKDIZNGERIH-AWEZNQCLSA-N 0 3 380.807 3.812 20 5 GHBDHN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)N1CCCCC1 ZINC000917090547 891089279 /nfs/dbraw/zinc/08/92/79/891089279.db2.gz XMUZJZNUDSSOKM-KRWDZBQOSA-N 0 3 397.435 3.779 20 5 GHBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000917085500 891105627 /nfs/dbraw/zinc/10/56/27/891105627.db2.gz OWVPUMXKQDURML-UHFFFAOYSA-N 0 3 399.451 3.517 20 5 GHBDHN Cc1ccc(C(=O)N2CCC(N[C@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000872032382 891126037 /nfs/dbraw/zinc/12/60/37/891126037.db2.gz RZFAPAICWIWLPL-OAHLLOKOSA-N 0 3 385.439 3.998 20 5 GHBDHN CC(COC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)[N+](=O)[O-] ZINC000813100232 891272352 /nfs/dbraw/zinc/27/23/52/891272352.db2.gz PJFCSPFGNHSAPP-MLGOLLRUSA-N 0 3 394.221 3.778 20 5 GHBDHN Cc1ccc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3cnn(C(C)C)c3n2)cc1 ZINC000813104030 891274913 /nfs/dbraw/zinc/27/49/13/891274913.db2.gz WLNJHLIBJOUFJR-AWEZNQCLSA-N 0 3 382.420 3.810 20 5 GHBDHN CC(COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21)[N+](=O)[O-] ZINC000813110890 891303424 /nfs/dbraw/zinc/30/34/24/891303424.db2.gz LMHAKULFQAKWQX-SNVBAGLBSA-N 0 3 385.351 3.728 20 5 GHBDHN CC(COC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[N+](=O)[O-] ZINC000813110107 891305447 /nfs/dbraw/zinc/30/54/47/891305447.db2.gz ZJSPKSCHJIBGAW-MNOVXSKESA-N 0 3 384.841 3.825 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000813823147 891996255 /nfs/dbraw/zinc/99/62/55/891996255.db2.gz FWAZWRNGAONLOM-WBEPFGQESA-N 0 3 379.460 3.777 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC000814678856 893063557 /nfs/dbraw/zinc/06/35/57/893063557.db2.gz YKEYSHYAZZMRRC-IYBDPMFKSA-N 0 3 375.469 3.674 20 5 GHBDHN CCOc1cccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000428679821 893217746 /nfs/dbraw/zinc/21/77/46/893217746.db2.gz KFLYRMXEUITTID-SFHVURJKSA-N 0 3 385.464 3.697 20 5 GHBDHN Cc1c(Br)cc(C(=O)Nc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000509700896 893308142 /nfs/dbraw/zinc/30/81/42/893308142.db2.gz VCQIKDZPOWYADT-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN COc1cc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000564498419 895038027 /nfs/dbraw/zinc/03/80/27/895038027.db2.gz SBGTZIOYQSHGPU-SFHVURJKSA-N 0 3 399.491 3.701 20 5 GHBDHN COc1cc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000564498419 895038044 /nfs/dbraw/zinc/03/80/44/895038044.db2.gz SBGTZIOYQSHGPU-SFHVURJKSA-N 0 3 399.491 3.701 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000565795094 895885781 /nfs/dbraw/zinc/88/57/81/895885781.db2.gz JAOOQVDFQBXNCO-UZLBHIALSA-N 0 3 381.476 3.652 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(OC)nc1OC ZINC000567038470 896821710 /nfs/dbraw/zinc/82/17/10/896821710.db2.gz PCGJHFRXJPZRSS-CQSZACIVSA-N 0 3 377.466 3.668 20 5 GHBDHN COCOc1ccc(OC)cc1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820545 899827290 /nfs/dbraw/zinc/82/72/90/899827290.db2.gz HMMFXDURXZBJFY-KRWDZBQOSA-N 0 3 386.448 3.966 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000574348026 900854239 /nfs/dbraw/zinc/85/42/39/900854239.db2.gz PLPBKNVWBUTXSF-MPGHIAIKSA-N 0 3 391.537 3.898 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826497724 901301992 /nfs/dbraw/zinc/30/19/92/901301992.db2.gz RROQSKSWDNLOGY-QGZVFWFLSA-N 0 3 398.854 3.638 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826497724 901302010 /nfs/dbraw/zinc/30/20/10/901302010.db2.gz RROQSKSWDNLOGY-QGZVFWFLSA-N 0 3 398.854 3.638 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000576243366 901859386 /nfs/dbraw/zinc/85/93/86/901859386.db2.gz DUQNKIUYHFMORE-HNNXBMFYSA-N 0 3 399.274 3.816 20 5 GHBDHN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000576648258 902156634 /nfs/dbraw/zinc/15/66/34/902156634.db2.gz MSBSOQBXSJNSPA-LJQANCHMSA-N 0 3 383.448 3.591 20 5 GHBDHN COc1ccc(OCCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872812 902472243 /nfs/dbraw/zinc/47/22/43/902472243.db2.gz OYLRCKVWCVOOCX-DJJJIMSYSA-N 0 3 377.368 3.553 20 5 GHBDHN COc1cc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc(OC)c1 ZINC000845873789 902475290 /nfs/dbraw/zinc/47/52/90/902475290.db2.gz WCVOCDMHDLRACE-RNODOKPDSA-N 0 3 391.395 3.725 20 5 GHBDHN CC(C)C(=O)Nc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874436 902476969 /nfs/dbraw/zinc/47/69/69/902476969.db2.gz IIYCTAALMWPTAN-UGSOOPFHSA-N 0 3 388.395 3.984 20 5 GHBDHN COc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)c1OC ZINC000845878600 902482577 /nfs/dbraw/zinc/48/25/77/902482577.db2.gz HLSMQXNNNWAPKC-KPZWWZAWSA-N 0 3 377.368 3.715 20 5 GHBDHN CC([C@H](OC(=O)C[C@@H](C)NC(=O)C1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845880164 902483804 /nfs/dbraw/zinc/48/38/04/902483804.db2.gz YXNNPZLFYPPXKP-LPMFXHHGSA-N 0 3 394.443 3.550 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000775037546 914667236 /nfs/dbraw/zinc/66/72/36/914667236.db2.gz AFIRLCSLEDLTEE-GOEBONIOSA-N 0 3 393.484 3.871 20 5 GHBDHN C[C@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000509518119 904467692 /nfs/dbraw/zinc/46/76/92/904467692.db2.gz WISNVEJBIKEJBS-GXTWGEPZSA-N 0 3 389.839 3.559 20 5 GHBDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174860377 905375903 /nfs/dbraw/zinc/37/59/03/905375903.db2.gz WWGAEVAHSYXICC-MRXNPFEDSA-N 0 3 382.468 3.602 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](CO)c2cccc(Cl)c2)c1F ZINC001173185639 906266633 /nfs/dbraw/zinc/26/66/33/906266633.db2.gz BRYSMJRCVSCZCS-ABAIWWIYSA-N 0 3 382.819 3.650 20 5 GHBDHN CCOC(=O)C[C@@H]1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC001173191258 906272489 /nfs/dbraw/zinc/27/24/89/906272489.db2.gz BZYGLBHKLZPDLU-KFWWJZLASA-N 0 3 396.459 3.585 20 5 GHBDHN CC(C)N(C)Cc1cnc2n1CCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225349 906306917 /nfs/dbraw/zinc/30/69/17/906306917.db2.gz JJCWZJXUPXFFDW-IRXDYDNUSA-N 0 3 385.512 3.639 20 5 GHBDHN Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190789548 906313995 /nfs/dbraw/zinc/31/39/95/906313995.db2.gz ANTSFHMOPYZYIB-UHFFFAOYSA-N 0 3 388.493 3.747 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173231745 906316618 /nfs/dbraw/zinc/31/66/18/906316618.db2.gz CWSWCIJFJDFGNO-VYDXJSESSA-N 0 3 377.485 3.761 20 5 GHBDHN Cc1cc2cc3cc(C)c(Nc4ccc(S(N)(=O)=O)cc4)cc3nc2cc1N ZINC001174240232 906930608 /nfs/dbraw/zinc/93/06/08/906930608.db2.gz KGPAGVSETQRCKR-UHFFFAOYSA-N 0 3 392.484 3.978 20 5 GHBDHN CN1CCN(c2ccc(Nc3ccc4cc5ccc(N)cc5nc4c3)cn2)CC1 ZINC001176660282 908224735 /nfs/dbraw/zinc/22/47/35/908224735.db2.gz ORWATWJJXUUULV-UHFFFAOYSA-N 0 3 384.487 3.861 20 5 GHBDHN O=C1CCCN1Cc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192664395 908812622 /nfs/dbraw/zinc/81/26/22/908812622.db2.gz ALGVMKSYWTYYJG-NRFANRHFSA-N 0 3 379.460 3.884 20 5 GHBDHN C[C@@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192746589 908820288 /nfs/dbraw/zinc/82/02/88/908820288.db2.gz MHVSKDCBSGOUFE-GJYPPUQNSA-N 0 3 383.448 3.679 20 5 GHBDHN CC(C)(NC[C@H](O)c1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000795237019 909409457 /nfs/dbraw/zinc/40/94/57/909409457.db2.gz QMJQEQPDDHAJTE-INIZCTEOSA-N 0 3 379.254 3.916 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271678390 911011342 /nfs/dbraw/zinc/01/13/42/911011342.db2.gz BJGOUODBCUPEFU-QGZVFWFLSA-N 0 3 396.491 3.962 20 5 GHBDHN CCOC(=O)[C@H]1CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc21 ZINC000283354700 911476362 /nfs/dbraw/zinc/47/63/62/911476362.db2.gz MSGQFGSZOHPOON-ZWKOTPCHSA-N 0 3 384.432 3.875 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001186923439 914904630 /nfs/dbraw/zinc/90/46/30/914904630.db2.gz VVIPIJJGOBLMAM-UXHICEINSA-N 0 3 387.867 3.728 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000116103244 919497172 /nfs/dbraw/zinc/49/71/72/919497172.db2.gz SATPBHNOADHDTJ-LJQANCHMSA-N 0 3 389.427 3.555 20 5 GHBDHN COc1ccc(NC(=O)CCN(C)[C@@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000411169318 926162821 /nfs/dbraw/zinc/16/28/21/926162821.db2.gz CWSKRMKSEYFSRZ-ZDUSSCGKSA-N 0 3 375.400 3.764 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000725791429 926439008 /nfs/dbraw/zinc/43/90/08/926439008.db2.gz UOPQHDULOYMDBB-KWEPMOPPSA-N 0 3 399.447 3.931 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC(N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000725800295 926445375 /nfs/dbraw/zinc/44/53/75/926445375.db2.gz HXHOBHCVBBHNLJ-UHFFFAOYSA-N 0 3 375.469 3.959 20 5 GHBDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000725811414 926452310 /nfs/dbraw/zinc/45/23/10/926452310.db2.gz GLJYIXLYPHQJMP-QGZVFWFLSA-N 0 3 393.484 3.695 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000749675420 927230688 /nfs/dbraw/zinc/23/06/88/927230688.db2.gz ZCHUFKOKCBFUHD-HKUYNNGSSA-N 0 3 376.840 3.825 20 5 GHBDHN CN(C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000750282383 927533270 /nfs/dbraw/zinc/53/32/70/927533270.db2.gz FXYJNNBNDRKVEF-MRXNPFEDSA-N 0 3 393.484 3.553 20 5 GHBDHN Cn1cc(CN2CCC(F)(c3cccnc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375300479 928138886 /nfs/dbraw/zinc/13/88/86/928138886.db2.gz BALPGHHOLFGGBM-UHFFFAOYSA-N 0 3 395.438 3.851 20 5 GHBDHN CC(C)(C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000544071670 928766758 /nfs/dbraw/zinc/76/67/58/928766758.db2.gz UFRALWPWHZOYGK-GOSISDBHSA-N 0 3 376.478 3.746 20 5 GHBDHN C/C(=C/C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752642448 928945579 /nfs/dbraw/zinc/94/55/79/928945579.db2.gz YFAZJULPGKNOLJ-FUYCXPICSA-N 0 3 394.475 3.735 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000467443892 929078330 /nfs/dbraw/zinc/07/83/30/929078330.db2.gz UCIKHOQFXHGBLO-FCEWJHQRSA-N 0 3 397.475 3.834 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@H](c2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000544399142 929130568 /nfs/dbraw/zinc/13/05/68/929130568.db2.gz JCQYXYMHBDCSPR-SFHVURJKSA-N 0 3 375.450 3.734 20 5 GHBDHN Cc1nn(CN(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000758265354 929994617 /nfs/dbraw/zinc/99/46/17/929994617.db2.gz WRNCOQFJNPZBEV-QFBILLFUSA-N 0 3 399.426 3.597 20 5 GHBDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531423 931260040 /nfs/dbraw/zinc/26/00/40/931260040.db2.gz OGFBGKBIFVNDEX-QWRGUYRKSA-N 0 3 377.338 3.725 20 5 GHBDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531424 931260124 /nfs/dbraw/zinc/26/01/24/931260124.db2.gz OGFBGKBIFVNDEX-WDEREUQCSA-N 0 3 377.338 3.725 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000557955350 931773441 /nfs/dbraw/zinc/77/34/41/931773441.db2.gz DHIRBKFXZSYUHM-OXQOHEQNSA-N 0 3 387.455 3.722 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000797084947 932176095 /nfs/dbraw/zinc/17/60/95/932176095.db2.gz WCLMLYSZBHOORN-QFIXIFRTSA-N 0 3 379.460 3.841 20 5 GHBDHN COC[C@]1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC000797122227 932192085 /nfs/dbraw/zinc/19/20/85/932192085.db2.gz CJNQEXVDBZRMMI-MGPUTAFESA-N 0 3 393.484 3.662 20 5 GHBDHN COc1ccc(CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000798508213 932680409 /nfs/dbraw/zinc/68/04/09/932680409.db2.gz VXIROAQRSPBREK-INIZCTEOSA-N 0 3 381.473 3.632 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2c(F)cccc2N2CCCC2)n1 ZINC000560575646 933356263 /nfs/dbraw/zinc/35/62/63/933356263.db2.gz YBSGUIHDUNTNGJ-MJGOQNOKSA-N 0 3 387.459 3.804 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CCOC1CCSCC1)[C@H]1CC[C@H](O)CC1 ZINC000930808928 934254619 /nfs/dbraw/zinc/25/46/19/934254619.db2.gz KEKJMGXPAZQJIF-IYARVYRRSA-N 0 3 394.537 3.613 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000561804780 934467018 /nfs/dbraw/zinc/46/70/18/934467018.db2.gz LLSWHJXHFHMNKP-FUHWJXTLSA-N 0 3 382.464 3.996 20 5 GHBDHN Cc1nc(Cl)nc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC001227339473 1032381569 /nfs/dbraw/zinc/38/15/69/1032381569.db2.gz JLDQHLUYMKUDPB-QLPKVWCKSA-N 0 3 388.855 3.636 20 5 GHBDHN C[C@H](N)c1nc2ccccc2n1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001155258119 1032473331 /nfs/dbraw/zinc/47/33/31/1032473331.db2.gz MEPLLHPUCXVVEW-NSHDSACASA-N 0 3 378.367 3.550 20 5 GHBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc4ccc5cccnc5c43)C[C@H]1N2C ZINC001227763685 1032546479 /nfs/dbraw/zinc/54/64/79/1032546479.db2.gz GRWJIIVNYKQCJN-CTAFRAEOSA-N 0 3 376.456 3.934 20 5 GHBDHN COC(=O)c1cccc(O[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001227894195 1032673963 /nfs/dbraw/zinc/67/39/63/1032673963.db2.gz KTCZEWASCLZOKG-KXBFYZLASA-N 0 3 384.432 3.671 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000562887412 1018756836 /nfs/dbraw/zinc/75/68/36/1018756836.db2.gz VOXWTNYRIDRBEO-SCLBCKFNSA-N 0 3 391.468 3.634 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(-n3cncc3CNCc3ccccc3)c2c1 ZINC001156482620 1033057290 /nfs/dbraw/zinc/05/72/90/1033057290.db2.gz PDNCBPLGNOVPIR-UHFFFAOYSA-N 0 3 394.822 3.667 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001229055986 1033252609 /nfs/dbraw/zinc/25/26/09/1033252609.db2.gz IZYFAXLEKCPWTL-YWZLYKJASA-N 0 3 384.432 3.671 20 5 GHBDHN NC(=O)[C@@H]1CN(Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)CCO1 ZINC001138811226 1025404733 /nfs/dbraw/zinc/40/47/33/1025404733.db2.gz VLQULKCKLOFWME-NRFANRHFSA-N 0 3 398.466 3.642 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](c1cccs1)N(C)C ZINC001161941715 1025507149 /nfs/dbraw/zinc/50/71/49/1025507149.db2.gz MYXUWBSMUDOIDW-ZDUSSCGKSA-N 0 3 383.857 3.811 20 5 GHBDHN COc1ccc([C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC001161947496 1025508958 /nfs/dbraw/zinc/50/89/58/1025508958.db2.gz HPJDPRMIUSCDAU-HXUWFJFHSA-N 0 3 392.459 3.823 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000839247572 1025754329 /nfs/dbraw/zinc/75/43/29/1025754329.db2.gz MERCLPUPJKRMKR-UHFFFAOYSA-N 0 3 377.828 3.879 20 5 GHBDHN O=[N+]([O-])c1cc(F)ccc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001162823165 1025930895 /nfs/dbraw/zinc/93/08/95/1025930895.db2.gz GEZFAILDGSTCNE-UHFFFAOYSA-N 0 3 377.391 3.828 20 5 GHBDHN CN1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@@H]1Cc1ccccc1 ZINC001163260286 1026110738 /nfs/dbraw/zinc/11/07/38/1026110738.db2.gz IVMDPSMWTKNNGN-INIZCTEOSA-N 0 3 397.866 3.555 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001165202793 1026664992 /nfs/dbraw/zinc/66/49/92/1026664992.db2.gz OXKCXMRMGOBRCT-JKSUJKDBSA-N 0 3 377.448 3.637 20 5 GHBDHN Cc1c(CNC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001461265082 1069469118 /nfs/dbraw/zinc/46/91/18/1069469118.db2.gz WIPHNLUAJWDGRW-WMLDXEAASA-N 0 3 393.484 3.753 20 5 GHBDHN C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC001222693416 1030281052 /nfs/dbraw/zinc/28/10/52/1030281052.db2.gz QYMYSSUGUAFCAE-LAUBAEHRSA-N 0 3 398.507 3.908 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCCN(Cc2ccccc2)C1 ZINC001223449725 1030579304 /nfs/dbraw/zinc/57/93/04/1030579304.db2.gz DSLSEDRXDVURIJ-IBGZPJMESA-N 0 3 384.432 3.563 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001206034508 1033697121 /nfs/dbraw/zinc/69/71/21/1033697121.db2.gz NNPNKQIIVDKDKD-YJBOKZPZSA-N 0 3 382.464 3.942 20 5 GHBDHN CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1CNCc2ccnn2C1 ZINC001160734724 1035048984 /nfs/dbraw/zinc/04/89/84/1035048984.db2.gz IIEPVBHPDBLVDQ-LJQANCHMSA-N 0 3 384.483 3.568 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCN(Cc4ccccc4F)CC3)CC2)cc1 ZINC001254478598 1040264972 /nfs/dbraw/zinc/26/49/72/1040264972.db2.gz HPWWYKDNSNKYKL-UHFFFAOYSA-N 0 3 398.482 3.521 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001254559134 1040329924 /nfs/dbraw/zinc/32/99/24/1040329924.db2.gz IVUCBYCZZJDQOX-HNNXBMFYSA-N 0 3 377.485 3.857 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001254570929 1040348282 /nfs/dbraw/zinc/34/82/82/1040348282.db2.gz QRHCXVYIOSWRMD-YWZLYKJASA-N 0 3 377.485 3.763 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCCCN3Cc3ccccc3)nc2c1 ZINC001462517630 1070321325 /nfs/dbraw/zinc/32/13/25/1070321325.db2.gz JXGLVSKCEDAPCN-SFHVURJKSA-N 0 3 380.448 3.880 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](c2ccc(F)cc2)N(C)C)cc1C ZINC001306936068 1048968015 /nfs/dbraw/zinc/96/80/15/1048968015.db2.gz JPBYBOUROVJXIR-LJQANCHMSA-N 0 3 389.427 3.934 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F ZINC001288763357 1049221359 /nfs/dbraw/zinc/22/13/59/1049221359.db2.gz YMXRJEBUQNLPHL-UHFFFAOYSA-N 0 3 397.353 3.693 20 5 GHBDHN O=[N+]([O-])c1cccc(Br)c1CNC1CCC(OC(F)F)CC1 ZINC001308406300 1049968894 /nfs/dbraw/zinc/96/88/94/1049968894.db2.gz BBEAWJVAOZIKPR-UHFFFAOYSA-N 0 3 379.201 3.997 20 5 GHBDHN CCOc1cc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001308734344 1050075846 /nfs/dbraw/zinc/07/58/46/1050075846.db2.gz LWTPXBPBRRYDHS-ICSRJNTNSA-N 0 3 381.476 3.919 20 5 GHBDHN CC([C@@H](OC(=O)C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC001344022507 1054195374 /nfs/dbraw/zinc/19/53/74/1054195374.db2.gz OKSFEKYYLHWFDL-VFGMZZLHSA-N 0 3 386.379 3.591 20 5 GHBDHN CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001445929057 1059658024 /nfs/dbraw/zinc/65/80/24/1059658024.db2.gz NNRUFSVLBJSEGB-QGZVFWFLSA-N 0 3 387.867 3.524 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC001457609219 1063274974 /nfs/dbraw/zinc/27/49/74/1063274974.db2.gz BGBUUBHMYHDXJZ-UHFFFAOYSA-N 0 3 393.871 3.673 20 5 GHBDHN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCN[C@@H](c2ccccc2)C1 ZINC001458632490 1063910890 /nfs/dbraw/zinc/91/08/90/1063910890.db2.gz PFDJJMUNMBMFEO-OAQYLSRUSA-N 0 3 387.439 3.977 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001464141815 1064854568 /nfs/dbraw/zinc/85/45/68/1064854568.db2.gz ROZMGMRTFCDNIZ-GUDVDZBRSA-N 0 3 387.505 3.959 20 5 GHBDHN C[C@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC001300206348 1065693190 /nfs/dbraw/zinc/69/31/90/1065693190.db2.gz HPBSGXAHCBBZFS-QFIPXVFZSA-N 0 3 396.491 3.568 20 5 GHBDHN CN(C)CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001357344195 1067055832 /nfs/dbraw/zinc/05/58/32/1067055832.db2.gz NGRIRCPORAXWPD-UHFFFAOYSA-N 0 3 375.856 3.776 20 5 GHBDHN CC(C)N(CCOc1ccccc1[N+](=O)[O-])CCN(C)C(=O)OC(C)(C)C ZINC001460809618 1069194762 /nfs/dbraw/zinc/19/47/62/1069194762.db2.gz NBWWAMDYSROFAZ-UHFFFAOYSA-N 0 3 381.473 3.551 20 5 GHBDHN CCc1ccc2c(c1)CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C2 ZINC001460970888 1069305596 /nfs/dbraw/zinc/30/55/96/1069305596.db2.gz HGWXKUOUYIABSS-UHFFFAOYSA-N 0 3 383.448 3.553 20 5 GHBDHN CN1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCC1(C)C ZINC001470650858 1072670054 /nfs/dbraw/zinc/67/00/54/1072670054.db2.gz SDABIMDXCWZSLW-UHFFFAOYSA-N 0 3 382.464 3.895 20 5 GHBDHN Cc1ccc(CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001471083598 1072916303 /nfs/dbraw/zinc/91/63/03/1072916303.db2.gz QWQSZEIDSDDCAU-GOSISDBHSA-N 0 3 396.491 3.709 20 5 GHBDHN CC(C)(C)OC(=O)N[C@H]1CCCCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001473709396 1074099939 /nfs/dbraw/zinc/09/99/39/1074099939.db2.gz UCSRLWNOJLVFNQ-INIZCTEOSA-N 0 3 393.484 3.743 20 5 GHBDHN Cc1c(CN[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001474132858 1074272093 /nfs/dbraw/zinc/27/20/93/1074272093.db2.gz XEUJMPGEHZKHPG-NRFANRHFSA-N 0 3 383.448 3.794 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001474612581 1074483840 /nfs/dbraw/zinc/48/38/40/1074483840.db2.gz MCGXLADQPBRUQG-XZOQPEGZSA-N 0 3 395.503 3.687 20 5 GHBDHN C[C@H](CNCc1ccc(NC(=O)OC(C)(C)C)nn1)c1ccccc1[N+](=O)[O-] ZINC001474727605 1074536089 /nfs/dbraw/zinc/53/60/89/1074536089.db2.gz HWLASRRKXLFYAL-CYBMUJFWSA-N 0 3 387.440 3.625 20 5 GHBDHN COc1ccccc1[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])N1CCCC1 ZINC000024341875 204820073 /nfs/dbraw/zinc/82/00/73/204820073.db2.gz NQNJGTYTXHSBHN-INIZCTEOSA-N 0 3 381.436 3.500 20 5 GHBDHN C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824586296 609151844 /nfs/dbraw/zinc/15/18/44/609151844.db2.gz XQPBJSRZGMQZGU-ZDUSSCGKSA-N 0 3 384.415 3.588 20 5 GHBDHN C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824586296 609151845 /nfs/dbraw/zinc/15/18/45/609151845.db2.gz XQPBJSRZGMQZGU-ZDUSSCGKSA-N 0 3 384.415 3.588 20 5 GHBDHN Cn1c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc2cc(Cl)ccc21 ZINC000581231207 837486324 /nfs/dbraw/zinc/48/63/24/837486324.db2.gz YTYMTGFZCNNNJC-CZUORRHYSA-N 0 3 388.859 3.605 20 5 GHBDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180828270 837580418 /nfs/dbraw/zinc/58/04/18/837580418.db2.gz OJHSRTZQYDOGSH-CHWSQXEVSA-N 0 3 382.507 3.797 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000176735447 837742996 /nfs/dbraw/zinc/74/29/96/837742996.db2.gz GPDXKNNEERVDTR-KRWDZBQOSA-N 0 3 384.480 3.738 20 5 GHBDHN CC(C)NC(=O)c1ccc(NC[C@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000052486085 834806668 /nfs/dbraw/zinc/80/66/68/834806668.db2.gz FATBDBQEAFCFAP-LJQANCHMSA-N 0 3 388.443 3.587 20 5 GHBDHN CSc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000187081791 835004626 /nfs/dbraw/zinc/00/46/26/835004626.db2.gz CGUPRVJEROSHSK-YOEHRIQHSA-N 0 3 385.489 3.567 20 5 GHBDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583855946 835159606 /nfs/dbraw/zinc/15/96/06/835159606.db2.gz XYOKHFQLBNFMTJ-ZWKOTPCHSA-N 0 3 381.476 3.679 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000024240104 835476400 /nfs/dbraw/zinc/47/64/00/835476400.db2.gz KACPIIAANWIEDA-LJQANCHMSA-N 0 3 386.452 3.808 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(c4ccnc5ccccc54)CC3)nc2c1 ZINC000509886781 844120968 /nfs/dbraw/zinc/12/09/68/844120968.db2.gz OJXBMSFHYZJYBF-UHFFFAOYSA-N 0 3 388.431 3.736 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411531915 836213583 /nfs/dbraw/zinc/21/35/83/836213583.db2.gz YOLMIIHROIVEMO-UHFFFAOYSA-N 0 3 383.448 3.519 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411595243 836228158 /nfs/dbraw/zinc/22/81/58/836228158.db2.gz XUZRDNUYPDWQRZ-CEDBRAGKSA-N 0 3 379.460 3.650 20 5 GHBDHN CN(C)C(=O)C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000180536400 837341089 /nfs/dbraw/zinc/34/10/89/837341089.db2.gz PPLIUCNMHFWILT-FQEVSTJZSA-N 0 3 381.476 3.922 20 5 GHBDHN CCc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000471438120 838041205 /nfs/dbraw/zinc/04/12/05/838041205.db2.gz XELNDTYEXOTOGL-HXUWFJFHSA-N 0 3 381.476 3.894 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000549102833 838335218 /nfs/dbraw/zinc/33/52/18/838335218.db2.gz PVTSIRHEAURVIX-NRFANRHFSA-N 0 3 398.507 3.644 20 5 GHBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCCC1 ZINC000535716712 844353618 /nfs/dbraw/zinc/35/36/18/844353618.db2.gz WWDGBSPCCVGMQQ-HNNXBMFYSA-N 0 3 385.489 3.960 20 5 GHBDHN CC(C)N1CCN(c2cccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000122327820 839022833 /nfs/dbraw/zinc/02/28/33/839022833.db2.gz WHUUOHGFIJZLET-UHFFFAOYSA-N 0 3 396.491 3.697 20 5 GHBDHN CCN(CC)CCN(CCOC)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275839241 839295857 /nfs/dbraw/zinc/29/58/57/839295857.db2.gz PKKDGBGHPSBHCS-UHFFFAOYSA-N 0 3 395.503 3.524 20 5 GHBDHN CN(C)C1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCC1 ZINC000275870179 839366551 /nfs/dbraw/zinc/36/65/51/839366551.db2.gz JTVLWZKSESXEOK-UHFFFAOYSA-N 0 3 385.414 3.586 20 5 GHBDHN O=C(NCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000417314752 840711954 /nfs/dbraw/zinc/71/19/54/840711954.db2.gz ZZJNBOBIIJAHAD-GOSISDBHSA-N 0 3 389.402 3.660 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048299630 840909354 /nfs/dbraw/zinc/90/93/54/840909354.db2.gz SREQQIPIHWFAMV-LJQANCHMSA-N 0 3 378.432 3.643 20 5 GHBDHN O=[N+]([O-])c1cccc2c(NC[C@H]3CN(Cc4ccccc4)CCCO3)ccnc21 ZINC000432172944 840928171 /nfs/dbraw/zinc/92/81/71/840928171.db2.gz RARVTVNFRCOMOG-SFHVURJKSA-N 0 3 392.459 3.846 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H]3CSCCS3)o2)c([N+](=O)[O-])c1 ZINC000759831633 841902740 /nfs/dbraw/zinc/90/27/40/841902740.db2.gz BZXXDHHLOFDPPS-AWEZNQCLSA-N 0 3 380.491 3.802 20 5 GHBDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471808327 842634339 /nfs/dbraw/zinc/63/43/39/842634339.db2.gz DTPJTHZIFPJWDY-ZYHUDNBSSA-N 0 3 381.226 3.572 20 5 GHBDHN C[C@H]1C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471808323 842635146 /nfs/dbraw/zinc/63/51/46/842635146.db2.gz DTPJTHZIFPJWDY-JQWIXIFHSA-N 0 3 381.226 3.572 20 5 GHBDHN C[C@H](C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581918549 842685812 /nfs/dbraw/zinc/68/58/12/842685812.db2.gz DPEBRQZBCCOLAT-ROUUACIJSA-N 0 3 381.476 3.821 20 5 GHBDHN O=C(NC1CC1)c1ccc(CN(CCOc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000051406642 842969172 /nfs/dbraw/zinc/96/91/72/842969172.db2.gz TYBVLQUZQRQYLP-UHFFFAOYSA-N 0 3 395.459 3.530 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512215102 843104079 /nfs/dbraw/zinc/10/40/79/843104079.db2.gz UUQBLUKGEUIFKR-OAHLLOKOSA-N 0 3 385.247 3.994 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC(c4ncc[nH]4)CC3)o2)c([N+](=O)[O-])c1 ZINC000512379857 843597608 /nfs/dbraw/zinc/59/76/08/843597608.db2.gz QJWKYNIMUWDXNB-UHFFFAOYSA-N 0 3 382.420 3.966 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000429822725 843892293 /nfs/dbraw/zinc/89/22/93/843892293.db2.gz CAXWBXJUIBZVTM-FQEVSTJZSA-N 0 3 383.492 3.854 20 5 GHBDHN COC(=O)COc1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433278930 843950849 /nfs/dbraw/zinc/95/08/49/843950849.db2.gz MSNFTCURXUKZCN-LJQANCHMSA-N 0 3 384.432 3.659 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000513248916 845119366 /nfs/dbraw/zinc/11/93/66/845119366.db2.gz KGAFFOAQSUHACO-APWZRJJASA-N 0 3 399.516 3.856 20 5 GHBDHN COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000072006523 846204178 /nfs/dbraw/zinc/20/41/78/846204178.db2.gz ZLUSCZCFRPUUGX-FQEVSTJZSA-N 0 3 397.475 3.806 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)c(C)c2)CC1 ZINC000421433588 846236514 /nfs/dbraw/zinc/23/65/14/846236514.db2.gz VLKYHUAMKGHCQU-UHFFFAOYSA-N 0 3 396.491 3.914 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000539676419 846360657 /nfs/dbraw/zinc/36/06/57/846360657.db2.gz IDGDZRNVGGXBEI-MRXNPFEDSA-N 0 3 377.510 3.797 20 5 GHBDHN CCc1ccc([C@H](NC[C@H]2CC[C@H](C(N)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421852465 846621255 /nfs/dbraw/zinc/62/12/55/846621255.db2.gz HLOPTNNNHKLNAZ-AKCHCHLHSA-N 0 3 385.464 3.721 20 5 GHBDHN C[C@H]1CCCN(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000511145086 847457673 /nfs/dbraw/zinc/45/76/73/847457673.db2.gz VFQGEJVPAIFPIX-KRWDZBQOSA-N 0 3 396.491 3.669 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CC(F)F)c1ccccc1 ZINC000420994720 847617379 /nfs/dbraw/zinc/61/73/79/847617379.db2.gz NOZNVYNIPJZIQS-MRXNPFEDSA-N 0 3 393.390 3.918 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N(C)[C@H]3CCCN(C)C3)c([N+](=O)[O-])c2)cc1 ZINC000479480972 847656567 /nfs/dbraw/zinc/65/65/67/847656567.db2.gz FXCRRKQMUZGURJ-SFHVURJKSA-N 0 3 382.464 3.686 20 5 GHBDHN C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604126677 861857913 /nfs/dbraw/zinc/85/79/13/861857913.db2.gz QPLKRDFPSVJIBE-QGZVFWFLSA-N 0 3 382.464 3.573 20 5 GHBDHN COc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000583046742 848945145 /nfs/dbraw/zinc/94/51/45/848945145.db2.gz GRAKRFMKFWMCRX-HOTGVXAUSA-N 0 3 378.375 3.926 20 5 GHBDHN CN1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[C@H]1c1ccccc1 ZINC000248029487 849195899 /nfs/dbraw/zinc/19/58/99/849195899.db2.gz KAAAWHRCQNZZDY-LEWJYISDSA-N 0 3 394.475 3.714 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600472092 862041235 /nfs/dbraw/zinc/04/12/35/862041235.db2.gz MNPUXGHSIFWZEW-INIZCTEOSA-N 0 3 377.510 3.844 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583396803 849794986 /nfs/dbraw/zinc/79/49/86/849794986.db2.gz CYPLFWAZUKZMNG-XCBAANBCSA-N 0 3 397.475 3.863 20 5 GHBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000515071288 850665040 /nfs/dbraw/zinc/66/50/40/850665040.db2.gz CUOXERQPJPRGSS-JLTOFOAXSA-N 0 3 395.459 3.590 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000436261124 851395502 /nfs/dbraw/zinc/39/55/02/851395502.db2.gz OEIHQGTYKXFJHV-SJLPKXTDSA-N 0 3 377.485 3.805 20 5 GHBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436419635 851591891 /nfs/dbraw/zinc/59/18/91/851591891.db2.gz KALYSFRQBHOJRL-CQSZACIVSA-N 0 3 393.462 3.567 20 5 GHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515963299 851989150 /nfs/dbraw/zinc/98/91/50/851989150.db2.gz LOTOHXSPIRMNKM-KKSFZXQISA-N 0 3 397.475 3.660 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000025056779 852000150 /nfs/dbraw/zinc/00/01/50/852000150.db2.gz ORYVZWOBKHQOHQ-UHFFFAOYSA-N 0 3 395.459 3.827 20 5 GHBDHN Cc1c([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)cccc1[N+](=O)[O-] ZINC000436828772 852378573 /nfs/dbraw/zinc/37/85/73/852378573.db2.gz NATGQWBIQOHFMU-HNNXBMFYSA-N 0 3 383.448 3.564 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000517888947 852558555 /nfs/dbraw/zinc/55/85/55/852558555.db2.gz OKBFHICMYTYNKJ-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CCCN1CCN(c2ccccc2CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507151722 852618248 /nfs/dbraw/zinc/61/82/48/852618248.db2.gz JXMFDMZQYJIVEI-UHFFFAOYSA-N 0 3 382.508 3.759 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000913039104 853000562 /nfs/dbraw/zinc/00/05/62/853000562.db2.gz CWLQADHWDSUCQY-SFHVURJKSA-N 0 3 393.443 3.605 20 5 GHBDHN COc1cc(CN[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000518274617 853150814 /nfs/dbraw/zinc/15/08/14/853150814.db2.gz NOOGPWKXQIQWRZ-SFHVURJKSA-N 0 3 397.475 3.509 20 5 GHBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426249725 853160140 /nfs/dbraw/zinc/16/01/40/853160140.db2.gz QSEKFWUNFNBWGZ-LJQANCHMSA-N 0 3 394.475 3.543 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000518410677 853315152 /nfs/dbraw/zinc/31/51/52/853315152.db2.gz WMJTYTRQAUNHTI-VQIMIIECSA-N 0 3 382.464 3.572 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000588176463 854201526 /nfs/dbraw/zinc/20/15/26/854201526.db2.gz FHXMIGZPZCDMRG-LJQANCHMSA-N 0 3 389.427 3.554 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000588771331 854411425 /nfs/dbraw/zinc/41/14/25/854411425.db2.gz XRDGXMZFILLSBQ-KSSFIOAISA-N 0 3 385.489 3.710 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000589104905 854687273 /nfs/dbraw/zinc/68/72/73/854687273.db2.gz GREPTMYKXLFBMJ-CYBMUJFWSA-N 0 3 395.381 3.864 20 5 GHBDHN Cc1cn[nH]c1CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000589495984 854908196 /nfs/dbraw/zinc/90/81/96/854908196.db2.gz ULLLMWWWBQPBIP-UHFFFAOYSA-N 0 3 397.504 3.673 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2Cc2cccc(OC)c2)c1 ZINC000589497445 854910407 /nfs/dbraw/zinc/91/04/07/854910407.db2.gz XBZYWADLLLMWQN-GOSISDBHSA-N 0 3 384.432 3.597 20 5 GHBDHN COC(=O)COc1ccc(CN2C[C@H](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000574765490 855849312 /nfs/dbraw/zinc/84/93/12/855849312.db2.gz LXNBIYZHNADMGF-CRAIPNDOSA-N 0 3 384.432 3.730 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@H](O)CC[C@H](O)c2ccccc2)cc(C(F)(F)F)c1 ZINC000905237386 856232836 /nfs/dbraw/zinc/23/28/36/856232836.db2.gz JQSZMYGCLOCLNS-MSOLQXFVSA-N 0 3 398.381 3.578 20 5 GHBDHN O=C(CN(C1CC1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000064807856 857249399 /nfs/dbraw/zinc/24/93/99/857249399.db2.gz WQOIXCMGFRDGLL-UHFFFAOYSA-N 0 3 382.258 3.703 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3ccc4c(c3)OCO4)cs2)c1 ZINC000113315087 857423503 /nfs/dbraw/zinc/42/35/03/857423503.db2.gz CFVBFAOJPSRDEU-UHFFFAOYSA-N 0 3 383.429 3.779 20 5 GHBDHN O=C(CCc1ccccc1)N1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192952851 857766526 /nfs/dbraw/zinc/76/65/26/857766526.db2.gz INEIXGJOAIVVEU-KNQAVFIVSA-N 0 3 393.487 3.796 20 5 GHBDHN CC(C)(C)O[C@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000594990537 858359395 /nfs/dbraw/zinc/35/93/95/858359395.db2.gz ZUDXLQAILCAHJM-IRXDYDNUSA-N 0 3 376.453 3.677 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000595037602 858375719 /nfs/dbraw/zinc/37/57/19/858375719.db2.gz AEYBNWZKRRMQPW-AAEUAGOBSA-N 0 3 398.381 3.523 20 5 GHBDHN O=c1[nH]ccc(NCC2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000596120984 858785136 /nfs/dbraw/zinc/78/51/36/858785136.db2.gz HHQFGYUKVHNZEH-UHFFFAOYSA-N 0 3 376.844 3.673 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3C[C@H](O)C34CCOCC4)o2)c(Cl)c1 ZINC000923021596 858951243 /nfs/dbraw/zinc/95/12/43/858951243.db2.gz SUFPWDLTMVSXEB-MSOLQXFVSA-N 0 3 392.839 3.528 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328347 881365862 /nfs/dbraw/zinc/36/58/62/881365862.db2.gz JXXQPFGZGNWCPH-IGCXYCKISA-N 0 3 390.402 3.560 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000483325947 859300443 /nfs/dbraw/zinc/30/04/43/859300443.db2.gz PMOWSJRXLQVKHW-XJKSGUPXSA-N 0 3 390.440 3.837 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000601620105 859381296 /nfs/dbraw/zinc/38/12/96/859381296.db2.gz GXQAOHNIJOEYNT-CYBMUJFWSA-N 0 3 389.477 3.784 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117669193 859560659 /nfs/dbraw/zinc/56/06/59/859560659.db2.gz DEODTASJMAFKAE-UHFFFAOYSA-N 0 3 393.846 3.520 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCc3ccccc3C2)c2ccccc21 ZINC000611112980 859610458 /nfs/dbraw/zinc/61/04/58/859610458.db2.gz ROYBTOCQNWOXNZ-GOSISDBHSA-N 0 3 378.428 3.546 20 5 GHBDHN CCOc1ccc([C@H](C)NC[C@@H](O)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000611248146 859666847 /nfs/dbraw/zinc/66/68/47/859666847.db2.gz GHHUBILXFUQVNH-FUHWJXTLSA-N 0 3 388.464 3.701 20 5 GHBDHN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543428899 859687895 /nfs/dbraw/zinc/68/78/95/859687895.db2.gz HUZIDECHLOFLDY-KBPBESRZSA-N 0 3 394.518 3.941 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4CCN(C)C[C@@H]43)c([N+](=O)[O-])c2)cc1 ZINC000611510238 859790727 /nfs/dbraw/zinc/79/07/27/859790727.db2.gz QMYBMVKOHNWESV-IERDGZPVSA-N 0 3 394.475 3.686 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000543481018 859889356 /nfs/dbraw/zinc/88/93/56/859889356.db2.gz NZGCNFPZSVLASB-INIZCTEOSA-N 0 3 387.455 3.736 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@H]2CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351583 881493631 /nfs/dbraw/zinc/49/36/31/881493631.db2.gz GJDDFQCPGSRPDE-HOCLYGCPSA-N 0 3 378.469 3.731 20 5 GHBDHN Cc1cccc(O[C@H]2CCCC[C@@H]2NCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000484647745 860219700 /nfs/dbraw/zinc/21/97/00/860219700.db2.gz QDJYWDRBFOYXTK-ICSRJNTNSA-N 0 3 383.448 3.822 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@H]3CC[C@@H](CO)O3)cc2[N+](=O)[O-])cc1 ZINC000552278528 860415962 /nfs/dbraw/zinc/41/59/62/860415962.db2.gz BCZKLSWDEKHTEZ-SJORKVTESA-N 0 3 388.489 3.684 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474594787 860434331 /nfs/dbraw/zinc/43/43/31/860434331.db2.gz GCJABSPHHGDTLE-SFHVURJKSA-N 0 3 382.464 3.950 20 5 GHBDHN COC(=O)c1cc(NC[C@H](c2ccc(C)o2)N2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000474780876 860765428 /nfs/dbraw/zinc/76/54/28/860765428.db2.gz TYPKCSJTZOSMTH-QGZVFWFLSA-N 0 3 387.436 3.840 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025856661 864574086 /nfs/dbraw/zinc/57/40/86/864574086.db2.gz SABUAEDCFXSTQT-LJQANCHMSA-N 0 3 385.464 3.725 20 5 GHBDHN COC[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000494489324 881786246 /nfs/dbraw/zinc/78/62/46/881786246.db2.gz CUXPCUYZOBWANA-SCLBCKFNSA-N 0 3 391.855 3.943 20 5 GHBDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736593307 865244418 /nfs/dbraw/zinc/24/44/18/865244418.db2.gz FBUSNMYTFWWDBA-YOEHRIQHSA-N 0 3 381.411 3.828 20 5 GHBDHN Cc1ccccc1[C@H]1C[C@H](C)N(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000738055576 865488369 /nfs/dbraw/zinc/48/83/69/865488369.db2.gz KQKOJZJCHRGLQB-WMZOPIPTSA-N 0 3 377.448 3.997 20 5 GHBDHN C[C@H](C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185493349 866146507 /nfs/dbraw/zinc/14/65/07/866146507.db2.gz CASQXXWEOCVQKJ-VYDXJSESSA-N 0 3 385.439 3.617 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000475545090 866230492 /nfs/dbraw/zinc/23/04/92/866230492.db2.gz DEOJFSUKYDHMLB-AEFFLSMTSA-N 0 3 382.464 3.996 20 5 GHBDHN C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485023 866963303 /nfs/dbraw/zinc/96/33/03/866963303.db2.gz HLIQVSYAIUBEIS-JSGCOSHPSA-N 0 3 378.379 3.839 20 5 GHBDHN CC(C)N1CCN([C@H]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000553482588 867525079 /nfs/dbraw/zinc/52/50/79/867525079.db2.gz HWJOGHDNLIDYDQ-AWEZNQCLSA-N 0 3 387.311 3.506 20 5 GHBDHN CN(C)[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000523574897 867554563 /nfs/dbraw/zinc/55/45/63/867554563.db2.gz FWHVJYMUGYGSFR-FQEVSTJZSA-N 0 3 384.480 3.520 20 5 GHBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000534840802 867619973 /nfs/dbraw/zinc/61/99/73/867619973.db2.gz DKAOAPQXXRJJBN-OAQYLSRUSA-N 0 3 392.459 3.956 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N1Cc2ccccc2C1 ZINC000479514266 867938965 /nfs/dbraw/zinc/93/89/65/867938965.db2.gz OIJCDEXUPVACJK-QAPCUYQASA-N 0 3 399.516 3.986 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462623680 869782692 /nfs/dbraw/zinc/78/26/92/869782692.db2.gz VRQZJCUFZUQQEC-UNMCSNQZSA-N 0 3 395.503 3.896 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000462771526 870068973 /nfs/dbraw/zinc/06/89/73/870068973.db2.gz FPJYLTVLWIHTJW-IOMROCGXSA-N 0 3 395.503 3.943 20 5 GHBDHN COc1cc(NCCCN2CCN(c3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000462921514 870403895 /nfs/dbraw/zinc/40/38/95/870403895.db2.gz HAJOVSQJBGTECZ-UHFFFAOYSA-N 0 3 384.480 3.536 20 5 GHBDHN O=[N+]([O-])c1cc(CN[C@]2(CCO)CCOC2)ccc1Oc1ccccc1Cl ZINC000447066695 870953430 /nfs/dbraw/zinc/95/34/30/870953430.db2.gz GEORBTYWJGKQSD-LJQANCHMSA-N 0 3 392.839 3.672 20 5 GHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2coc(-c3cccc(Br)c3)n2)C1 ZINC001169001953 871089191 /nfs/dbraw/zinc/08/91/91/871089191.db2.gz IQHQVXLYKOUQHK-RISCZKNCSA-N 0 3 380.242 3.639 20 5 GHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001169024471 871124538 /nfs/dbraw/zinc/12/45/38/871124538.db2.gz HFVCUHVYCWDZGT-KNQAVFIVSA-N 0 3 379.504 3.839 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000540987366 872679283 /nfs/dbraw/zinc/67/92/83/872679283.db2.gz NSBLNBXXJLTDQI-INIZCTEOSA-N 0 3 393.390 3.537 20 5 GHBDHN COc1cccc2c1OC[C@@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000609122327 872898017 /nfs/dbraw/zinc/89/80/17/872898017.db2.gz DZKUNOTWJCRHPG-INIZCTEOSA-N 0 3 380.400 3.957 20 5 GHBDHN CCCN(CCN(C)C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000478394425 872933319 /nfs/dbraw/zinc/93/33/19/872933319.db2.gz AGXXLSMGHPFDGC-INIZCTEOSA-N 0 3 399.495 3.577 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001129394545 882752674 /nfs/dbraw/zinc/75/26/74/882752674.db2.gz CCMYKSNUAKCJDW-OAHLLOKOSA-N 0 3 389.883 3.818 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000769918753 874341311 /nfs/dbraw/zinc/34/13/11/874341311.db2.gz AJBPQNUJGADLHO-MRXNPFEDSA-N 0 3 381.448 3.907 20 5 GHBDHN COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001198385950 874384173 /nfs/dbraw/zinc/38/41/73/874384173.db2.gz DGGGHJOTGLAWND-QGZVFWFLSA-N 0 3 383.448 3.763 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)N(C)C)cc1 ZINC000858177146 882912158 /nfs/dbraw/zinc/91/21/58/882912158.db2.gz LPSXFRWBQZKSEU-KRWDZBQOSA-N 0 3 375.856 3.843 20 5 GHBDHN C[C@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000785713027 876217915 /nfs/dbraw/zinc/21/79/15/876217915.db2.gz JORWPEPVHCMKKA-INIZCTEOSA-N 0 3 398.459 3.717 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000443947104 876971392 /nfs/dbraw/zinc/97/13/92/876971392.db2.gz NTFYJWWRFUYILJ-GOSISDBHSA-N 0 3 382.464 3.998 20 5 GHBDHN COC[C@@H](CCO)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000610090155 877386134 /nfs/dbraw/zinc/38/61/34/877386134.db2.gz PVPPCVYMAXNDMS-MRXNPFEDSA-N 0 3 376.478 3.541 20 5 GHBDHN CC(C)[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](O)c1ccc(Cl)cc1 ZINC000852731515 878561734 /nfs/dbraw/zinc/56/17/34/878561734.db2.gz XTWHFIKWOQKING-RBUKOAKNSA-N 0 3 388.855 3.972 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000520064977 879451402 /nfs/dbraw/zinc/45/14/02/879451402.db2.gz SKHACTDHIAYIKF-FQEVSTJZSA-N 0 3 384.480 3.514 20 5 GHBDHN C[C@]1(C(N)=O)CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000475676572 879451869 /nfs/dbraw/zinc/45/18/69/879451869.db2.gz KFISCTQCCAWYOU-IBGZPJMESA-N 0 3 389.839 3.738 20 5 GHBDHN CCOC(=O)c1ccnc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1[N+](=O)[O-] ZINC000531333990 879642031 /nfs/dbraw/zinc/64/20/31/879642031.db2.gz RZDICAAERXDTQP-HNNXBMFYSA-N 0 3 392.843 3.535 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247915466 880085706 /nfs/dbraw/zinc/08/57/06/880085706.db2.gz AWSQIWZLADZYGC-RTWAWAEBSA-N 0 3 396.491 3.960 20 5 GHBDHN C[C@H](c1ccncc1)N1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286283595 912667773 /nfs/dbraw/zinc/66/77/73/912667773.db2.gz RKAJIXUWKOONLB-GFCCVEGCSA-N 0 3 384.465 3.632 20 5 GHBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001129801077 883178246 /nfs/dbraw/zinc/17/82/46/883178246.db2.gz KTSSDUXMKXYNON-QGZVFWFLSA-N 0 3 383.448 3.942 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000609506187 883300616 /nfs/dbraw/zinc/30/06/16/883300616.db2.gz LFEGLNMUYYXNFS-HOTGVXAUSA-N 0 3 387.505 3.712 20 5 GHBDHN C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CO1 ZINC000565596417 883670875 /nfs/dbraw/zinc/67/08/75/883670875.db2.gz JFGGDNDDENHCST-WDEREUQCSA-N 0 3 381.226 3.884 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000509504227 883788265 /nfs/dbraw/zinc/78/82/65/883788265.db2.gz RJDWYHDNNAFBPN-PXNSSMCTSA-N 0 3 396.491 3.739 20 5 GHBDHN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1C ZINC000498483197 884558147 /nfs/dbraw/zinc/55/81/47/884558147.db2.gz XJVBRDGFYRBFQO-ZIAGYGMSSA-N 0 3 388.493 3.711 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000843798013 884734203 /nfs/dbraw/zinc/73/42/03/884734203.db2.gz DRBWMEUHNLXLPH-UHFFFAOYSA-N 0 3 385.439 3.779 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000248878334 884892756 /nfs/dbraw/zinc/89/27/56/884892756.db2.gz RJJLHEOVOOIXRU-KBXCAEBGSA-N 0 3 385.489 3.567 20 5 GHBDHN CC([C@@H](OC(=O)c1cccc(OC(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000860855165 885054768 /nfs/dbraw/zinc/05/47/68/885054768.db2.gz SZPPEGZWWFOWQC-SJKOYZFVSA-N 0 3 376.384 3.961 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000806948946 885141456 /nfs/dbraw/zinc/14/14/56/885141456.db2.gz BFRISXPBBLMARN-MLGOLLRUSA-N 0 3 394.859 3.770 20 5 GHBDHN CCOC(=O)c1csc(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000191563792 885386736 /nfs/dbraw/zinc/38/67/36/885386736.db2.gz LLDGWGPREMKJSI-UHFFFAOYSA-N 0 3 389.477 3.650 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000532494846 885864032 /nfs/dbraw/zinc/86/40/32/885864032.db2.gz MYTLVWSQHFUGJJ-OAHLLOKOSA-N 0 3 383.448 3.564 20 5 GHBDHN CCOc1ccc([C@@H](C)NCCCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000153265389 887227965 /nfs/dbraw/zinc/22/79/65/887227965.db2.gz JNWJLVFPAIEVJT-OAHLLOKOSA-N 0 3 392.477 3.508 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(OCCO)cc2)s1 ZINC000609223589 887235343 /nfs/dbraw/zinc/23/53/43/887235343.db2.gz JVBKKZRUEJHKHM-UHFFFAOYSA-N 0 3 384.457 3.984 20 5 GHBDHN CCCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000809333766 887338237 /nfs/dbraw/zinc/33/82/37/887338237.db2.gz HUHUAUVVKXPYIT-UHFFFAOYSA-N 0 3 392.456 3.540 20 5 GHBDHN COc1ccc(NC(=O)C[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000194061711 887995317 /nfs/dbraw/zinc/99/53/17/887995317.db2.gz VJSCJTYGMNNJMM-ZIAGYGMSSA-N 0 3 387.436 3.680 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000809985798 888041305 /nfs/dbraw/zinc/04/13/05/888041305.db2.gz UUVDQBUDWPYUQD-CVEARBPZSA-N 0 3 388.295 3.635 20 5 GHBDHN C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)Cc1ccccc1 ZINC000121888932 888346878 /nfs/dbraw/zinc/34/68/78/888346878.db2.gz NLODCSYKWADVJJ-KRWDZBQOSA-N 0 3 396.491 3.789 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000488074799 888724592 /nfs/dbraw/zinc/72/45/92/888724592.db2.gz ZRCUIEJOBCKFPX-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN CSc1ccc(C(=O)N(CCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC000916384047 888949907 /nfs/dbraw/zinc/94/99/07/888949907.db2.gz KWURFGQHDWFZCO-UHFFFAOYSA-N 0 3 387.505 3.563 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000868817742 889612889 /nfs/dbraw/zinc/61/28/89/889612889.db2.gz KWYPOBPJUDLZJG-UHFFFAOYSA-N 0 3 379.363 3.504 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000533047939 889613214 /nfs/dbraw/zinc/61/32/14/889613214.db2.gz YANPYINGAPDQBH-UHFFFAOYSA-N 0 3 393.447 3.638 20 5 GHBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000533292724 890208386 /nfs/dbraw/zinc/20/83/86/890208386.db2.gz DNZWDWUMXISYJQ-RBUKOAKNSA-N 0 3 389.496 3.644 20 5 GHBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC000872249176 891216901 /nfs/dbraw/zinc/21/69/01/891216901.db2.gz DDFCIEYADHDJFZ-LLVKDONJSA-N 0 3 382.342 3.688 20 5 GHBDHN Cc1cc(Cl)c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000825797451 892644828 /nfs/dbraw/zinc/64/48/28/892644828.db2.gz WYALRAJPROVPIY-AWEZNQCLSA-N 0 3 375.856 3.807 20 5 GHBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000288333661 913733549 /nfs/dbraw/zinc/73/35/49/913733549.db2.gz JNVLQNKCAHWKMH-NVXWUHKLSA-N 0 3 375.472 3.792 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000288786088 913876531 /nfs/dbraw/zinc/87/65/31/913876531.db2.gz JQWMBCRSWNRFHA-TXEJJXNPSA-N 0 3 389.374 3.595 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000537299514 894728105 /nfs/dbraw/zinc/72/81/05/894728105.db2.gz GMSKLAXVEJSDCG-MJGOQNOKSA-N 0 3 397.475 3.624 20 5 GHBDHN O=C(CN[C@H](c1ccc(Cl)cc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000302912444 914053525 /nfs/dbraw/zinc/05/35/25/914053525.db2.gz QRHMFZOPFDCTKV-FQEVSTJZSA-N 0 3 385.851 3.878 20 5 GHBDHN O=C(Nc1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000818979291 896299832 /nfs/dbraw/zinc/29/98/32/896299832.db2.gz JTJJSSICUHNXQA-OAQYLSRUSA-N 0 3 397.475 3.937 20 5 GHBDHN COc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000819016134 896351393 /nfs/dbraw/zinc/35/13/93/896351393.db2.gz VGNQJNBZDAPKCU-IBGZPJMESA-N 0 3 386.448 3.748 20 5 GHBDHN Cc1c([C@H](C)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nnn1-c1ccccc1 ZINC000567021167 896804931 /nfs/dbraw/zinc/80/49/31/896804931.db2.gz NEDSAMVBJOCBNJ-AWEZNQCLSA-N 0 3 390.447 3.859 20 5 GHBDHN CCC[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001185930476 914211258 /nfs/dbraw/zinc/21/12/58/914211258.db2.gz LCLOBOOYYLJZRI-SFHVURJKSA-N 0 3 379.464 3.733 20 5 GHBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000823996352 899345322 /nfs/dbraw/zinc/34/53/22/899345322.db2.gz AIJCTNPQEMHQCO-LBPRGKRZSA-N 0 3 382.869 3.545 20 5 GHBDHN COc1cc(CN(C)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000778945559 902039243 /nfs/dbraw/zinc/03/92/43/902039243.db2.gz CCFPEFALHUQNDN-UHFFFAOYSA-N 0 3 381.473 3.586 20 5 GHBDHN COc1cc(CN2[C@@H]3CC[C@H]2CC(O)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000126821351 902375496 /nfs/dbraw/zinc/37/54/96/902375496.db2.gz JXPWJMLZZNMFOW-YOFSQIOKSA-N 0 3 398.459 3.670 20 5 GHBDHN Cc1nn(CC2CC2)c(C)c1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875790 902478062 /nfs/dbraw/zinc/47/80/62/902478062.db2.gz CKQKXXDAKBMREX-JLTOFOAXSA-N 0 3 389.427 3.541 20 5 GHBDHN COc1cc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845873945 902478161 /nfs/dbraw/zinc/47/81/61/902478161.db2.gz FNOHASKKSUYYQK-KZULUSFZSA-N 0 3 377.368 3.715 20 5 GHBDHN CC1=NN(c2ccc(C(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])cc2)CC1 ZINC000845874986 902479502 /nfs/dbraw/zinc/47/95/02/902479502.db2.gz KLRXODFXHZDPGA-AUUYWEPGSA-N 0 3 385.395 3.975 20 5 GHBDHN COc1cccc(CO[C@H](C)C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845880542 902484195 /nfs/dbraw/zinc/48/41/95/902484195.db2.gz ZYSHZESSTSYGNL-LPMFXHHGSA-N 0 3 391.395 3.689 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845881287 902485270 /nfs/dbraw/zinc/48/52/70/902485270.db2.gz LLRAVRSAYIUVHK-MPXAEWJHSA-N 0 3 393.333 3.823 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc2c(c1)NC(=O)C2(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845881848 902485290 /nfs/dbraw/zinc/48/52/90/902485290.db2.gz MKQDVLAZWFVZHN-PIGZYNQJSA-N 0 3 386.379 3.619 20 5 GHBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C)C2(CCCCC2)C1 ZINC000846946790 903338843 /nfs/dbraw/zinc/33/88/43/903338843.db2.gz KVWJBKVTSZZGRE-CQSZACIVSA-N 0 3 394.903 3.526 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000887699487 903508430 /nfs/dbraw/zinc/50/84/30/903508430.db2.gz BDXGTWAGOMNQPF-UHFFFAOYSA-N 0 3 396.491 3.914 20 5 GHBDHN COc1ccc(CN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000578520474 903931893 /nfs/dbraw/zinc/93/18/93/903931893.db2.gz ZXDQBPUIKXGZLR-IYARVYRRSA-N 0 3 386.448 3.615 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000779159895 904868625 /nfs/dbraw/zinc/86/86/25/904868625.db2.gz GLDGRJMBQNIRPM-GPXGYGPYSA-N 0 3 375.469 3.843 20 5 GHBDHN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(CN(C)C)ccc2C)cc1SC ZINC000177349722 906114288 /nfs/dbraw/zinc/11/42/88/906114288.db2.gz ZOCHCVSFDWHXMP-UHFFFAOYSA-N 0 3 389.477 3.948 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CCOc3ccc(F)cc32)c1F ZINC001173176308 906253776 /nfs/dbraw/zinc/25/37/76/906253776.db2.gz HMCYWFJFOQEKLT-NHYWBVRUSA-N 0 3 378.375 3.926 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001173220849 906298364 /nfs/dbraw/zinc/29/83/64/906298364.db2.gz DAQCICMIRNQVCO-HOTGVXAUSA-N 0 3 377.485 3.857 20 5 GHBDHN COc1cccc(Cn2cnc(CN[C@H](C)Cc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC001173224476 906307715 /nfs/dbraw/zinc/30/77/15/906307715.db2.gz NFMCQCKWFJKWMW-MRXNPFEDSA-N 0 3 380.448 3.569 20 5 GHBDHN CCOC(=O)c1coc(C2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173232568 906318380 /nfs/dbraw/zinc/31/83/80/906318380.db2.gz RODBMOQCFWHRHK-AWEZNQCLSA-N 0 3 387.436 3.570 20 5 GHBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000191093211 906598482 /nfs/dbraw/zinc/59/84/82/906598482.db2.gz NNXVLYKBCDHEAJ-UHFFFAOYSA-N 0 3 386.452 3.508 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181208866 906945105 /nfs/dbraw/zinc/94/51/05/906945105.db2.gz LIPYGKQQWQKOTB-JXFKEZNVSA-N 0 3 383.448 3.599 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000773636367 908507286 /nfs/dbraw/zinc/50/72/86/908507286.db2.gz VQPNFPBNLKGJCL-UHFFFAOYSA-N 0 3 375.469 3.818 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1C ZINC001178224305 908963047 /nfs/dbraw/zinc/96/30/47/908963047.db2.gz GPBRITRJGLEDTK-LRDDRELGSA-N 0 3 389.839 3.863 20 5 GHBDHN O=C(c1ccoc1)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290976333 914893894 /nfs/dbraw/zinc/89/38/94/914893894.db2.gz YDJLEQUWRNYGJC-UHFFFAOYSA-N 0 3 398.246 3.889 20 5 GHBDHN O=C(CN[C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775422660 917694714 /nfs/dbraw/zinc/69/47/14/917694714.db2.gz YDZZMMZOKSMCGB-KUHUBIRLSA-N 0 3 389.839 3.554 20 5 GHBDHN CCOc1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC001191909329 918266483 /nfs/dbraw/zinc/26/64/83/918266483.db2.gz GGTWIVJJEJPXER-HXUWFJFHSA-N 0 3 393.484 3.777 20 5 GHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccsc1 ZINC000298790277 920930394 /nfs/dbraw/zinc/93/03/94/920930394.db2.gz RTKCMOYHVFTFMC-SFHVURJKSA-N 0 3 388.493 3.607 20 5 GHBDHN O=C(CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000409864256 925079489 /nfs/dbraw/zinc/07/94/89/925079489.db2.gz LUEDUCCOOMIBPT-QGZVFWFLSA-N 0 3 397.431 3.532 20 5 GHBDHN COc1ccc(NC(=O)CCN2CC[C@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411294546 926280235 /nfs/dbraw/zinc/28/02/35/926280235.db2.gz IFDMOTJZAFAXFP-KSSFIOAISA-N 0 3 387.436 3.998 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000411304701 926287251 /nfs/dbraw/zinc/28/72/51/926287251.db2.gz WRHPJFBFYJSULA-PBHICJAKSA-N 0 3 387.436 3.998 20 5 GHBDHN COC(=O)NC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000827933674 926309666 /nfs/dbraw/zinc/30/96/66/926309666.db2.gz BFJBJNRYINWHHE-UHFFFAOYSA-N 0 3 375.450 3.644 20 5 GHBDHN COC(=O)N1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000726607901 926761130 /nfs/dbraw/zinc/76/11/30/926761130.db2.gz XCOAWOWCXJLOEI-GFCCVEGCSA-N 0 3 393.827 3.829 20 5 GHBDHN Cc1nn(-c2ccncc2)cc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000544349080 929079867 /nfs/dbraw/zinc/07/98/67/929079867.db2.gz PUPMRHYXMJZQIL-UHFFFAOYSA-N 0 3 393.447 3.527 20 5 GHBDHN CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757108192 929648189 /nfs/dbraw/zinc/64/81/89/929648189.db2.gz DSEGFMLHNKFQGN-JKSUJKDBSA-N 0 3 393.484 3.599 20 5 GHBDHN CC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757111459 929649781 /nfs/dbraw/zinc/64/97/81/929649781.db2.gz QQSKKNRYSQFXKG-MAUKXSAKSA-N 0 3 393.484 3.599 20 5 GHBDHN CCOc1cc(NC2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC000470207854 930453631 /nfs/dbraw/zinc/45/36/31/930453631.db2.gz XANKFMANABXDPC-WJDWOHSUSA-N 0 3 397.479 3.763 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000759751206 930476354 /nfs/dbraw/zinc/47/63/54/930476354.db2.gz WJQDBJIRLPXKSA-UHFFFAOYSA-N 0 3 382.464 3.817 20 5 GHBDHN O=[N+]([O-])c1cnc(N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)nc1 ZINC000546887807 930511495 /nfs/dbraw/zinc/51/14/95/930511495.db2.gz VPYUNZGSXSVCMN-UHFFFAOYSA-N 0 3 396.278 3.794 20 5 GHBDHN C[C@@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000783916810 931715508 /nfs/dbraw/zinc/71/55/08/931715508.db2.gz KUYZOIOVUIVTAW-CQSZACIVSA-N 0 3 377.510 3.844 20 5 GHBDHN NC(=O)c1ccc(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000784483675 931910665 /nfs/dbraw/zinc/91/06/65/931910665.db2.gz JZYGVVLVXDJBQI-CQSZACIVSA-N 0 3 393.365 3.702 20 5 GHBDHN O=C(CCNCc1cc(F)cc(Br)c1)Nc1ccccc1[N+](=O)[O-] ZINC000558572772 932080813 /nfs/dbraw/zinc/08/08/13/932080813.db2.gz OOSHPUXTCUSWCJ-UHFFFAOYSA-N 0 3 396.216 3.615 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@](C)(CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000798949102 932833204 /nfs/dbraw/zinc/83/32/04/932833204.db2.gz JRYIYTPGHJONAG-SFHVURJKSA-N 0 3 383.876 3.985 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001625786238 1014160471 /nfs/dbraw/zinc/16/04/71/1014160471.db2.gz DIRLSPYVRGVMCF-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544845723 1015092334 /nfs/dbraw/zinc/09/23/34/1015092334.db2.gz JFVWGWKCZWIDBK-KRWDZBQOSA-N 0 3 386.427 3.862 20 5 GHBDHN COC(C)(C)CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000469087615 1016452535 /nfs/dbraw/zinc/45/25/35/1016452535.db2.gz UFNJEIKNJRQXRM-UHFFFAOYSA-N 0 3 375.391 3.551 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545828503 1016467335 /nfs/dbraw/zinc/46/73/35/1016467335.db2.gz YAMKYKLJNKPHBU-DOTOQJQBSA-N 0 3 399.466 3.963 20 5 GHBDHN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000577345042 1020171829 /nfs/dbraw/zinc/17/18/29/1020171829.db2.gz YQCVBKDRGGRDIO-QGZVFWFLSA-N 0 3 397.479 3.661 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000834877903 1021599040 /nfs/dbraw/zinc/59/90/40/1021599040.db2.gz NHXXPRWEJOEVMI-IHRRRGAJSA-N 0 3 381.473 3.946 20 5 GHBDHN Cc1c([C@@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)cccc1[N+](=O)[O-] ZINC000834905571 1021658096 /nfs/dbraw/zinc/65/80/96/1021658096.db2.gz ZLSQRCGUDPEFOZ-HZPDHXFCSA-N 0 3 393.484 3.580 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(NCC3CN(Cc4ccccc4)C3)c2c1 ZINC001156399924 1033018109 /nfs/dbraw/zinc/01/81/09/1033018109.db2.gz CXKQBVIQEFCCNJ-UHFFFAOYSA-N 0 3 383.839 3.735 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000754095579 1022477677 /nfs/dbraw/zinc/47/76/77/1022477677.db2.gz WPVSXYYVKYEZHQ-ICFOKQHNSA-N 0 3 379.460 3.563 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000754123446 1022498452 /nfs/dbraw/zinc/49/84/52/1022498452.db2.gz AVGJGKOLOHMHSY-ISLYRVAYSA-N 0 3 381.476 3.631 20 5 GHBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1-n1cncc1CNCc1ccccc1 ZINC001156482917 1033058815 /nfs/dbraw/zinc/05/88/15/1033058815.db2.gz ZZKQPLIHGCAFNJ-UHFFFAOYSA-N 0 3 394.822 3.667 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000754272810 1022575780 /nfs/dbraw/zinc/57/57/80/1022575780.db2.gz ZBUDWASRPXPQSX-PEZBUJJGSA-N 0 3 385.439 3.728 20 5 GHBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@H](c1ccccc1)N1CCCC1 ZINC001156529261 1033087051 /nfs/dbraw/zinc/08/70/51/1033087051.db2.gz FGJIUIVVLQIHEE-GFCCVEGCSA-N 0 3 382.251 3.941 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1F ZINC000832320360 1025442176 /nfs/dbraw/zinc/44/21/76/1025442176.db2.gz SFHFCMLONOKLDC-KZULUSFZSA-N 0 3 377.391 3.603 20 5 GHBDHN O=[N+]([O-])c1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1Br ZINC000839582150 1026079276 /nfs/dbraw/zinc/07/92/76/1026079276.db2.gz XSUDKWPDCOVIJU-MAZHCROVSA-N 0 3 381.270 3.795 20 5 GHBDHN CN1CC[C@H](NCc2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000839593990 1026094650 /nfs/dbraw/zinc/09/46/50/1026094650.db2.gz OTBOCUZBDBJDFS-MAUKXSAKSA-N 0 3 390.281 3.892 20 5 GHBDHN Cc1cc(NCC2CN(Cc3ccccc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001165442951 1026728981 /nfs/dbraw/zinc/72/89/81/1026728981.db2.gz VUUGFBWHLPZCIB-UHFFFAOYSA-N 0 3 389.459 3.904 20 5 GHBDHN CNc1c(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC001141780580 1027256769 /nfs/dbraw/zinc/25/67/69/1027256769.db2.gz SZKVYJUEWHCCEO-HXUWFJFHSA-N 0 3 398.507 3.868 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCC4(CCOCC4)CO3)o2)cc1 ZINC001203511445 1027391932 /nfs/dbraw/zinc/39/19/32/1027391932.db2.gz XXTRMOUQAYGXBJ-GOSISDBHSA-N 0 3 386.448 3.920 20 5 GHBDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223871223 1030784180 /nfs/dbraw/zinc/78/41/80/1030784180.db2.gz XODNWGYGBOHYFS-ROUUACIJSA-N 0 3 396.491 3.819 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1ncc(Br)cc1[N+](=O)[O-] ZINC001225750041 1031579223 /nfs/dbraw/zinc/57/92/23/1031579223.db2.gz JTDFDOIZUTYPTN-LRDDRELGSA-N 0 3 392.253 3.652 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCOCCN(C)C(=O)OC(C)(C)C ZINC001206697297 1033948298 /nfs/dbraw/zinc/94/82/98/1033948298.db2.gz UBAJGOULMUFKOQ-UHFFFAOYSA-N 0 3 395.500 3.527 20 5 GHBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230495 1033956365 /nfs/dbraw/zinc/95/63/65/1033956365.db2.gz STHUENTYXZBYML-QGZVFWFLSA-N 0 3 381.436 3.546 20 5 GHBDHN C[C@H](N)c1ccn(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)n1 ZINC001158356542 1034041452 /nfs/dbraw/zinc/04/14/52/1034041452.db2.gz UGZBJNLMESBRNI-VIFPVBQESA-N 0 3 394.769 3.519 20 5 GHBDHN C[C@H](N)c1ccn(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)n1 ZINC001158356679 1034041514 /nfs/dbraw/zinc/04/15/14/1034041514.db2.gz YTBIZMZDELYDJX-VIFPVBQESA-N 0 3 394.769 3.519 20 5 GHBDHN C[C@@H](N)c1ccn(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)n1 ZINC001158356678 1034042011 /nfs/dbraw/zinc/04/20/11/1034042011.db2.gz YTBIZMZDELYDJX-SECBINFHSA-N 0 3 394.769 3.519 20 5 GHBDHN NCc1cc(-c2ccncc2)nn1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001160344459 1034945593 /nfs/dbraw/zinc/94/55/93/1034945593.db2.gz NQGPVKVCMDOOQI-UHFFFAOYSA-N 0 3 380.795 3.503 20 5 GHBDHN COc1cccc(O[C@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232227676 1035172804 /nfs/dbraw/zinc/17/28/04/1035172804.db2.gz LBPAFXZWCUNPBH-IBGZPJMESA-N 0 3 386.455 3.840 20 5 GHBDHN Cc1nc(Cl)nc(NCC2CCN(Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC001161193663 1035174891 /nfs/dbraw/zinc/17/48/91/1035174891.db2.gz WSAUKBFZRBGGBR-UHFFFAOYSA-N 0 3 393.850 3.810 20 5 GHBDHN CCOc1ccc([C@H](C)NCc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001253957152 1039921797 /nfs/dbraw/zinc/92/17/97/1039921797.db2.gz WBROAUPVVZYPHO-KRWDZBQOSA-N 0 3 398.507 3.596 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001254559135 1040330865 /nfs/dbraw/zinc/33/08/65/1040330865.db2.gz IVUCBYCZZJDQOX-OAHLLOKOSA-N 0 3 377.485 3.857 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254563845 1040338898 /nfs/dbraw/zinc/33/88/98/1040338898.db2.gz FCHQDQYNZXUTLD-JZXOWHBKSA-N 0 3 389.496 3.857 20 5 GHBDHN COc1cc(N2CCC(N[C@H](C)c3csc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC001256084699 1041515056 /nfs/dbraw/zinc/51/50/56/1041515056.db2.gz GDBOSEHNZVYQJI-GFCCVEGCSA-N 0 3 376.482 3.688 20 5 GHBDHN COc1cc(N2CCC(N(C)Cc3nc4ccccc4o3)CC2)ccc1[N+](=O)[O-] ZINC001256100542 1041526856 /nfs/dbraw/zinc/52/68/56/1041526856.db2.gz KFVKUHZSGSXTSA-UHFFFAOYSA-N 0 3 396.447 3.845 20 5 GHBDHN CC[C@@H]1CN(C)c2ccccc2CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001307524529 1049370926 /nfs/dbraw/zinc/37/09/26/1049370926.db2.gz KWLAUHHUEMOXQO-QGZVFWFLSA-N 0 3 385.464 3.713 20 5 GHBDHN CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCC(=O)N(C)C1 ZINC001329531528 1050830794 /nfs/dbraw/zinc/83/07/94/1050830794.db2.gz USJIGIUCKLVYLV-CYBMUJFWSA-N 0 3 377.828 3.561 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)N2CCCC2)cc1 ZINC001318835538 1054907768 /nfs/dbraw/zinc/90/77/68/1054907768.db2.gz DWJFWRRQKZYDPN-OAQYLSRUSA-N 0 3 394.475 3.766 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](CO)CC2CCOCC2)c2ccccc2)c1 ZINC001320865211 1055992097 /nfs/dbraw/zinc/99/20/97/1055992097.db2.gz YPHFVGUVEWYNSZ-AVRDEDQJSA-N 0 3 384.476 3.699 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1 ZINC001354517180 1056733957 /nfs/dbraw/zinc/73/39/57/1056733957.db2.gz CFGDTXONBSHMEP-OAHLLOKOSA-N 0 3 383.473 3.942 20 5 GHBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H](c1cccs1)N1CCCC1 ZINC001440672925 1058573504 /nfs/dbraw/zinc/57/35/04/1058573504.db2.gz CQEQHCDWZISTJK-MRXNPFEDSA-N 0 3 393.896 3.806 20 5 GHBDHN CC(C)(C)CCN1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001442068533 1058911126 /nfs/dbraw/zinc/91/11/26/1058911126.db2.gz QXFXBOUHIMDCDM-UHFFFAOYSA-N 0 3 381.904 3.761 20 5 GHBDHN CCC(CC)Nc1ccncc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001450363350 1060581314 /nfs/dbraw/zinc/58/13/14/1060581314.db2.gz FSMMPVDSEVDPAS-UHFFFAOYSA-N 0 3 397.479 3.865 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC001348257064 1062968781 /nfs/dbraw/zinc/96/87/81/1062968781.db2.gz PDWDPRAAMSFMAR-SJORKVTESA-N 0 3 385.247 3.648 20 5 GHBDHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001458468574 1063829296 /nfs/dbraw/zinc/82/92/96/1063829296.db2.gz JZZOZGCVUSBVHO-RBSFLKMASA-N 0 3 385.493 3.792 20 5 GHBDHN Cc1cc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001466026588 1065959743 /nfs/dbraw/zinc/95/97/43/1065959743.db2.gz HCDPMFVJSITETQ-INIZCTEOSA-N 0 3 382.464 3.889 20 5 GHBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001358423374 1067519702 /nfs/dbraw/zinc/51/97/02/1067519702.db2.gz BUJXACWCTNAJMH-OAHLLOKOSA-N 0 3 387.867 3.700 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(Cc3cc(F)cc(F)c3)CC2)cc1 ZINC001460100865 1068782686 /nfs/dbraw/zinc/78/26/86/1068782686.db2.gz DWPKZEZUIQDKRJ-HXUWFJFHSA-N 0 3 376.403 3.861 20 5 GHBDHN Cc1cccc(C[C@@]2(C)CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001460551680 1068993931 /nfs/dbraw/zinc/99/39/31/1068993931.db2.gz BLALOODDWWNSQS-HSZRJFAPSA-N 0 3 393.487 3.890 20 5 GHBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC001471632855 1073164842 /nfs/dbraw/zinc/16/48/42/1073164842.db2.gz PSXGNNHKTMWYMC-SFHVURJKSA-N 0 3 396.491 3.612 20 5 GHBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)[C@@H]1OC ZINC001473448337 1073968318 /nfs/dbraw/zinc/96/83/18/1073968318.db2.gz TWHDLCUAJKNIFD-LQAWEQHXSA-N 0 3 383.876 3.616 20 5 GHBDHN Cc1cccc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC001473702749 1074097461 /nfs/dbraw/zinc/09/74/61/1074097461.db2.gz OSCCVQZCKHYXGB-IBGZPJMESA-N 0 3 376.478 3.664 20 5 GHBDHN CN1CCCC(C)(C)[C@@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474495735 1074432380 /nfs/dbraw/zinc/43/23/80/1074432380.db2.gz BTNZFCGJUNXEJL-LBPRGKRZSA-N 0 3 376.320 3.629 20 5 GHBDHN CC[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820925372 607018764 /nfs/dbraw/zinc/01/87/64/607018764.db2.gz IDZCPSFETOAUHH-GOSISDBHSA-N 0 3 398.492 3.749 20 5 GHBDHN CC[C@@H]([NH2+]CCSCc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820925372 607018766 /nfs/dbraw/zinc/01/87/66/607018766.db2.gz IDZCPSFETOAUHH-GOSISDBHSA-N 0 3 398.492 3.749 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825127512 608493133 /nfs/dbraw/zinc/49/31/33/608493133.db2.gz NFANBYAHDRYGBB-BBRMVZONSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825127512 608493134 /nfs/dbraw/zinc/49/31/34/608493134.db2.gz NFANBYAHDRYGBB-BBRMVZONSA-N 0 3 398.492 3.996 20 5 GHBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc12 ZINC001164996628 722203391 /nfs/dbraw/zinc/20/33/91/722203391.db2.gz UNTLAVRXSZSNED-NRFANRHFSA-N 0 3 395.438 3.855 20 5 GHBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000557566072 834363393 /nfs/dbraw/zinc/36/33/93/834363393.db2.gz VLMHJAMMKAAKQK-OAHLLOKOSA-N 0 3 385.489 3.818 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000583584131 834694058 /nfs/dbraw/zinc/69/40/58/834694058.db2.gz BGRUHUIVEVDSMK-GDZNZVCISA-N 0 3 377.416 3.676 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H](CCO)C(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000161824375 834858868 /nfs/dbraw/zinc/85/88/68/834858868.db2.gz BGDBZYGVAZHHPS-YLJYHZDGSA-N 0 3 385.464 3.580 20 5 GHBDHN C[C@@H]1CN(CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000432858683 844055661 /nfs/dbraw/zinc/05/56/61/844055661.db2.gz KJQTYITWKCPHFN-QGZVFWFLSA-N 0 3 397.475 3.739 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000500861374 844095789 /nfs/dbraw/zinc/09/57/89/844095789.db2.gz JLJXDQNVZRVCOB-VQIMIIECSA-N 0 3 392.459 3.501 20 5 GHBDHN CCC[C@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000179513453 835849440 /nfs/dbraw/zinc/84/94/40/835849440.db2.gz DGXQOUHVOMMIQK-YWZLYKJASA-N 0 3 380.448 3.824 20 5 GHBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000472432632 836272503 /nfs/dbraw/zinc/27/25/03/836272503.db2.gz PYPURMSJFQAOGF-ZDUSSCGKSA-N 0 3 386.374 3.520 20 5 GHBDHN COc1ccc(F)cc1[C@@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179932107 836386110 /nfs/dbraw/zinc/38/61/10/836386110.db2.gz OUNYCFWJPODSMP-CYBMUJFWSA-N 0 3 375.400 3.730 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000102691191 838185339 /nfs/dbraw/zinc/18/53/39/838185339.db2.gz WKIMIFXOCXYJNR-NRFANRHFSA-N 0 3 399.447 3.600 20 5 GHBDHN COc1cc(CNCC(C)(C)c2cccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414552953 838622813 /nfs/dbraw/zinc/62/28/13/838622813.db2.gz DVJAQCXVXLIOPW-UHFFFAOYSA-N 0 3 395.406 3.710 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000471520438 838677304 /nfs/dbraw/zinc/67/73/04/838677304.db2.gz FDFXUAIVTGQVGF-DOTOQJQBSA-N 0 3 375.856 3.543 20 5 GHBDHN CCN(CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000275789617 838821780 /nfs/dbraw/zinc/82/17/80/838821780.db2.gz IWKYFTUWWLGEIZ-UHFFFAOYSA-N 0 3 385.414 3.586 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000104706314 838899591 /nfs/dbraw/zinc/89/95/91/838899591.db2.gz VCFRIKSRLYDYFE-FQEVSTJZSA-N 0 3 387.411 3.812 20 5 GHBDHN C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1=CCN(C)CC1 ZINC000275911985 839781210 /nfs/dbraw/zinc/78/12/10/839781210.db2.gz DTVXGNCQIHLFGH-LBPRGKRZSA-N 0 3 397.425 3.752 20 5 GHBDHN O=C(c1cccc(CN2CCCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000412161378 839851634 /nfs/dbraw/zinc/85/16/34/839851634.db2.gz AVSXZIYGFSEANV-UHFFFAOYSA-N 0 3 379.460 3.779 20 5 GHBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000431990198 840497820 /nfs/dbraw/zinc/49/78/20/840497820.db2.gz DYQQOBKLPHIXDG-INIZCTEOSA-N 0 3 384.480 3.650 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467220983 840540310 /nfs/dbraw/zinc/54/03/10/840540310.db2.gz YOPZWVZTPQRSGH-CQSZACIVSA-N 0 3 390.871 3.568 20 5 GHBDHN COc1cccc([C@@H]2[C@@H](NCc3cc([N+](=O)[O-])ccc3OC)CCN2C2CC2)c1 ZINC000549476284 841062853 /nfs/dbraw/zinc/06/28/53/841062853.db2.gz DFJMQBULTQQUJV-RBBKRZOGSA-N 0 3 397.475 3.680 20 5 GHBDHN CN(C)[C@@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3Br)cccc21 ZINC000432918061 844626419 /nfs/dbraw/zinc/62/64/19/844626419.db2.gz NPHAQWARTAWYEJ-CQSZACIVSA-N 0 3 393.241 3.881 20 5 GHBDHN CCc1cc(N2CCC(Nc3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)ncn1 ZINC000302106989 861207108 /nfs/dbraw/zinc/20/71/08/861207108.db2.gz XWQRUYAKVVXFRJ-UHFFFAOYSA-N 0 3 392.463 3.885 20 5 GHBDHN CSc1cccc(N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C2CCN(C)CC2)c1 ZINC000112247712 842273955 /nfs/dbraw/zinc/27/39/55/842273955.db2.gz IKYMDOXOCFXPAI-UHFFFAOYSA-N 0 3 399.516 3.987 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c2ncccc12 ZINC000302783078 861362693 /nfs/dbraw/zinc/36/26/93/861362693.db2.gz KTEUKEYRMDCYDX-SFHVURJKSA-N 0 3 392.459 3.846 20 5 GHBDHN COc1cc(CN(C)CCOc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000051472689 843220057 /nfs/dbraw/zinc/22/00/57/843220057.db2.gz JGBKULWAKVMOBZ-UHFFFAOYSA-N 0 3 382.363 3.716 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000568565619 843330937 /nfs/dbraw/zinc/33/09/37/843330937.db2.gz AGXOCSCCVMBHDC-IEBWSBKVSA-N 0 3 375.856 3.792 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429894290 843847860 /nfs/dbraw/zinc/84/78/60/843847860.db2.gz CGISYONWADVJPH-SJLPKXTDSA-N 0 3 381.476 3.824 20 5 GHBDHN C[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573773269 844887705 /nfs/dbraw/zinc/88/77/05/844887705.db2.gz XTWDLFDXFAHCDJ-IBGZPJMESA-N 0 3 395.503 3.865 20 5 GHBDHN CSc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000513293304 845193291 /nfs/dbraw/zinc/19/32/91/845193291.db2.gz DYUVZXRUGWEBGJ-KRWDZBQOSA-N 0 3 385.489 3.711 20 5 GHBDHN C[C@H](CN1CCCC1=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000513643057 846205463 /nfs/dbraw/zinc/20/54/63/846205463.db2.gz MJGHHTDUVSQNCW-CQSZACIVSA-N 0 3 387.411 3.627 20 5 GHBDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502581089 846226027 /nfs/dbraw/zinc/22/60/27/846226027.db2.gz WLDFENFQZKUPIT-CUOATXAZSA-N 0 3 391.802 3.715 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1c(Cl)cccc1Cl ZINC000511071999 846274806 /nfs/dbraw/zinc/27/48/06/846274806.db2.gz CLBVEYZAAWBVOW-AWEZNQCLSA-N 0 3 399.274 3.816 20 5 GHBDHN O=[N+]([O-])c1cccc(CN(C[C@H]2CN(Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551387045 846357844 /nfs/dbraw/zinc/35/78/44/846357844.db2.gz MXKQZEPJBCNALV-HSZRJFAPSA-N 0 3 395.503 3.850 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000072072794 846359517 /nfs/dbraw/zinc/35/95/17/846359517.db2.gz XTXSLSSNQFFPCO-UHFFFAOYSA-N 0 3 381.476 3.684 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000511090197 846596427 /nfs/dbraw/zinc/59/64/27/846596427.db2.gz IEIHJBSQCRXYRI-MRXNPFEDSA-N 0 3 398.381 3.528 20 5 GHBDHN C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000513785184 847554384 /nfs/dbraw/zinc/55/43/84/847554384.db2.gz HSRPCYYJIZLSEJ-JZXOWHBKSA-N 0 3 383.496 3.975 20 5 GHBDHN CCC[C@@H](NCCCS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000158669207 847861873 /nfs/dbraw/zinc/86/18/73/847861873.db2.gz DAEPUCWZCOYFJV-LJQANCHMSA-N 0 3 376.478 3.890 20 5 GHBDHN C[C@@H](C(=O)N(c1ccccc1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000612461223 848619639 /nfs/dbraw/zinc/61/96/39/848619639.db2.gz VHXLVVWUBGVCHL-OAHLLOKOSA-N 0 3 385.439 3.965 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000162950470 849737148 /nfs/dbraw/zinc/73/71/48/849737148.db2.gz UJMMMSANWQXCTB-JKSUJKDBSA-N 0 3 397.475 3.972 20 5 GHBDHN CN(C)C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000514800960 850307721 /nfs/dbraw/zinc/30/77/21/850307721.db2.gz UAHIHYKEMQZWKB-INIZCTEOSA-N 0 3 380.807 3.812 20 5 GHBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000504894584 850422994 /nfs/dbraw/zinc/42/29/94/850422994.db2.gz MSTGYIOMXCOPNQ-ZDUSSCGKSA-N 0 3 391.855 3.728 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCc1ccccc1 ZINC000504906583 850438544 /nfs/dbraw/zinc/43/85/44/850438544.db2.gz ZYBXVBGXEQEURH-RDJZCZTQSA-N 0 3 387.505 3.760 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000439900884 850571374 /nfs/dbraw/zinc/57/13/74/850571374.db2.gz MPHLZLKLOFOLKU-GOSISDBHSA-N 0 3 398.463 3.732 20 5 GHBDHN C[S@@](=O)C1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000435747796 850812884 /nfs/dbraw/zinc/81/28/84/850812884.db2.gz KUFUKEWHAOELIJ-HHHXNRCGSA-N 0 3 392.452 3.917 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435815194 850873092 /nfs/dbraw/zinc/87/30/92/850873092.db2.gz DFLWFFAXBLAYOD-UHFFFAOYSA-N 0 3 385.467 3.673 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCCC[C@H]3CN3CCOCC3)o2)c1 ZINC000514099625 851263251 /nfs/dbraw/zinc/26/32/51/851263251.db2.gz PGUFJFPHGBRTJU-IBGZPJMESA-N 0 3 385.464 3.542 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCCC[C@@H]3CN3CCOCC3)o2)c1 ZINC000514099626 851263510 /nfs/dbraw/zinc/26/35/10/851263510.db2.gz PGUFJFPHGBRTJU-LJQANCHMSA-N 0 3 385.464 3.542 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000436277514 851420900 /nfs/dbraw/zinc/42/09/00/851420900.db2.gz YKRBNYZOVILULB-RTBURBONSA-N 0 3 377.485 3.805 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000323768125 852339208 /nfs/dbraw/zinc/33/92/08/852339208.db2.gz YJDPAJNCHHOOKB-HNNXBMFYSA-N 0 3 387.867 3.842 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000150801544 852406300 /nfs/dbraw/zinc/40/63/00/852406300.db2.gz DSWAUKKMLOHEIZ-CVEARBPZSA-N 0 3 393.484 3.599 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489886490 852624594 /nfs/dbraw/zinc/62/45/94/852624594.db2.gz MTOWLEBMUTUXCB-QGZVFWFLSA-N 0 3 396.491 3.712 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000438952370 853124830 /nfs/dbraw/zinc/12/48/30/853124830.db2.gz XOVPPRYMSDCTNL-WMLDXEAASA-N 0 3 387.867 3.807 20 5 GHBDHN COC[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000516919232 853157910 /nfs/dbraw/zinc/15/79/10/853157910.db2.gz DVGXPVVXMJEVCD-SCLBCKFNSA-N 0 3 391.855 3.943 20 5 GHBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517009351 853250798 /nfs/dbraw/zinc/25/07/98/853250798.db2.gz OTJMVMWWYBQNOO-JKSUJKDBSA-N 0 3 377.488 3.532 20 5 GHBDHN COc1cc(CNCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491032571 853411397 /nfs/dbraw/zinc/41/13/97/853411397.db2.gz BQSPAGKOYXBUQC-UHFFFAOYSA-N 0 3 384.354 3.719 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNC3(Cc4cccc(F)c4)CCOCC3)nc2c1 ZINC000590195952 855318005 /nfs/dbraw/zinc/31/80/05/855318005.db2.gz AJKQEDORIXIYND-UHFFFAOYSA-N 0 3 385.395 3.757 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553818628 855474600 /nfs/dbraw/zinc/47/46/00/855474600.db2.gz BCDGMGAYTNEZIO-PXNSSMCTSA-N 0 3 396.491 3.614 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H]2c3ccccc3CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474001962 855909369 /nfs/dbraw/zinc/90/93/69/855909369.db2.gz OSQGAECQABGPBC-NYHFZMIOSA-N 0 3 398.459 3.950 20 5 GHBDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026712450 856217709 /nfs/dbraw/zinc/21/77/09/856217709.db2.gz WZKYMHHTZWMDIN-AWEZNQCLSA-N 0 3 385.247 3.773 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@H](O)CC[C@@H](O)c2ccccc2)cc(C(F)(F)F)c1 ZINC000905237687 856232679 /nfs/dbraw/zinc/23/26/79/856232679.db2.gz JQSZMYGCLOCLNS-QZTJIDSGSA-N 0 3 398.381 3.578 20 5 GHBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)[C@@H]2C1 ZINC000591803525 856286614 /nfs/dbraw/zinc/28/66/14/856286614.db2.gz VOXGJZHKNPXONZ-KBXCAEBGSA-N 0 3 389.521 3.796 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)n2)cc1 ZINC000280976528 862787352 /nfs/dbraw/zinc/78/73/52/862787352.db2.gz KYDOHSHDUHBOPE-RCCFBDPRSA-N 0 3 386.452 3.550 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CCO)c3ccccc3)cs2)c1 ZINC000172685099 856618563 /nfs/dbraw/zinc/61/85/63/856618563.db2.gz ZPLBBBXKZGFBGX-KRWDZBQOSA-N 0 3 383.473 3.974 20 5 GHBDHN Cc1ccc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CCC2)cc1 ZINC000427879699 856815352 /nfs/dbraw/zinc/81/53/52/856815352.db2.gz SXXJFHRMWOEYQP-HXUWFJFHSA-N 0 3 388.489 3.808 20 5 GHBDHN C[C@H](NC[C@H](O)COc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173351881 856877800 /nfs/dbraw/zinc/87/78/00/856877800.db2.gz LCZJGHZUIYPSAN-FZMZJTMJSA-N 0 3 385.247 3.992 20 5 GHBDHN C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173389260 856902096 /nfs/dbraw/zinc/90/20/96/856902096.db2.gz NCYIXRQJHYZPJE-HOTGVXAUSA-N 0 3 386.471 3.898 20 5 GHBDHN CC(C)N(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592694876 857028168 /nfs/dbraw/zinc/02/81/68/857028168.db2.gz OJOGJYWWYARHBC-HXUWFJFHSA-N 0 3 381.476 3.649 20 5 GHBDHN CSc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000015564573 857175074 /nfs/dbraw/zinc/17/50/74/857175074.db2.gz ACYJKROADAHOGP-UHFFFAOYSA-N 0 3 385.489 3.711 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2ccc(O)cc2)CC1 ZINC000041895979 857312335 /nfs/dbraw/zinc/31/23/35/857312335.db2.gz QJCQBQXWOFWECQ-UHFFFAOYSA-N 0 3 381.432 3.727 20 5 GHBDHN C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000521110512 857630161 /nfs/dbraw/zinc/63/01/61/857630161.db2.gz LRZUZPFYFAKCRU-SFHVURJKSA-N 0 3 395.503 3.896 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000439045777 858147415 /nfs/dbraw/zinc/14/74/15/858147415.db2.gz ULHZGHPGRQSBFI-NRFANRHFSA-N 0 3 399.491 3.654 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000594503224 858195493 /nfs/dbraw/zinc/19/54/93/858195493.db2.gz HWUJXDMZCNFVES-SUMWQHHRSA-N 0 3 396.365 3.630 20 5 GHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000059287207 858279849 /nfs/dbraw/zinc/27/98/49/858279849.db2.gz YPPICSAGIICKJC-OAQYLSRUSA-N 0 3 395.503 3.727 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)N1CCc2sccc2C1 ZINC000595007171 858364260 /nfs/dbraw/zinc/36/42/60/858364260.db2.gz KKEWBBQCXKWODP-UONOGXRCSA-N 0 3 375.494 3.762 20 5 GHBDHN CC(C)(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@]1(O)CCCOC1 ZINC000595107304 858407500 /nfs/dbraw/zinc/40/75/00/858407500.db2.gz XCINIJFZEVYXMP-IRLDBZIGSA-N 0 3 384.476 3.842 20 5 GHBDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000121071959 858414210 /nfs/dbraw/zinc/41/42/10/858414210.db2.gz VMQUKOOHPGJRTR-CXAGYDPISA-N 0 3 387.436 3.680 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000595778146 858684067 /nfs/dbraw/zinc/68/40/67/858684067.db2.gz PTIPCBOWCJKSCC-HOTGVXAUSA-N 0 3 375.469 3.558 20 5 GHBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)N(C)C)cc1OC ZINC000499673946 858700252 /nfs/dbraw/zinc/70/02/52/858700252.db2.gz XENWYDLQDPHKKX-SFHVURJKSA-N 0 3 396.447 3.875 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522176983 858724033 /nfs/dbraw/zinc/72/40/33/858724033.db2.gz KLUAFMUXUBKWEL-HXUWFJFHSA-N 0 3 396.491 3.639 20 5 GHBDHN Cc1c(NC(=O)NC[C@H]2CCN2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000596889865 859128634 /nfs/dbraw/zinc/12/86/34/859128634.db2.gz ZHGBHFCFQUEHCE-GFCCVEGCSA-N 0 3 399.289 3.660 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000601620107 859381743 /nfs/dbraw/zinc/38/17/43/859381743.db2.gz GXQAOHNIJOEYNT-ZDUSSCGKSA-N 0 3 389.477 3.784 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000601623033 859385339 /nfs/dbraw/zinc/38/53/39/859385339.db2.gz XYEZSZNYLHRVCE-UHFFFAOYSA-N 0 3 395.362 3.519 20 5 GHBDHN Cc1ccc(CN2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560571 881440842 /nfs/dbraw/zinc/44/08/42/881440842.db2.gz IYEQYRSATPTDMQ-OAQYLSRUSA-N 0 3 398.507 3.792 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345748 881469108 /nfs/dbraw/zinc/46/91/08/881469108.db2.gz LKHMIKLGESYLAI-ZBFHGGJFSA-N 0 3 378.469 3.588 20 5 GHBDHN CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000161392777 859924689 /nfs/dbraw/zinc/92/46/89/859924689.db2.gz ZJHAZEQZIMLZOE-SFHVURJKSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc(CN2CCC[C@@H](O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552146397 860000843 /nfs/dbraw/zinc/00/08/43/860000843.db2.gz FDPTUWHOXWEJRB-LJQANCHMSA-N 0 3 386.448 3.529 20 5 GHBDHN COc1ccc(C[C@H](C)N2CC[C@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351238 881491718 /nfs/dbraw/zinc/49/17/18/881491718.db2.gz BQEXBIBMTIEIHJ-LSDHHAIUSA-N 0 3 378.469 3.588 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000154251828 860036557 /nfs/dbraw/zinc/03/65/57/860036557.db2.gz BLWBPFQKPFXOLX-YJBOKZPZSA-N 0 3 389.496 3.825 20 5 GHBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000602791241 860295460 /nfs/dbraw/zinc/29/54/60/860295460.db2.gz OXYTUQGVQVWOTK-UHFFFAOYSA-N 0 3 389.843 3.774 20 5 GHBDHN CC[C@@H](O)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000093687800 860331436 /nfs/dbraw/zinc/33/14/36/860331436.db2.gz ZITANJFFXJNMGG-OAQYLSRUSA-N 0 3 394.475 3.768 20 5 GHBDHN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000494352651 881580789 /nfs/dbraw/zinc/58/07/89/881580789.db2.gz RRFCCXPOAPEDCG-CABCVRRESA-N 0 3 380.452 3.755 20 5 GHBDHN CCN(C)c1ccccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000730109241 860875481 /nfs/dbraw/zinc/87/54/81/860875481.db2.gz OZCYYQUOPJADGA-UHFFFAOYSA-N 0 3 379.464 3.741 20 5 GHBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444160919 863568056 /nfs/dbraw/zinc/56/80/56/863568056.db2.gz PLMWJDZLAYUIEV-GOSISDBHSA-N 0 3 389.499 3.676 20 5 GHBDHN Cc1c(CNC(=O)N(CCN(C)C)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000480055729 863953716 /nfs/dbraw/zinc/95/37/16/863953716.db2.gz RRODVRCFLVSDNA-UHFFFAOYSA-N 0 3 376.501 3.557 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@H]2CCO[C@@H]2C2CC2)cc1OC ZINC000494444336 881733315 /nfs/dbraw/zinc/73/33/15/881733315.db2.gz LQGLZJKKZFRNTN-ZSOFBXJNSA-N 0 3 378.469 3.685 20 5 GHBDHN CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184184513 864189627 /nfs/dbraw/zinc/18/96/27/864189627.db2.gz KNOMUNUUDWTLMC-GOSISDBHSA-N 0 3 392.459 3.813 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(N2CCN(CC)CC2)c1 ZINC000475112862 864231861 /nfs/dbraw/zinc/23/18/61/864231861.db2.gz UFJCTHSUQXAQKP-UHFFFAOYSA-N 0 3 384.480 3.748 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000739490025 865744125 /nfs/dbraw/zinc/74/41/25/865744125.db2.gz OZAQDJOWDMZNBU-UHFFFAOYSA-N 0 3 396.491 3.653 20 5 GHBDHN COC(=O)COc1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000475561636 866298688 /nfs/dbraw/zinc/29/86/88/866298688.db2.gz CASGVUFHGOVVDM-IBGZPJMESA-N 0 3 396.443 3.799 20 5 GHBDHN CC1(C)CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000553374165 867286135 /nfs/dbraw/zinc/28/61/35/867286135.db2.gz FFJUFNBNUPOUHQ-UHFFFAOYSA-N 0 3 383.477 3.700 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N1Cc2ccccc2C1 ZINC000479554194 868043097 /nfs/dbraw/zinc/04/30/97/868043097.db2.gz RSWABCFVDQDHIY-QGZVFWFLSA-N 0 3 385.489 3.598 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCS[C@@H]4COCC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000539910000 870008907 /nfs/dbraw/zinc/00/89/07/870008907.db2.gz MHOJBMYKIDMDDE-VQIMIIECSA-N 0 3 390.461 3.570 20 5 GHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000016259312 870964785 /nfs/dbraw/zinc/96/47/85/870964785.db2.gz MOXPBLUVNRPZHW-IBGZPJMESA-N 0 3 385.489 3.640 20 5 GHBDHN COc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000195445025 882476726 /nfs/dbraw/zinc/47/67/26/882476726.db2.gz LAHHIRKXYXFESO-LJQANCHMSA-N 0 3 397.475 3.806 20 5 GHBDHN Cc1cc(NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181534570 871156959 /nfs/dbraw/zinc/15/69/59/871156959.db2.gz SHXFKUGALYSGPZ-QGZVFWFLSA-N 0 3 390.443 3.912 20 5 GHBDHN CC(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1 ZINC000540403160 871188116 /nfs/dbraw/zinc/18/81/16/871188116.db2.gz AFRLOTGWIQKAOF-NRFANRHFSA-N 0 3 392.455 3.888 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC3(CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000475708339 882485673 /nfs/dbraw/zinc/48/56/73/882485673.db2.gz FWHHGWHQTIZDNF-UHFFFAOYSA-N 0 3 376.453 3.693 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462204239 871806456 /nfs/dbraw/zinc/80/64/56/871806456.db2.gz PZIWCHHPHNXQFC-FUHIMQAGSA-N 0 3 396.491 3.784 20 5 GHBDHN Cn1nccc1N1CCC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000447557733 871853137 /nfs/dbraw/zinc/85/31/37/871853137.db2.gz LMFOZEUIWFQDCM-SIKLNZKXSA-N 0 3 391.475 3.676 20 5 GHBDHN Cc1cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000540747286 872092918 /nfs/dbraw/zinc/09/29/18/872092918.db2.gz FMVUQTPJWPVQQN-UHFFFAOYSA-N 0 3 382.464 3.686 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000767713384 872776973 /nfs/dbraw/zinc/77/69/73/872776973.db2.gz WVYAKEWBNOXLGA-LLVKDONJSA-N 0 3 388.773 3.606 20 5 GHBDHN Cc1cc(F)cc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000769510688 874118119 /nfs/dbraw/zinc/11/81/19/874118119.db2.gz BYPNKXNOWBLMBJ-LJQANCHMSA-N 0 3 387.455 3.929 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541682668 874120361 /nfs/dbraw/zinc/12/03/61/874120361.db2.gz VHYDFISFJMEALQ-GFCCVEGCSA-N 0 3 375.400 3.546 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000450371937 876346566 /nfs/dbraw/zinc/34/65/66/876346566.db2.gz LFAKDNUPXVOXPE-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850585640 877059115 /nfs/dbraw/zinc/05/91/15/877059115.db2.gz XRWDBIUWUGXXBJ-QLJPJBMISA-N 0 3 384.354 3.795 20 5 GHBDHN Cc1cc(F)ccc1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000428716805 877207093 /nfs/dbraw/zinc/20/70/93/877207093.db2.gz JEYIGJHPMCHVRW-GOSISDBHSA-N 0 3 388.439 3.662 20 5 GHBDHN CCOC(=O)c1ccnc(NC[C@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000609962067 877222071 /nfs/dbraw/zinc/22/20/71/877222071.db2.gz YZGUYZPGNCKYLS-GOSISDBHSA-N 0 3 398.463 3.724 20 5 GHBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492676572 877328748 /nfs/dbraw/zinc/32/87/48/877328748.db2.gz RLCZUMYDWYCKET-NVXWUHKLSA-N 0 3 377.485 3.510 20 5 GHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CN(C)C)c1 ZINC000064724228 877346091 /nfs/dbraw/zinc/34/60/91/877346091.db2.gz OTGFVVKTJMYFNG-LBPRGKRZSA-N 0 3 377.828 3.716 20 5 GHBDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610090202 877386842 /nfs/dbraw/zinc/38/68/42/877386842.db2.gz UVRQFQPPGFDDOF-KUHUBIRLSA-N 0 3 375.494 3.565 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cc(F)ccc1F ZINC000179772918 877990238 /nfs/dbraw/zinc/99/02/38/877990238.db2.gz IZCQXZJMVLRZCN-MRXNPFEDSA-N 0 3 393.390 3.951 20 5 GHBDHN CC(C)(COc1ncccc1Br)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000788490285 878100693 /nfs/dbraw/zinc/10/06/93/878100693.db2.gz ZZHDAKMTBRUJMK-UHFFFAOYSA-N 0 3 398.232 3.839 20 5 GHBDHN O=c1[nH]c(CCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 ZINC000451552233 878136053 /nfs/dbraw/zinc/13/60/53/878136053.db2.gz WEPZLOQAKUIJAD-MRXNPFEDSA-N 0 3 378.432 3.666 20 5 GHBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000776579173 878190344 /nfs/dbraw/zinc/19/03/44/878190344.db2.gz LEOGPEOXRASQJZ-BZSNNMDCSA-N 0 3 397.258 3.525 20 5 GHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854103032 879534363 /nfs/dbraw/zinc/53/43/63/879534363.db2.gz KQLLDZPWELPEOP-OAHLLOKOSA-N 0 3 392.463 3.726 20 5 GHBDHN COc1cc(CN[C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493709697 879605105 /nfs/dbraw/zinc/60/51/05/879605105.db2.gz UGPUMCXXTRXZIX-YJBOKZPZSA-N 0 3 388.411 3.541 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494068254 879890910 /nfs/dbraw/zinc/89/09/10/879890910.db2.gz GAKIFHPOTNRHRS-PKOBYXMFSA-N 0 3 381.476 3.913 20 5 GHBDHN N=C(N)N(c1ccc(N2CCOCC2)cc1)c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001170170072 881170447 /nfs/dbraw/zinc/17/04/47/881170447.db2.gz NOAICKWXNBTDAY-UHFFFAOYSA-N 0 3 391.431 3.616 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000499115547 881184415 /nfs/dbraw/zinc/18/44/15/881184415.db2.gz HPHHEHMHSBRYDK-RDTXWAMCSA-N 0 3 388.443 3.705 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000805275203 883731079 /nfs/dbraw/zinc/73/10/79/883731079.db2.gz BPVRDKKBNKKUCS-JLGRQBBPSA-N 0 3 397.475 3.814 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000509504228 883788164 /nfs/dbraw/zinc/78/81/64/883788164.db2.gz RJDWYHDNNAFBPN-XLIONFOSSA-N 0 3 396.491 3.739 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859903742 884165856 /nfs/dbraw/zinc/16/58/56/884165856.db2.gz OQPAGUAVXVVKTL-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN Cc1nc2n(n1)C[C@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000237708238 884818924 /nfs/dbraw/zinc/81/89/24/884818924.db2.gz ABJXRBWQGDSEQG-GFCCVEGCSA-N 0 3 387.827 3.513 20 5 GHBDHN COc1cc(CN(C)C2CCC(OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272253655 885533807 /nfs/dbraw/zinc/53/38/07/885533807.db2.gz IUYJDPXGMNXBJS-UHFFFAOYSA-N 0 3 388.411 3.637 20 5 GHBDHN COCC[C@@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000495386321 885622173 /nfs/dbraw/zinc/62/21/73/885622173.db2.gz UVUCRBIVOVYYTR-CXAGYDPISA-N 0 3 375.425 3.581 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCCN2CCN(c3ccccc3Cl)CC2)cs1 ZINC000237905066 886062272 /nfs/dbraw/zinc/06/22/72/886062272.db2.gz YIBLPSDWHYZZIE-UHFFFAOYSA-N 0 3 394.928 3.612 20 5 GHBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000193498606 886405980 /nfs/dbraw/zinc/40/59/80/886405980.db2.gz MOKREQUOKZCPNB-NWDGAFQWSA-N 0 3 378.812 3.940 20 5 GHBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000195156281 886674652 /nfs/dbraw/zinc/67/46/52/886674652.db2.gz PKCODBZIQOSITB-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)n2)cc1 ZINC000863320703 887032716 /nfs/dbraw/zinc/03/27/16/887032716.db2.gz HXPDJIFPHILRPH-YSIASYRMSA-N 0 3 375.432 3.546 20 5 GHBDHN CN(CCCN(C)Cc1c(Br)cccc1[N+](=O)[O-])Cc1ccco1 ZINC000809719195 887741437 /nfs/dbraw/zinc/74/14/37/887741437.db2.gz WVOMEGFSKXTHAU-UHFFFAOYSA-N 0 3 396.285 3.904 20 5 GHBDHN CC(C)c1ccc(CNCc2ccc(CN3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000865816697 888593945 /nfs/dbraw/zinc/59/39/45/888593945.db2.gz PJICDVYXLCUJMH-UHFFFAOYSA-N 0 3 382.464 3.533 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000868816837 889612650 /nfs/dbraw/zinc/61/26/50/889612650.db2.gz PTVRGHKKZZUXAK-UHFFFAOYSA-N 0 3 395.818 3.639 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000868817736 889613049 /nfs/dbraw/zinc/61/30/49/889613049.db2.gz KLORARGUCNNGCO-UHFFFAOYSA-N 0 3 377.828 3.879 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCOCC1CCOCC1 ZINC000811482509 889633446 /nfs/dbraw/zinc/63/34/46/889633446.db2.gz YQBUKQYVSJNVSM-UHFFFAOYSA-N 0 3 377.268 3.825 20 5 GHBDHN C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000455089304 890314593 /nfs/dbraw/zinc/31/45/93/890314593.db2.gz CWVSYTJDZLWCAH-JXFKEZNVSA-N 0 3 382.464 3.792 20 5 GHBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccc(Br)c1[N+](=O)[O-] ZINC001170685635 890941400 /nfs/dbraw/zinc/94/14/00/890941400.db2.gz BIGSSNFEKBJQDF-JTQLQIEISA-N 0 3 388.225 3.625 20 5 GHBDHN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813103688 891274173 /nfs/dbraw/zinc/27/41/73/891274173.db2.gz FIWUTZGLMYRDHS-JTQLQIEISA-N 0 3 393.852 3.930 20 5 GHBDHN CC(COC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109555 891302313 /nfs/dbraw/zinc/30/23/13/891302313.db2.gz LLNDVFLIYWJSHF-NSHDSACASA-N 0 3 392.205 3.502 20 5 GHBDHN O=[N+]([O-])c1cccc(CNCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000237854965 892457968 /nfs/dbraw/zinc/45/79/68/892457968.db2.gz MZMRSQCUVAICQC-UHFFFAOYSA-N 0 3 375.734 3.831 20 5 GHBDHN COc1cc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563067208 893335189 /nfs/dbraw/zinc/33/51/89/893335189.db2.gz FBQLKYJBHDRSNU-TZMCWYRMSA-N 0 3 386.395 3.596 20 5 GHBDHN CN(CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000537210108 894562266 /nfs/dbraw/zinc/56/22/66/894562266.db2.gz JSISNLDWMBHJNH-UHFFFAOYSA-N 0 3 390.443 3.519 20 5 GHBDHN Cc1cc([C@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)ccc1F ZINC000537224048 894597021 /nfs/dbraw/zinc/59/70/21/894597021.db2.gz JOQXZTJWRPXDOI-OAQYLSRUSA-N 0 3 383.423 3.672 20 5 GHBDHN CC[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000569231771 898450201 /nfs/dbraw/zinc/45/02/01/898450201.db2.gz OTUBQCUEEGHIEP-HNNXBMFYSA-N 0 3 383.477 3.700 20 5 GHBDHN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823244901 898938071 /nfs/dbraw/zinc/93/80/71/898938071.db2.gz ZVABWFYJCIZXNY-WMZOPIPTSA-N 0 3 378.469 3.605 20 5 GHBDHN CCOc1ccccc1OCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873237 902476799 /nfs/dbraw/zinc/47/67/99/902476799.db2.gz SGOXLENCKRUNEN-DJJJIMSYSA-N 0 3 377.368 3.553 20 5 GHBDHN CC([C@H](OC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845876715 902480972 /nfs/dbraw/zinc/48/09/72/902480972.db2.gz OAMUSMVFTWLPHZ-SGTLLEGYSA-N 0 3 391.399 3.749 20 5 GHBDHN CCc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000845878155 902482157 /nfs/dbraw/zinc/48/21/57/902482157.db2.gz RESJOGXIVJMRRV-ACJLOTCBSA-N 0 3 398.394 3.532 20 5 GHBDHN COc1cccc2[nH]cc(CC(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])c21 ZINC000845878758 902482481 /nfs/dbraw/zinc/48/24/81/902482481.db2.gz SQAHUGVNXPLCJK-FKIZINRSSA-N 0 3 386.379 3.808 20 5 GHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000141748079 903955987 /nfs/dbraw/zinc/95/59/87/903955987.db2.gz PFUQJQAPCSMFOU-AWEZNQCLSA-N 0 3 394.903 3.526 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCO[C@@]4(CCSC4)C3)cs2)c1 ZINC000151332884 904106959 /nfs/dbraw/zinc/10/69/59/904106959.db2.gz LGLLSEZYUVORIH-KDOFPFPSSA-N 0 3 391.518 3.863 20 5 GHBDHN CCOc1ccc([C@@H](C)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152636610 904288118 /nfs/dbraw/zinc/28/81/18/904288118.db2.gz AFWSANZZAOCXCN-QGZVFWFLSA-N 0 3 399.491 3.677 20 5 GHBDHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000153079331 904328109 /nfs/dbraw/zinc/32/81/09/904328109.db2.gz LNLDWJZTUFRYQL-OAHLLOKOSA-N 0 3 397.460 3.552 20 5 GHBDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174860389 905375614 /nfs/dbraw/zinc/37/56/14/905375614.db2.gz WWGAEVAHSYXICC-INIZCTEOSA-N 0 3 382.468 3.602 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N[C@@H]3COc4ccc(F)cc43)CC2)c(F)c1 ZINC001173007290 906081855 /nfs/dbraw/zinc/08/18/55/906081855.db2.gz HSYDRMFSDNPIMV-QGZVFWFLSA-N 0 3 393.365 3.704 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](c2ncccc2OC)C2CC2)c1F ZINC001173181423 906261604 /nfs/dbraw/zinc/26/16/04/906261604.db2.gz VPQKUZJLFLJQED-BUXKBTBVSA-N 0 3 389.427 3.818 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001173223494 906303478 /nfs/dbraw/zinc/30/34/78/906303478.db2.gz ANJNWXHOTXATHQ-WMLDXEAASA-N 0 3 375.469 3.515 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001173223570 906303565 /nfs/dbraw/zinc/30/35/65/906303565.db2.gz AYRPZNBMFGFXFH-QRWLVFNGSA-N 0 3 377.485 3.905 20 5 GHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190795734 906320807 /nfs/dbraw/zinc/32/08/07/906320807.db2.gz UZULBYPHAXSLCM-UHFFFAOYSA-N 0 3 388.493 3.747 20 5 GHBDHN COc1cc(CN[C@@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190949897 906466465 /nfs/dbraw/zinc/46/64/65/906466465.db2.gz HYTGVUFXTIOJCQ-QZTJIDSGSA-N 0 3 386.448 3.840 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H]3COC4(CCCC4)O3)o2)c([N+](=O)[O-])c1 ZINC000773419621 907273201 /nfs/dbraw/zinc/27/32/01/907273201.db2.gz YJLUAGCVTSQDHD-MRXNPFEDSA-N 0 3 388.420 3.639 20 5 GHBDHN Cc1cccc(C[C@@]2(C)CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001175034649 907346281 /nfs/dbraw/zinc/34/62/81/907346281.db2.gz AVIFFKQMSWQDDV-JOCHJYFZSA-N 0 3 381.476 3.963 20 5 GHBDHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ccc([N+](=O)[O-])cc1F ZINC001176589169 908169932 /nfs/dbraw/zinc/16/99/32/908169932.db2.gz VGDGLMDOPHHVJJ-KRWDZBQOSA-N 0 3 397.244 3.580 20 5 GHBDHN O=C(CCN1CC=C(c2ccc(Cl)nc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000773649884 908544894 /nfs/dbraw/zinc/54/48/94/908544894.db2.gz FAOGMNASTXDBCQ-UHFFFAOYSA-N 0 3 386.839 3.761 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000192760414 908822414 /nfs/dbraw/zinc/82/24/14/908822414.db2.gz XODSIHYXEDZCEX-FUHIMQAGSA-N 0 3 397.475 3.988 20 5 GHBDHN COc1cc(C[NH2+]C[C@H](Cc2ccccc2)c2ccccn2)c([N+](=O)[O-])cc1[O-] ZINC001179822793 909773821 /nfs/dbraw/zinc/77/38/21/909773821.db2.gz VSAPVIGPAIGUDJ-KRWDZBQOSA-N 0 3 393.443 3.820 20 5 GHBDHN CN(CCC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2)Cc1ccccc1 ZINC001181140706 910568564 /nfs/dbraw/zinc/56/85/64/910568564.db2.gz OULNAOGGMHMIPU-UHFFFAOYSA-N 0 3 385.467 3.851 20 5 GHBDHN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(NS(C)(=O)=O)c1 ZINC000774143257 911438910 /nfs/dbraw/zinc/43/89/10/911438910.db2.gz LULJAWIOQBDILP-YJYMSZOUSA-N 0 3 389.477 3.695 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293794429 916387883 /nfs/dbraw/zinc/38/78/83/916387883.db2.gz QUEHULWGBZXULR-QWHCGFSZSA-N 0 3 383.452 3.873 20 5 GHBDHN COc1cc(CN2CCC[C@@H](O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000294021074 916532133 /nfs/dbraw/zinc/53/21/33/916532133.db2.gz NNFAZIZVSAFHMP-LJQANCHMSA-N 0 3 386.448 3.529 20 5 GHBDHN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000294045323 916547990 /nfs/dbraw/zinc/54/79/90/916547990.db2.gz GIMCCMRBBHETDE-ZIAGYGMSSA-N 0 3 383.452 3.509 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1Cc1ccccc1Cl ZINC001190541323 917398573 /nfs/dbraw/zinc/39/85/73/917398573.db2.gz OYYISLNWGAKMTK-IRXDYDNUSA-N 0 3 390.867 3.695 20 5 GHBDHN CC(C)CN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000114383658 919389736 /nfs/dbraw/zinc/38/97/36/919389736.db2.gz KLYOWOLISGASLZ-CQSZACIVSA-N 0 3 397.903 3.594 20 5 GHBDHN COc1cccc([C@H]2CCCN2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000117334566 919537864 /nfs/dbraw/zinc/53/78/64/919537864.db2.gz JRHSADJDTBYNKC-GOSISDBHSA-N 0 3 397.431 3.739 20 5 GHBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000411117049 926080268 /nfs/dbraw/zinc/08/02/68/926080268.db2.gz YLRSOCOKVKQCHY-UHFFFAOYSA-N 0 3 379.507 3.582 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000411175837 926169589 /nfs/dbraw/zinc/16/95/89/926169589.db2.gz FBZMUPVVDPYUEH-SFHVURJKSA-N 0 3 387.411 3.908 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H](O)c3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000726606715 926761522 /nfs/dbraw/zinc/76/15/22/926761522.db2.gz KSMMLQZMABIADB-LJQANCHMSA-N 0 3 398.415 3.695 20 5 GHBDHN CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000757108189 929648091 /nfs/dbraw/zinc/64/80/91/929648091.db2.gz DSEGFMLHNKFQGN-HZPDHXFCSA-N 0 3 393.484 3.599 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000757737720 929786599 /nfs/dbraw/zinc/78/65/99/929786599.db2.gz DFQZJJBYBUKASB-MRXNPFEDSA-N 0 3 377.485 3.982 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000469433997 929883487 /nfs/dbraw/zinc/88/34/87/929883487.db2.gz KYUAIBGISIWKKJ-LJQANCHMSA-N 0 3 384.480 3.551 20 5 GHBDHN CN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000758264456 929993851 /nfs/dbraw/zinc/99/38/51/929993851.db2.gz HNBTUGNKANYHDT-PXNSSMCTSA-N 0 3 384.411 3.893 20 5 GHBDHN CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758268954 929996347 /nfs/dbraw/zinc/99/63/47/929996347.db2.gz VAOIUOJAUGVYCG-YLJYHZDGSA-N 0 3 384.411 3.893 20 5 GHBDHN CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546904777 930520918 /nfs/dbraw/zinc/52/09/18/930520918.db2.gz DGCANQKQFDVMDN-GOSISDBHSA-N 0 3 392.459 3.813 20 5 GHBDHN Cc1ccc([C@H]2C[C@@H](C)N(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000782957602 931375167 /nfs/dbraw/zinc/37/51/67/931375167.db2.gz XQKOQXPETSLVAW-APWZRJJASA-N 0 3 377.448 3.997 20 5 GHBDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(C(C)=O)c3)cc2)CC1 ZINC000557495038 931470546 /nfs/dbraw/zinc/47/05/46/931470546.db2.gz RMLQCKVWGGZGIU-UHFFFAOYSA-N 0 3 396.491 3.547 20 5 GHBDHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000783240716 931471793 /nfs/dbraw/zinc/47/17/93/931471793.db2.gz OXVNTLFKIHJWHC-HWPZZCPQSA-N 0 3 383.217 3.881 20 5 GHBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN(C2CCC2)C1 ZINC000557837173 931714489 /nfs/dbraw/zinc/71/44/89/931714489.db2.gz GDIDOUGKFUFISV-GFCCVEGCSA-N 0 3 385.386 3.560 20 5 GHBDHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001117066823 933852357 /nfs/dbraw/zinc/85/23/57/933852357.db2.gz WOXZTZVYQWQBDK-FZKQIMNGSA-N 0 3 396.871 3.756 20 5 GHBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN(C2CCC2)C1 ZINC000561534410 934247861 /nfs/dbraw/zinc/24/78/61/934247861.db2.gz MLJZBCTVWXUPRZ-GFCCVEGCSA-N 0 3 385.386 3.560 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532221054 1014561945 /nfs/dbraw/zinc/56/19/45/1014561945.db2.gz JRIDJXJMSXPEBE-NQIIRXRSSA-N 0 3 382.508 3.543 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000468636293 1015863530 /nfs/dbraw/zinc/86/35/30/1015863530.db2.gz ZBQMJPPBRRVCRW-NRFGWYQLSA-N 0 3 395.459 3.905 20 5 GHBDHN CCCN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccc(Cl)cc1 ZINC000562858323 1018715691 /nfs/dbraw/zinc/71/56/91/1018715691.db2.gz RZUACPPZWQKSBY-SFHVURJKSA-N 0 3 390.871 3.765 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)cc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001228257788 1032869067 /nfs/dbraw/zinc/86/90/67/1032869067.db2.gz MQRJRBFQYQJYKP-IBGZPJMESA-N 0 3 376.840 3.918 20 5 GHBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576903634 1020082976 /nfs/dbraw/zinc/08/29/76/1020082976.db2.gz DHBIWZTYHMJMPN-OKILXGFUSA-N 0 3 385.386 3.537 20 5 GHBDHN C[C@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000577158139 1020138519 /nfs/dbraw/zinc/13/85/19/1020138519.db2.gz MNIQLTYFLCSNRI-KRWDZBQOSA-N 0 3 381.476 3.821 20 5 GHBDHN O=[N+]([O-])c1cccc(Oc2nc(N[C@H]3CN4CCC3CC4)nc3ccsc32)c1 ZINC001163386157 1026173042 /nfs/dbraw/zinc/17/30/42/1026173042.db2.gz NSYUNLJXGJMIEU-INIZCTEOSA-N 0 3 397.460 3.898 20 5 GHBDHN CN(CCCN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccncc1 ZINC001163643825 1026265165 /nfs/dbraw/zinc/26/51/65/1026265165.db2.gz XIOMQCJLLPNREY-UHFFFAOYSA-N 0 3 382.386 3.967 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001203597211 1027462566 /nfs/dbraw/zinc/46/25/66/1027462566.db2.gz CZARTEYCVUQWPI-AWEZNQCLSA-N 0 3 387.436 3.954 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001223403865 1030558631 /nfs/dbraw/zinc/55/86/31/1030558631.db2.gz YHMVMGUNJARLJZ-LPHOPBHVSA-N 0 3 382.464 3.620 20 5 GHBDHN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CNCc2ccccc21 ZINC001218489034 1030959008 /nfs/dbraw/zinc/95/90/08/1030959008.db2.gz OCAKOGDFCQEIQC-MRXNPFEDSA-N 0 3 391.221 3.783 20 5 GHBDHN Nc1ccc2n(C(=O)[C@@H](N)CCCc3ccccc3)c3ccccc3cc-2c1=O ZINC001219256769 1031329483 /nfs/dbraw/zinc/32/94/83/1031329483.db2.gz XZKIQEKBQLSDHY-FQEVSTJZSA-N 0 3 385.467 3.679 20 5 GHBDHN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNCc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)O2 ZINC001461766373 1069733645 /nfs/dbraw/zinc/73/36/45/1069733645.db2.gz LUXUHAMTFRUBHT-OGZLKCIRSA-N 0 3 386.448 3.917 20 5 GHBDHN CSc1nc(Cl)nc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1[N+](=O)[O-] ZINC001159594266 1034683373 /nfs/dbraw/zinc/68/33/73/1034683373.db2.gz CCLZYCDVEPCPIZ-VIFPVBQESA-N 0 3 390.856 3.633 20 5 GHBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCCCC1 ZINC001160613951 1035016825 /nfs/dbraw/zinc/01/68/25/1035016825.db2.gz SYRILJBGWRDGLD-KRWDZBQOSA-N 0 3 396.491 3.811 20 5 GHBDHN COC(=O)c1ccc(O[C@H]2CN(Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC001234048239 1039784427 /nfs/dbraw/zinc/78/44/27/1039784427.db2.gz HHHVBJQNKYBSFK-QRWLVFNGSA-N 0 3 384.432 3.671 20 5 GHBDHN COc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Cl)c1[O-] ZINC001254469849 1040255187 /nfs/dbraw/zinc/25/51/87/1040255187.db2.gz ILIBULDFVGGUNK-UHFFFAOYSA-N 0 3 391.855 3.721 20 5 GHBDHN Cc1cccc(NC(=O)NC2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254612635 1040383477 /nfs/dbraw/zinc/38/34/77/1040383477.db2.gz XHYQFKPTPHMPOL-NRFANRHFSA-N 0 3 394.475 3.657 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC001306840026 1048922540 /nfs/dbraw/zinc/92/25/40/1048922540.db2.gz MYAGGOPRUSBGQO-BBRMVZONSA-N 0 3 377.416 3.505 20 5 GHBDHN O=[N+]([O-])c1ccc(NCC2(N3CCSCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC001306971026 1048985623 /nfs/dbraw/zinc/98/56/23/1048985623.db2.gz ZIEPFURCLRTWMP-UHFFFAOYSA-N 0 3 380.470 3.667 20 5 GHBDHN CCC1CCC(N(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C2CC2)CC1 ZINC001307419176 1049258809 /nfs/dbraw/zinc/25/88/09/1049258809.db2.gz UGSCSVCUNIAVRQ-UHFFFAOYSA-N 0 3 375.469 3.975 20 5 GHBDHN CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC001289730709 1049609112 /nfs/dbraw/zinc/60/91/12/1049609112.db2.gz RCYDWMLASHOSSQ-UHFFFAOYSA-N 0 3 375.513 3.725 20 5 GHBDHN O=[N+]([O-])c1c(-c2nc([C@H]3CN4CCC3CC4)no2)ccnc1-c1ccccc1 ZINC001328773783 1050633651 /nfs/dbraw/zinc/63/36/51/1050633651.db2.gz YROLXJCPLGVYHS-INIZCTEOSA-N 0 3 377.404 3.516 20 5 GHBDHN Cc1csc(CCCNCc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC001330603784 1051038817 /nfs/dbraw/zinc/03/88/17/1051038817.db2.gz WNGOEMKICLNYPX-UHFFFAOYSA-N 0 3 376.301 3.906 20 5 GHBDHN C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001312818535 1052881479 /nfs/dbraw/zinc/88/14/79/1052881479.db2.gz YVYLWAYHOVPWOB-QINHECLXSA-N 0 3 382.464 3.618 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001313352695 1053028305 /nfs/dbraw/zinc/02/83/05/1053028305.db2.gz QHUNWFUPSUTSLT-SFHVURJKSA-N 0 3 398.507 3.780 20 5 GHBDHN CC([C@H](OC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1F)[N+](=O)[O-] ZINC001345037585 1054865569 /nfs/dbraw/zinc/86/55/69/1054865569.db2.gz SKVJIZCFCMKZCB-YJYMSZOUSA-N 0 3 399.378 3.758 20 5 GHBDHN CC([C@@H](OC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1F)[N+](=O)[O-] ZINC001345037584 1054866213 /nfs/dbraw/zinc/86/62/13/1054866213.db2.gz SKVJIZCFCMKZCB-ORAYPTAESA-N 0 3 399.378 3.758 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001327283430 1057633434 /nfs/dbraw/zinc/63/34/34/1057633434.db2.gz YMQDPYRCIQWONV-ZDUSSCGKSA-N 0 3 393.241 3.525 20 5 GHBDHN C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)N1CCC(Cc2ccccc2)CC1 ZINC001339545223 1059290722 /nfs/dbraw/zinc/29/07/22/1059290722.db2.gz MCCBUPJAHHJUIF-QGZVFWFLSA-N 0 3 393.487 3.780 20 5 GHBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001447434389 1059964638 /nfs/dbraw/zinc/96/46/38/1059964638.db2.gz SNEYCYSPASJGTF-SFHVURJKSA-N 0 3 382.464 3.941 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC001436281667 1063359092 /nfs/dbraw/zinc/35/90/92/1063359092.db2.gz VNDHOAQBPQGJCH-MRXNPFEDSA-N 0 3 381.476 3.806 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)o1 ZINC001460035936 1064363979 /nfs/dbraw/zinc/36/39/79/1064363979.db2.gz BGGYKAMKVFXJEO-QGPMSJSTSA-N 0 3 386.452 3.550 20 5 GHBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC001460060542 1064385475 /nfs/dbraw/zinc/38/54/75/1064385475.db2.gz CPZUUDFXGVWJOW-IRXDYDNUSA-N 0 3 375.469 3.559 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1ccsc1 ZINC001464136667 1064849084 /nfs/dbraw/zinc/84/90/84/1064849084.db2.gz AWPBAYGAFJIUAF-QGZVFWFLSA-N 0 3 379.457 3.917 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001466376546 1066121429 /nfs/dbraw/zinc/12/14/29/1066121429.db2.gz OHVRLLBYUVJJQN-YJBOKZPZSA-N 0 3 398.463 3.778 20 5 GHBDHN CCOc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466998175 1066436144 /nfs/dbraw/zinc/43/61/44/1066436144.db2.gz QQWGMIZHSNRMCJ-SFHVURJKSA-N 0 3 398.463 3.732 20 5 GHBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001358470665 1067536763 /nfs/dbraw/zinc/53/67/63/1067536763.db2.gz OUTHUABGRTXHHI-IBGZPJMESA-N 0 3 381.476 3.948 20 5 GHBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CCN1 ZINC001470297638 1068671431 /nfs/dbraw/zinc/67/14/31/1068671431.db2.gz PQJVNXVSCLCFJP-KRWDZBQOSA-N 0 3 377.510 3.700 20 5 GHBDHN CC1(C)[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1OCc1ccccc1 ZINC001460122068 1068792763 /nfs/dbraw/zinc/79/27/63/1068792763.db2.gz MLOIJUKUTNSSJZ-OALUTQOASA-N 0 3 380.448 3.945 20 5 GHBDHN CC[C@H](NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCCOC1 ZINC001460684990 1069084924 /nfs/dbraw/zinc/08/49/24/1069084924.db2.gz BIAOORFUSDQJHT-FZMZJTMJSA-N 0 3 380.832 3.593 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001470780596 1072736771 /nfs/dbraw/zinc/73/67/71/1072736771.db2.gz TWTNYLMFZRDJCL-ZJMJOCHXSA-N 0 3 393.487 3.725 20 5 GHBDHN CC(C)N1CCN(c2cccc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])c2)CC1 ZINC001472750276 1073648417 /nfs/dbraw/zinc/64/84/17/1073648417.db2.gz UCVLGWGTXSQPFQ-UHFFFAOYSA-N 0 3 385.424 3.777 20 5 GHBDHN CC(C)[C@H]1CN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])CCN1C ZINC001472857359 1073697140 /nfs/dbraw/zinc/69/71/40/1073697140.db2.gz GHLIOWDGYOMHJT-MRXNPFEDSA-N 0 3 393.285 3.682 20 5 GHBDHN Cc1c(CN[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC001473988406 1074226911 /nfs/dbraw/zinc/22/69/11/1074226911.db2.gz CZEIIJHJMDTRAM-INIZCTEOSA-N 0 3 386.471 3.645 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@]3(C)CCC(=O)N3)cc2[N+](=O)[O-])cc1 ZINC001474170204 1074282122 /nfs/dbraw/zinc/28/21/22/1074282122.db2.gz LVCZQMZTHHTQBJ-FQEVSTJZSA-N 0 3 385.489 3.813 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3nc(-c4ccccc4)cs3)CC2)cn1 ZINC001474556914 1074462146 /nfs/dbraw/zinc/46/21/46/1074462146.db2.gz LVFHUGVSAHIVIV-UHFFFAOYSA-N 0 3 395.488 3.872 20 5 GHBDHN CC(C)(C)OC(=O)NOCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001474725913 1074535070 /nfs/dbraw/zinc/53/50/70/1074535070.db2.gz GTTQBGFYXKPKPA-UHFFFAOYSA-N 0 3 394.255 3.838 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825127514 608493099 /nfs/dbraw/zinc/49/30/99/608493099.db2.gz NFANBYAHDRYGBB-CJNGLKHVSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825127514 608493100 /nfs/dbraw/zinc/49/31/00/608493100.db2.gz NFANBYAHDRYGBB-CJNGLKHVSA-N 0 3 398.492 3.996 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001267591165 837501559 /nfs/dbraw/zinc/50/15/59/837501559.db2.gz MCTNGJPOZVMRRN-LPHOPBHVSA-N 0 3 397.475 3.632 20 5 GHBDHN Cc1cc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)ccc1[N+](=O)[O-] ZINC000138713630 834747722 /nfs/dbraw/zinc/74/77/22/834747722.db2.gz PWSFQGFYONGSGK-UHFFFAOYSA-N 0 3 385.489 3.747 20 5 GHBDHN Cc1cc(F)cc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000176792620 834757054 /nfs/dbraw/zinc/75/70/54/834757054.db2.gz GEQVSZDJFPMGPW-AWEZNQCLSA-N 0 3 391.468 3.746 20 5 GHBDHN COc1ccc([C@H](O)CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000102420810 835371325 /nfs/dbraw/zinc/37/13/25/835371325.db2.gz QWIJTKOHHCQLJU-HXUWFJFHSA-N 0 3 398.415 3.695 20 5 GHBDHN COc1ccccc1[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612073314 835457417 /nfs/dbraw/zinc/45/74/17/835457417.db2.gz LAHJPRZCIRLNBZ-AEFFLSMTSA-N 0 3 386.448 3.570 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(CO)CC2)cc1 ZINC000127094891 835647685 /nfs/dbraw/zinc/64/76/85/835647685.db2.gz ZLMSEFXEJCYERA-UHFFFAOYSA-N 0 3 392.459 3.652 20 5 GHBDHN COc1ccc(C[C@H](C)CN(C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000535615823 835781121 /nfs/dbraw/zinc/78/11/21/835781121.db2.gz GJROJQWZXWQBPV-HOTGVXAUSA-N 0 3 385.464 3.741 20 5 GHBDHN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(C)CC1 ZINC000065126662 844134027 /nfs/dbraw/zinc/13/40/27/844134027.db2.gz RCEHZKQEFHXTJB-CQSZACIVSA-N 0 3 388.493 3.569 20 5 GHBDHN O=C(NC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1)C1CC1 ZINC000179912868 836315839 /nfs/dbraw/zinc/31/58/39/836315839.db2.gz ZCRFTFFWWKBEBB-UHFFFAOYSA-N 0 3 385.489 3.814 20 5 GHBDHN CN(C)Cc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024812506 844275100 /nfs/dbraw/zinc/27/51/00/844275100.db2.gz DDRAHXUUGLQHKD-UHFFFAOYSA-N 0 3 382.464 3.512 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OCC(F)(F)F)cc3)C2)nc1 ZINC000118865893 838732817 /nfs/dbraw/zinc/73/28/17/838732817.db2.gz YGNZWXAQOAIFNZ-CQSZACIVSA-N 0 3 396.369 3.617 20 5 GHBDHN CS(=O)(=O)Cc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417336828 840741151 /nfs/dbraw/zinc/74/11/51/840741151.db2.gz IHSQSGBTSUVTHD-HXUWFJFHSA-N 0 3 388.489 3.697 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1N1CCOCC1)CCCC2 ZINC000417342943 840753026 /nfs/dbraw/zinc/75/30/26/840753026.db2.gz PSFACVAGFGRTTD-NRFANRHFSA-N 0 3 381.476 3.989 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000160832212 840998685 /nfs/dbraw/zinc/99/86/85/840998685.db2.gz HMKKVFWRANVGNF-FQEVSTJZSA-N 0 3 385.439 3.937 20 5 GHBDHN COc1cccc([C@@H]2[C@H](NCc3cc([N+](=O)[O-])ccc3OC)CCN2C2CC2)c1 ZINC000549476280 841061539 /nfs/dbraw/zinc/06/15/39/841061539.db2.gz DFJMQBULTQQUJV-IFMALSPDSA-N 0 3 397.475 3.680 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cc1[N+](=O)[O-] ZINC000181746437 841321272 /nfs/dbraw/zinc/32/12/72/841321272.db2.gz CBXXSNCLUJYVNU-LSDHHAIUSA-N 0 3 381.436 3.986 20 5 GHBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302167902 861227210 /nfs/dbraw/zinc/22/72/10/861227210.db2.gz SIXALJSYTPEMMX-CZUORRHYSA-N 0 3 395.385 3.899 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC=C(c2ccccc2)C1 ZINC000566634632 841819570 /nfs/dbraw/zinc/81/95/70/841819570.db2.gz IFTYMHOKFYVVRC-UHFFFAOYSA-N 0 3 381.432 3.721 20 5 GHBDHN CCN1CCN(C[C@@H](C)CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302241001 861251567 /nfs/dbraw/zinc/25/15/67/861251567.db2.gz NPVOLRPKTKXMPD-LBPRGKRZSA-N 0 3 375.300 3.587 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000477617871 842290564 /nfs/dbraw/zinc/29/05/64/842290564.db2.gz SULQNRHFJLAWIU-KRWDZBQOSA-N 0 3 375.856 3.898 20 5 GHBDHN CN(C)C(=O)COc1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279201115 842709693 /nfs/dbraw/zinc/70/96/93/842709693.db2.gz XLAWOEABTIAAAB-HXUWFJFHSA-N 0 3 397.475 3.574 20 5 GHBDHN Cc1c(CC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000610971872 842725925 /nfs/dbraw/zinc/72/59/25/842725925.db2.gz USIFWJGUSPAKEY-KRWDZBQOSA-N 0 3 381.476 3.569 20 5 GHBDHN CC(C)N(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000843695597 843288192 /nfs/dbraw/zinc/28/81/92/843288192.db2.gz GGGOIVOTBFCBTO-SFHVURJKSA-N 0 3 385.439 3.859 20 5 GHBDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001266938853 843620797 /nfs/dbraw/zinc/62/07/97/843620797.db2.gz RQTDIQIBJFPSFG-HNNXBMFYSA-N 0 3 388.237 3.508 20 5 GHBDHN CC(=O)Nc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000433192006 843804293 /nfs/dbraw/zinc/80/42/93/843804293.db2.gz XPQAOJCTZYYFBF-UHFFFAOYSA-N 0 3 382.445 3.967 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000934194496 845742980 /nfs/dbraw/zinc/74/29/80/845742980.db2.gz GCSRWRWRNJQYES-YADHBBJMSA-N 0 3 393.487 3.821 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000511059303 846150882 /nfs/dbraw/zinc/15/08/82/846150882.db2.gz LLQNFHLRWBDKGC-UHFFFAOYSA-N 0 3 381.476 3.895 20 5 GHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413237625 847005740 /nfs/dbraw/zinc/00/57/40/847005740.db2.gz LGEZVQWYRVSDPK-PXNSSMCTSA-N 0 3 377.448 3.667 20 5 GHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413245506 847035632 /nfs/dbraw/zinc/03/56/32/847035632.db2.gz SEGYFUXRGSQZDK-KKSFZXQISA-N 0 3 377.448 3.667 20 5 GHBDHN C[C@@H]1C[C@]1(NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380719 847654582 /nfs/dbraw/zinc/65/45/82/847654582.db2.gz XVHPBXWGOCRHNO-ACWOFJMJSA-N 0 3 376.840 3.513 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000611935610 848344861 /nfs/dbraw/zinc/34/48/61/848344861.db2.gz ZVFRZGSUYFGMMB-NRFANRHFSA-N 0 3 396.491 3.659 20 5 GHBDHN CNc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000604200561 861940457 /nfs/dbraw/zinc/94/04/57/861940457.db2.gz PEPJFFYYONKZHX-OAQYLSRUSA-N 0 3 396.491 3.840 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000458505128 849800857 /nfs/dbraw/zinc/80/08/57/849800857.db2.gz MWQRTYQYLVISFY-OAHLLOKOSA-N 0 3 390.509 3.799 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000518782756 850091256 /nfs/dbraw/zinc/09/12/56/850091256.db2.gz KZHURXFQEVGRIW-CKEIUWERSA-N 0 3 377.510 3.509 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000514807042 850316000 /nfs/dbraw/zinc/31/60/00/850316000.db2.gz SOQLQVWXWYDIPS-IERDGZPVSA-N 0 3 399.491 3.905 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N(C)C1CCCCC1 ZINC000504899404 850402870 /nfs/dbraw/zinc/40/28/70/850402870.db2.gz GDQHNOQVXLOTAV-HNNXBMFYSA-N 0 3 379.526 3.846 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425061752 850901032 /nfs/dbraw/zinc/90/10/32/850901032.db2.gz BUOWFUQBEWYODD-WMLDXEAASA-N 0 3 377.510 3.653 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3Cc3ccc(F)cc3)o2)cc1 ZINC000515745429 851409224 /nfs/dbraw/zinc/40/92/24/851409224.db2.gz JAMIQMKGMRPZGX-SFHVURJKSA-N 0 3 382.395 3.991 20 5 GHBDHN COC(=O)[C@@]1(c2ccccc2)CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000489011414 851921381 /nfs/dbraw/zinc/92/13/81/851921381.db2.gz KVXPCRSARRDCHI-QFIPXVFZSA-N 0 3 391.427 3.773 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000509566888 852972507 /nfs/dbraw/zinc/97/25/07/852972507.db2.gz HBFXOHOUEVYGPY-WBVHZDCISA-N 0 3 388.468 3.501 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490434605 853027549 /nfs/dbraw/zinc/02/75/49/853027549.db2.gz XTPYOYCCVYAYAX-IFXJQAMLSA-N 0 3 397.500 3.959 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000029414656 853091615 /nfs/dbraw/zinc/09/16/15/853091615.db2.gz YWDHWEZXPXUXNC-KRWDZBQOSA-N 0 3 393.534 3.948 20 5 GHBDHN CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760656935 853659221 /nfs/dbraw/zinc/65/92/21/853659221.db2.gz NZOCFKAYNORTIV-BGVYSJOJSA-N 0 3 379.460 3.731 20 5 GHBDHN Cc1cc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc(N2CCCC2)n1 ZINC000589604397 855057784 /nfs/dbraw/zinc/05/77/84/855057784.db2.gz JGKRYBUIGRYJQM-UHFFFAOYSA-N 0 3 377.448 3.789 20 5 GHBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000301560413 855243877 /nfs/dbraw/zinc/24/38/77/855243877.db2.gz UCSZTLGTQOOGGN-CQSZACIVSA-N 0 3 383.221 3.606 20 5 GHBDHN C[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153601201 855285032 /nfs/dbraw/zinc/28/50/32/855285032.db2.gz ZNUYUAJYKYKIHO-LRDDRELGSA-N 0 3 384.354 3.704 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H](c1ccccc1)N(C)C ZINC000508900132 856196179 /nfs/dbraw/zinc/19/61/79/856196179.db2.gz XCWIFEJNIVDJLY-HRAATJIYSA-N 0 3 396.491 3.960 20 5 GHBDHN O=C(CCN[C@H](c1ccc(F)cc1)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000591727659 856233994 /nfs/dbraw/zinc/23/39/94/856233994.db2.gz OCKQQGYYKAZCCG-UYAOXDASSA-N 0 3 387.411 3.572 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001128745584 856409108 /nfs/dbraw/zinc/40/91/08/856409108.db2.gz PIAVCXMNNGRJPJ-HNNXBMFYSA-N 0 3 398.301 3.516 20 5 GHBDHN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000173312409 856849429 /nfs/dbraw/zinc/84/94/29/856849429.db2.gz OBUSMKFYDJRACF-CYBMUJFWSA-N 0 3 395.381 3.864 20 5 GHBDHN COc1ccccc1C(C)(C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129049788 856850906 /nfs/dbraw/zinc/85/09/06/856850906.db2.gz ZLODWSOPOOJXFW-UHFFFAOYSA-N 0 3 375.400 3.596 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000592694878 857028341 /nfs/dbraw/zinc/02/83/41/857028341.db2.gz OPAVZZQYIVOZDR-GOSISDBHSA-N 0 3 397.475 3.729 20 5 GHBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301698035 857217573 /nfs/dbraw/zinc/21/75/73/857217573.db2.gz CBCMCTWVXOZTEX-RBUKOAKNSA-N 0 3 379.460 3.746 20 5 GHBDHN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183500 857222439 /nfs/dbraw/zinc/22/24/39/857222439.db2.gz NFAIOPYLQPUXBA-DYESRHJHSA-N 0 3 396.491 3.962 20 5 GHBDHN COc1cc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cc([N+](=O)[O-])c1C ZINC001128250670 857391845 /nfs/dbraw/zinc/39/18/45/857391845.db2.gz YICNARJZPBAZKF-LJQANCHMSA-N 0 3 399.491 3.798 20 5 GHBDHN COc1cc(C[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)c([N+](=O)[O-])cc1[O-] ZINC000486450102 857753476 /nfs/dbraw/zinc/75/34/76/857753476.db2.gz UDUHIVMWPOXVKZ-CQSZACIVSA-N 0 3 381.432 3.746 20 5 GHBDHN CN(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000521289751 857830735 /nfs/dbraw/zinc/83/07/35/857830735.db2.gz MSMLLQQYUGSFQI-ZDUSSCGKSA-N 0 3 377.857 3.968 20 5 GHBDHN O=[N+]([O-])c1cncc(Br)c1NC1CCN(Cc2ccccc2)CC1 ZINC000301831020 858118174 /nfs/dbraw/zinc/11/81/74/858118174.db2.gz IBTDIBCZWMPVHW-UHFFFAOYSA-N 0 3 391.269 3.829 20 5 GHBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521673568 858231779 /nfs/dbraw/zinc/23/17/79/858231779.db2.gz WEXQSYQAYVGFNE-ZIAGYGMSSA-N 0 3 388.493 3.711 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCOc3ccc4c(c3)OCO4)o2)c1 ZINC000521817020 858352068 /nfs/dbraw/zinc/35/20/68/858352068.db2.gz SDIRWHLTZKXFFG-UHFFFAOYSA-N 0 3 382.372 3.752 20 5 GHBDHN CCN1CCN(c2ccccc2N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595028622 858372150 /nfs/dbraw/zinc/37/21/50/858372150.db2.gz FFNORWKJDGIYAW-MRXNPFEDSA-N 0 3 384.480 3.918 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000595029739 858373257 /nfs/dbraw/zinc/37/32/57/858373257.db2.gz YHDXLQPXRKOLFY-CQSZACIVSA-N 0 3 384.411 3.822 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000439110914 858390029 /nfs/dbraw/zinc/39/00/29/858390029.db2.gz KTXNYPNEEXAIGT-QGZVFWFLSA-N 0 3 387.867 3.951 20 5 GHBDHN N[C@@H]1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[C@H]1F ZINC000595261153 858456727 /nfs/dbraw/zinc/45/67/27/858456727.db2.gz SZMSJGBMUFFXSL-HUUCEWRRSA-N 0 3 393.802 3.552 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1C(F)(F)F ZINC000301885815 858509875 /nfs/dbraw/zinc/50/98/75/858509875.db2.gz PLKLTIOISNQHMF-HOTGVXAUSA-N 0 3 395.381 3.661 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000466233918 858796497 /nfs/dbraw/zinc/79/64/97/858796497.db2.gz XTHHWWREGYMSTC-GOSISDBHSA-N 0 3 390.871 3.659 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000615201589 858824893 /nfs/dbraw/zinc/82/48/93/858824893.db2.gz CTDMCTAWXLPXPS-AWEZNQCLSA-N 0 3 389.839 3.526 20 5 GHBDHN O=[N+]([O-])c1ccc(NCC2CCN(Cc3ccncc3)CC2)c(OC(F)F)c1 ZINC000596439481 858897183 /nfs/dbraw/zinc/89/71/83/858897183.db2.gz CTVXOQMEBJXWGB-UHFFFAOYSA-N 0 3 392.406 3.915 20 5 GHBDHN O=[N+]([O-])c1c(NCC2CCN(Cc3ccncc3)CC2)ccc2ncccc21 ZINC000596440438 858898332 /nfs/dbraw/zinc/89/83/32/858898332.db2.gz KXKYTBXWULRXCC-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN O=[N+]([O-])c1ccc(NCC2CCN(Cc3ccncc3)CC2)c2ncccc12 ZINC000596442907 858899279 /nfs/dbraw/zinc/89/92/79/858899279.db2.gz VBXWUHHLSYTLBB-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCO[C@@H]3CCCCO3)cs2)c1 ZINC000922234045 859112918 /nfs/dbraw/zinc/11/29/18/859112918.db2.gz QSASUQLZBCUTLQ-QGZVFWFLSA-N 0 3 377.466 3.741 20 5 GHBDHN O=C(NCCN1CCCCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494267023 881391614 /nfs/dbraw/zinc/39/16/14/881391614.db2.gz CSQWVGIBBJQGSI-UHFFFAOYSA-N 0 3 397.475 3.780 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000160844236 859271347 /nfs/dbraw/zinc/27/13/47/859271347.db2.gz ADKDOGIGNATFCD-HZPDHXFCSA-N 0 3 393.447 3.767 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000597092206 859279534 /nfs/dbraw/zinc/27/95/34/859279534.db2.gz JJVFHHVTHYFILX-GXFFZTMASA-N 0 3 395.847 3.674 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000601621558 859382440 /nfs/dbraw/zinc/38/24/40/859382440.db2.gz OBTFRBACQTYODS-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN CCC[C@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000483762772 859584811 /nfs/dbraw/zinc/58/48/11/859584811.db2.gz ZARKCBSBERTDRF-FPOVZHCZSA-N 0 3 394.475 3.864 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1CCC2(CCOCC2)CO1 ZINC000895536631 859632288 /nfs/dbraw/zinc/63/22/88/859632288.db2.gz MTHALXBDRYXEHG-HNNXBMFYSA-N 0 3 388.386 3.679 20 5 GHBDHN Cn1cc(CN2CCCO[C@@H](c3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611268317 859673725 /nfs/dbraw/zinc/67/37/25/859673725.db2.gz VIDSERFFMXXZSW-OAQYLSRUSA-N 0 3 392.459 3.959 20 5 GHBDHN COC[C@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000611396681 859736912 /nfs/dbraw/zinc/73/69/12/859736912.db2.gz FRRTXDRAELXZCI-HNNXBMFYSA-N 0 3 384.354 3.970 20 5 GHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026808 859750690 /nfs/dbraw/zinc/75/06/90/859750690.db2.gz KUESDKALNRAKLO-YWZLYKJASA-N 0 3 375.469 3.989 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](c3ccccc3)c3cccnc3)CC2)cn1 ZINC000602535754 860104528 /nfs/dbraw/zinc/10/45/28/860104528.db2.gz RWFUOWLVUFIVTN-QFIPXVFZSA-N 0 3 389.459 3.733 20 5 GHBDHN CN(C)C(=O)c1cccc(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000602556311 860108587 /nfs/dbraw/zinc/10/85/87/860108587.db2.gz LACZDQRHTSHYTR-UHFFFAOYSA-N 0 3 395.381 3.648 20 5 GHBDHN COc1c2ccccc2oc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602640927 860174691 /nfs/dbraw/zinc/17/46/91/860174691.db2.gz FBJFLIYIHCTCPQ-UHFFFAOYSA-N 0 3 382.420 3.503 20 5 GHBDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124142391 860242924 /nfs/dbraw/zinc/24/29/24/860242924.db2.gz MHZDLPUGRIKNQA-INIZCTEOSA-N 0 3 385.464 3.839 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(-c4cccnc4)c3)C2)nc1 ZINC000093534390 860297712 /nfs/dbraw/zinc/29/77/12/860297712.db2.gz WJZJSHWEMITIIA-LJQANCHMSA-N 0 3 375.432 3.738 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000552257854 860412226 /nfs/dbraw/zinc/41/22/26/860412226.db2.gz ZRAWVTSRULBHJQ-FBBABVLZSA-N 0 3 397.475 3.783 20 5 GHBDHN COc1cc(CCCNCc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1O ZINC000598647410 860481529 /nfs/dbraw/zinc/48/15/29/860481529.db2.gz CKJJQFSSUDNHEC-UHFFFAOYSA-N 0 3 380.828 3.693 20 5 GHBDHN Cc1ccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000129954215 860715933 /nfs/dbraw/zinc/71/59/33/860715933.db2.gz XSCHJIHDNXXCHC-LBPRGKRZSA-N 0 3 390.371 3.630 20 5 GHBDHN CCN(CC)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccsc1 ZINC000603628480 860930523 /nfs/dbraw/zinc/93/05/23/860930523.db2.gz TUZJJJXCGUQADS-KRWDZBQOSA-N 0 3 387.465 3.800 20 5 GHBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000126414063 861040103 /nfs/dbraw/zinc/04/01/03/861040103.db2.gz QGMIVHJQWUNFKU-CVEARBPZSA-N 0 3 382.464 3.873 20 5 GHBDHN COC(=O)C[C@@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000898480720 864000896 /nfs/dbraw/zinc/00/08/96/864000896.db2.gz JPEMHQJUIPUFIE-OCCSQVGLSA-N 0 3 375.450 3.540 20 5 GHBDHN Cc1ccc(Sc2ccc(CN[C@H](C)C[S@](C)=O)cc2[N+](=O)[O-])cc1 ZINC000184260019 864286336 /nfs/dbraw/zinc/28/63/36/864286336.db2.gz MQLORTBMBGQGBX-PWECECGKSA-N 0 3 378.519 3.911 20 5 GHBDHN CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCCC1 ZINC000475224461 864602943 /nfs/dbraw/zinc/60/29/43/864602943.db2.gz OASGUYPFADXCKU-UHFFFAOYSA-N 0 3 388.390 3.952 20 5 GHBDHN CNc1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000609017872 865893818 /nfs/dbraw/zinc/89/38/18/865893818.db2.gz JILDVWQYVWPRHC-IBGZPJMESA-N 0 3 382.464 3.594 20 5 GHBDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000054295165 866613109 /nfs/dbraw/zinc/61/31/09/866613109.db2.gz XZHHYHCZBBEQJI-UHFFFAOYSA-N 0 3 395.459 3.827 20 5 GHBDHN CCOc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000459444627 867022114 /nfs/dbraw/zinc/02/21/14/867022114.db2.gz COGYKLXIMZRWCJ-UHFFFAOYSA-N 0 3 395.253 3.794 20 5 GHBDHN Cc1ccccc1C[C@@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742149321 867103600 /nfs/dbraw/zinc/10/36/00/867103600.db2.gz KGUAUFIFRDBDRG-IBGZPJMESA-N 0 3 377.448 3.826 20 5 GHBDHN C[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000742962639 867700779 /nfs/dbraw/zinc/70/07/79/867700779.db2.gz NQAFTQNYXMQIHF-ZVBPTUHVSA-N 0 3 379.460 3.731 20 5 GHBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)c(F)c1 ZINC000534969475 867844217 /nfs/dbraw/zinc/84/42/17/867844217.db2.gz QDRAQVXJOUQJAL-UHFFFAOYSA-N 0 3 393.802 3.817 20 5 GHBDHN COC(=O)c1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000440714563 868215149 /nfs/dbraw/zinc/21/51/49/868215149.db2.gz LRVJWCRFJCRJGZ-KRWDZBQOSA-N 0 3 375.400 3.544 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553818630 868246702 /nfs/dbraw/zinc/24/67/02/868246702.db2.gz BCDGMGAYTNEZIO-YLJYHZDGSA-N 0 3 396.491 3.614 20 5 GHBDHN COc1ccc(OC(=O)C2CCN(c3ccc(C(C)C)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000744035104 868563961 /nfs/dbraw/zinc/56/39/61/868563961.db2.gz OSDZKRJAJKJNDM-KRWDZBQOSA-N 0 3 398.415 3.685 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000524201454 868696773 /nfs/dbraw/zinc/69/67/73/868696773.db2.gz NCMRWTGDFNGGHA-GOEBONIOSA-N 0 3 378.432 3.641 20 5 GHBDHN CC[C@]1(O)CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428431206 869372063 /nfs/dbraw/zinc/37/20/63/869372063.db2.gz RVSCKBCSLKYZDL-NRFANRHFSA-N 0 3 386.448 3.529 20 5 GHBDHN C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000524885154 869730746 /nfs/dbraw/zinc/73/07/46/869730746.db2.gz KZKNAKLLAKEOJK-ZWKOTPCHSA-N 0 3 396.491 3.962 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181208783 870282023 /nfs/dbraw/zinc/28/20/23/870282023.db2.gz VQJSGYQYMQANGF-JXFKEZNVSA-N 0 3 383.448 3.599 20 5 GHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CNC2(CO)CCCCC2)cc1OC ZINC001192390590 870331147 /nfs/dbraw/zinc/33/11/47/870331147.db2.gz NGXIQPSENTXFMU-OAHLLOKOSA-N 0 3 380.485 3.813 20 5 GHBDHN COc1cc(OC)c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000540168260 870652146 /nfs/dbraw/zinc/65/21/46/870652146.db2.gz HAPGGSSCKVHGJD-LBPRGKRZSA-N 0 3 380.828 3.995 20 5 GHBDHN CC(C)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000540427084 871258515 /nfs/dbraw/zinc/25/85/15/871258515.db2.gz OAKDOOPMXHKETB-BEFAXECRSA-N 0 3 380.391 3.600 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@H](NCc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC001193906492 871388413 /nfs/dbraw/zinc/38/84/13/871388413.db2.gz MKXNMMRRGNWBMF-KRWDZBQOSA-N 0 3 381.448 3.907 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000462190730 871757807 /nfs/dbraw/zinc/75/78/07/871757807.db2.gz QLOLXYNCZSFUED-YWZLYKJASA-N 0 3 399.466 3.648 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ccccc4Cl)CC3)nc2c1 ZINC000460347965 872802437 /nfs/dbraw/zinc/80/24/37/872802437.db2.gz DMZLUIXUJARPQO-UHFFFAOYSA-N 0 3 385.855 3.837 20 5 GHBDHN Cc1ccccc1N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000170905910 872804865 /nfs/dbraw/zinc/80/48/65/872804865.db2.gz FDCCZWSKWDEDKP-UHFFFAOYSA-N 0 3 392.459 3.923 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000478356594 872890923 /nfs/dbraw/zinc/89/09/23/872890923.db2.gz ONZOICXPYCRTGL-LBPRGKRZSA-N 0 3 386.345 3.694 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000775692698 872949618 /nfs/dbraw/zinc/94/96/18/872949618.db2.gz FLMMHLSNPBJKQP-BBRMVZONSA-N 0 3 381.448 3.907 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000464092522 873226237 /nfs/dbraw/zinc/22/62/37/873226237.db2.gz LNVOJTVEZHHKAT-HZPDHXFCSA-N 0 3 388.411 3.887 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000541326437 873376178 /nfs/dbraw/zinc/37/61/78/873376178.db2.gz GPVPKDQIHUPABQ-HNNXBMFYSA-N 0 3 392.402 3.672 20 5 GHBDHN COc1cc(CNC[C@H]2CCCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541555157 873858605 /nfs/dbraw/zinc/85/86/05/873858605.db2.gz OTSXFLVOPVONCR-GFCCVEGCSA-N 0 3 376.425 3.623 20 5 GHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000770446263 874689068 /nfs/dbraw/zinc/68/90/68/874689068.db2.gz SWKUBBLWLRHDJG-WLFHQHCLSA-N 0 3 395.459 3.570 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H](O)CCc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000542313177 875353343 /nfs/dbraw/zinc/35/33/43/875353343.db2.gz NSYGQZWSALDOGY-KRWDZBQOSA-N 0 3 396.443 3.947 20 5 GHBDHN CC(C)CN1CCO[C@@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409506 875674773 /nfs/dbraw/zinc/67/47/73/875674773.db2.gz HUKODKIUCQQPBG-VXKWHMMOSA-N 0 3 383.492 3.631 20 5 GHBDHN CC(C)CN1CCO[C@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409507 875675441 /nfs/dbraw/zinc/67/54/41/875675441.db2.gz HUKODKIUCQQPBG-YADHBBJMSA-N 0 3 383.492 3.631 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H]2COc2ccc(Cl)cc2)cc1 ZINC000776273781 876136499 /nfs/dbraw/zinc/13/64/99/876136499.db2.gz AKHWZTQENQFNLO-PKOBYXMFSA-N 0 3 376.840 3.825 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C[C@@H](C)O1 ZINC000450371681 876344222 /nfs/dbraw/zinc/34/42/22/876344222.db2.gz JLUWZAFCWUFNEO-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C[C@H](C)O1 ZINC000450371682 876344497 /nfs/dbraw/zinc/34/44/97/876344497.db2.gz JLUWZAFCWUFNEO-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN CCOc1ccc([C@H](C)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850585638 877059457 /nfs/dbraw/zinc/05/94/57/877059457.db2.gz XRWDBIUWUGXXBJ-MGPLVRAMSA-N 0 3 384.354 3.795 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000537677287 883116521 /nfs/dbraw/zinc/11/65/21/883116521.db2.gz FGGIBXMTJSVZPY-APWZRJJASA-N 0 3 381.476 3.913 20 5 GHBDHN CC(C)(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610045719 877326940 /nfs/dbraw/zinc/32/69/40/877326940.db2.gz LRBWHCXTQFSKRH-FQEVSTJZSA-N 0 3 381.476 3.653 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nc(-c2ccncc2)cs1 ZINC000610150952 877435620 /nfs/dbraw/zinc/43/56/20/877435620.db2.gz SZKULSRFZDCAPQ-UHFFFAOYSA-N 0 3 384.461 3.844 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179623900 877759677 /nfs/dbraw/zinc/75/96/77/877759677.db2.gz ISURWGSRUAYWRC-MRXNPFEDSA-N 0 3 393.390 3.951 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451345917 877795565 /nfs/dbraw/zinc/79/55/65/877795565.db2.gz RKHIATJCQJXBBZ-RNJTYBCJSA-N 0 3 386.452 3.721 20 5 GHBDHN COc1cc(C(=O)NCCN2CCC3(CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000451456476 877980185 /nfs/dbraw/zinc/98/01/85/877980185.db2.gz SKDMDBNNABLMLZ-UHFFFAOYSA-N 0 3 393.459 3.519 20 5 GHBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000152391650 877987646 /nfs/dbraw/zinc/98/76/46/877987646.db2.gz LUWKJKZVWUNMRO-JOCHJYFZSA-N 0 3 378.428 3.997 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000776591607 878298460 /nfs/dbraw/zinc/29/84/60/878298460.db2.gz KZUHRXFQAIBJDH-SFTDATJTSA-N 0 3 398.484 3.926 20 5 GHBDHN O=C(N1CCC[C@@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1)C(F)(F)F ZINC000852601864 878458518 /nfs/dbraw/zinc/45/85/18/878458518.db2.gz VRTZVAYTUPRUJP-MRXNPFEDSA-N 0 3 399.413 3.608 20 5 GHBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc2ccccc21 ZINC000538143409 878893171 /nfs/dbraw/zinc/89/31/71/878893171.db2.gz HXXQDYJHKQNGEZ-OAHLLOKOSA-N 0 3 375.428 3.988 20 5 GHBDHN Cc1cccc([C@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(C)(C)C)c1 ZINC000538235469 879096132 /nfs/dbraw/zinc/09/61/32/879096132.db2.gz STNCDUIRKLSITE-FQEVSTJZSA-N 0 3 399.447 3.947 20 5 GHBDHN C[C@@H](CCN1CCN(C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302237529 879621302 /nfs/dbraw/zinc/62/13/02/879621302.db2.gz GOPZVRWTFIWIJL-NSHDSACASA-N 0 3 394.825 3.705 20 5 GHBDHN COC[C@](C)(CCO)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000531410309 879776201 /nfs/dbraw/zinc/77/62/01/879776201.db2.gz IBYYSLPBYCHVDL-FQEVSTJZSA-N 0 3 390.505 3.932 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1F ZINC000790549821 879807215 /nfs/dbraw/zinc/80/72/15/879807215.db2.gz CKAUKFWBJXPRNQ-ACJLOTCBSA-N 0 3 391.468 3.917 20 5 GHBDHN CSc1ccc(C(=O)N(CCN(C)C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000609167183 879963659 /nfs/dbraw/zinc/96/36/59/879963659.db2.gz UTVVWIIKFTUSHN-UHFFFAOYSA-N 0 3 379.526 3.901 20 5 GHBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)C[C@@H]21 ZINC000452976825 880266817 /nfs/dbraw/zinc/26/68/17/880266817.db2.gz PPRWEBJODMHHFP-BEFAXECRSA-N 0 3 383.473 3.522 20 5 GHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000520261447 880509660 /nfs/dbraw/zinc/50/96/60/880509660.db2.gz SAGGOBBFHCDHBG-UHFFFAOYSA-N 0 3 386.477 3.830 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC001183501525 912597563 /nfs/dbraw/zinc/59/75/63/912597563.db2.gz XMORCWMBKOSDLW-JXFKEZNVSA-N 0 3 393.447 3.540 20 5 GHBDHN Cc1c([C@H](C)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000531978985 880860233 /nfs/dbraw/zinc/86/02/33/880860233.db2.gz RVFUDRAGXDWENO-NJNPRVFISA-N 0 3 383.492 3.843 20 5 GHBDHN CCCN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H]1CCc2ccccc2C1 ZINC000919950780 881239193 /nfs/dbraw/zinc/23/91/93/881239193.db2.gz MSKUUGMAJWXYSB-OAHLLOKOSA-N 0 3 393.285 3.781 20 5 GHBDHN CC1CCN(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000494260060 881326619 /nfs/dbraw/zinc/32/66/19/881326619.db2.gz QYNUQHYUYUEQNC-UHFFFAOYSA-N 0 3 397.475 3.636 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000609787714 883681929 /nfs/dbraw/zinc/68/19/29/883681929.db2.gz VGDLOUDJVHXTKO-SFHVURJKSA-N 0 3 387.867 3.572 20 5 GHBDHN CCOC1CC(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000795889718 912958041 /nfs/dbraw/zinc/95/80/41/912958041.db2.gz LTWYJWMRODQQPL-UHFFFAOYSA-N 0 3 387.402 3.551 20 5 GHBDHN COCC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000495433471 885756608 /nfs/dbraw/zinc/75/66/08/885756608.db2.gz OCWAPYNTSLWBES-GUYCJALGSA-N 0 3 375.425 3.581 20 5 GHBDHN CC[C@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532480987 885799765 /nfs/dbraw/zinc/79/97/65/885799765.db2.gz LEZSOKHWIAXERK-FCHUYYIVSA-N 0 3 382.508 3.624 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000808787834 886780621 /nfs/dbraw/zinc/78/06/21/886780621.db2.gz CFKZOAJRZUFGFU-FDFHNCONSA-N 0 3 378.428 3.693 20 5 GHBDHN COc1cc(CNCC2(SC)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000193646141 887132679 /nfs/dbraw/zinc/13/26/79/887132679.db2.gz CTXRFUJPKDKEGC-UHFFFAOYSA-N 0 3 394.415 3.920 20 5 GHBDHN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000575943710 887880414 /nfs/dbraw/zinc/88/04/14/887880414.db2.gz VGFAYKLBTZQQFX-NSHDSACASA-N 0 3 377.347 3.522 20 5 GHBDHN CN(C)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC000809913434 887935652 /nfs/dbraw/zinc/93/56/52/887935652.db2.gz JVPAKDIZNGERIH-CQSZACIVSA-N 0 3 380.807 3.812 20 5 GHBDHN COc1ccc([C@H](C)N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000154178284 890173009 /nfs/dbraw/zinc/17/30/09/890173009.db2.gz HHMBIEGPDRYYRJ-KBPBESRZSA-N 0 3 387.436 3.680 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000455168876 890416227 /nfs/dbraw/zinc/41/62/27/890416227.db2.gz LVYGUWFUOMCVAC-INIZCTEOSA-N 0 3 398.463 3.589 20 5 GHBDHN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533429134 890540754 /nfs/dbraw/zinc/54/07/54/890540754.db2.gz NGGJOQMIGWDKDU-FSPWUOQZSA-N 0 3 395.887 3.712 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H](C)[C@@H](O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000533466144 890623711 /nfs/dbraw/zinc/62/37/11/890623711.db2.gz PTCGQLUBDMUKFT-VFNWGFHPSA-N 0 3 396.443 3.945 20 5 GHBDHN C[C@H](NC1CCN(C(=O)c2ccccc2F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021296 891120987 /nfs/dbraw/zinc/12/09/87/891120987.db2.gz AQYBCKMDXWRDOU-ZDUSSCGKSA-N 0 3 389.402 3.828 20 5 GHBDHN CC(COC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)[N+](=O)[O-] ZINC000813101450 891273343 /nfs/dbraw/zinc/27/33/43/891273343.db2.gz APWWHTXCGDWTOZ-SECBINFHSA-N 0 3 388.207 3.575 20 5 GHBDHN Cc1ccc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3cnn(C(C)C)c3n2)s1 ZINC000813108895 891302458 /nfs/dbraw/zinc/30/24/58/891302458.db2.gz BUKJTDLWAALVLF-LLVKDONJSA-N 0 3 388.449 3.871 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000497371041 891304349 /nfs/dbraw/zinc/30/43/49/891304349.db2.gz YEYIZFTWAGSQOH-SFHVURJKSA-N 0 3 396.472 3.751 20 5 GHBDHN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813111072 891304501 /nfs/dbraw/zinc/30/45/01/891304501.db2.gz BYAMJADPRLBMGF-VIFPVBQESA-N 0 3 379.825 3.871 20 5 GHBDHN Cc1cc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3c(C)noc3n2)c(C)s1 ZINC000813111970 891305493 /nfs/dbraw/zinc/30/54/93/891305493.db2.gz LXEFBIRDMQQAJY-QMMMGPOBSA-N 0 3 375.406 3.699 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1 ZINC000497765901 892368106 /nfs/dbraw/zinc/36/81/06/892368106.db2.gz JSBCMDBYLNGLEQ-FQEVSTJZSA-N 0 3 392.459 3.738 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)N(C)C)cc1 ZINC000533827028 893150178 /nfs/dbraw/zinc/15/01/78/893150178.db2.gz JYMNMSYOWJWNCK-NRFANRHFSA-N 0 3 396.491 3.528 20 5 GHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000194608133 893490472 /nfs/dbraw/zinc/49/04/72/893490472.db2.gz FCEGZAXPEJAMRG-HXUWFJFHSA-N 0 3 382.464 3.501 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC(c4c[nH]cn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000536669902 893499995 /nfs/dbraw/zinc/49/99/95/893499995.db2.gz DSGKRLGBUYBMGC-UHFFFAOYSA-N 0 3 382.420 3.966 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cccc(Br)c3Cl)C2)c1 ZINC000877587001 893703397 /nfs/dbraw/zinc/70/33/97/893703397.db2.gz AWZOHEUNSBCJMP-UHFFFAOYSA-N 0 3 385.649 3.701 20 5 GHBDHN COc1cccc2c1C[C@H](NCc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000459701935 894095559 /nfs/dbraw/zinc/09/55/59/894095559.db2.gz NSGFNVUEKGCSOS-OAHLLOKOSA-N 0 3 381.457 3.984 20 5 GHBDHN C[C@@H](C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000564005854 894442930 /nfs/dbraw/zinc/44/29/30/894442930.db2.gz QYGDENZRRYAPOZ-DLBZAZTESA-N 0 3 399.466 3.960 20 5 GHBDHN CCN(CC)C(=O)[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000565799185 895888987 /nfs/dbraw/zinc/88/89/87/895888987.db2.gz DGXHDECHDKWPNC-NRFANRHFSA-N 0 3 394.475 3.818 20 5 GHBDHN COc1ccc([C@H](CNc2nc3ccccn3c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000024340369 896080987 /nfs/dbraw/zinc/08/09/87/896080987.db2.gz ZDQFWHHFPAARCQ-KRWDZBQOSA-N 0 3 381.436 3.500 20 5 GHBDHN CC1(C)C[C@H](NCc2ccc(N3CCNC3=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000883287271 897447582 /nfs/dbraw/zinc/44/75/82/897447582.db2.gz QCDODCMLFLUXFP-IBGZPJMESA-N 0 3 380.448 3.637 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000820732731 897501275 /nfs/dbraw/zinc/50/12/75/897501275.db2.gz YZWCAFGQDYPLMO-UHFFFAOYSA-N 0 3 397.475 3.668 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000568787306 898100292 /nfs/dbraw/zinc/10/02/92/898100292.db2.gz WUVPWKAQHFCVOA-GFCCVEGCSA-N 0 3 398.301 3.516 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000822190528 898248794 /nfs/dbraw/zinc/24/87/94/898248794.db2.gz DTFQTSYOQQAZKH-UHFFFAOYSA-N 0 3 391.855 3.890 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001202594952 898259332 /nfs/dbraw/zinc/25/93/32/898259332.db2.gz CXYLXMSMFPSWTQ-DZFIZOCASA-N 0 3 399.447 3.810 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112915761 898943249 /nfs/dbraw/zinc/94/32/49/898943249.db2.gz RNIHATNQNGUTSI-UHFFFAOYSA-N 0 3 377.828 3.578 20 5 GHBDHN Cc1cccc(S(=O)(=O)CCCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000155825488 899113613 /nfs/dbraw/zinc/11/36/13/899113613.db2.gz YPHZEFLDQXPLJY-INIZCTEOSA-N 0 3 376.478 3.726 20 5 GHBDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093454688 901549124 /nfs/dbraw/zinc/54/91/24/901549124.db2.gz MMNRNIVQZWLRFS-FQEVSTJZSA-N 0 3 396.447 3.534 20 5 GHBDHN COc1cc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc(OC)c1 ZINC000845873788 902474941 /nfs/dbraw/zinc/47/49/41/902474941.db2.gz WCVOCDMHDLRACE-RBZFPXEDSA-N 0 3 391.395 3.725 20 5 GHBDHN COc1ccc(O[C@H](C)C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845873380 902474968 /nfs/dbraw/zinc/47/49/68/902474968.db2.gz CXDSMZLYOHNJLC-JCGVRSQUSA-N 0 3 377.368 3.551 20 5 GHBDHN COc1ccc(/C=C\C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845873617 902475276 /nfs/dbraw/zinc/47/52/76/902475276.db2.gz VKVAMEIAFQFNQM-PRVIYGKKSA-N 0 3 389.379 3.806 20 5 GHBDHN CC([C@@H](OC(=O)CCc1nc(C2CCCC2)no1)c1ccccc1F)[N+](=O)[O-] ZINC000845873312 902475312 /nfs/dbraw/zinc/47/53/12/902475312.db2.gz CIKWIXBKTCXMNC-KPZWWZAWSA-N 0 3 391.399 3.749 20 5 GHBDHN COc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC(F)F ZINC000845874415 902476616 /nfs/dbraw/zinc/47/66/16/902476616.db2.gz IEUGUROOMKFHPY-HWPZZCPQSA-N 0 3 399.321 3.999 20 5 GHBDHN COc1cccc2c1OCC(C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])=C2 ZINC000845874618 902476745 /nfs/dbraw/zinc/47/67/45/902476745.db2.gz IWNSXLOELJPUEM-KZULUSFZSA-N 0 3 387.363 3.560 20 5 GHBDHN CCO[C@H](C)c1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845874829 902477882 /nfs/dbraw/zinc/47/78/82/902477882.db2.gz IUNPCAKRLGLDMU-HFAKWTLXSA-N 0 3 382.413 3.943 20 5 GHBDHN COc1cccc2[nH]cc(CC(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])c21 ZINC000845878769 902482550 /nfs/dbraw/zinc/48/25/50/902482550.db2.gz SQAHUGVNXPLCJK-YUNKPMOVSA-N 0 3 386.379 3.808 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(O[C@H]2CCOC2)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882948 902488159 /nfs/dbraw/zinc/48/81/59/902488159.db2.gz QNQPVGQKASJHPN-ACWOFJMJSA-N 0 3 389.379 3.557 20 5 GHBDHN CCOC(=O)Oc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845884380 902489608 /nfs/dbraw/zinc/48/96/08/902489608.db2.gz YQIJTMDHTBBBEM-PXAZEXFGSA-N 0 3 391.351 3.924 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C)cc1 ZINC000577295310 902657305 /nfs/dbraw/zinc/65/73/05/902657305.db2.gz VTRHFIOEVPZZAT-SFHVURJKSA-N 0 3 398.488 3.831 20 5 GHBDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000132028775 903196795 /nfs/dbraw/zinc/19/67/95/903196795.db2.gz RSBXPFSKMXLUPZ-KRWDZBQOSA-N 0 3 391.399 3.639 20 5 GHBDHN CN(C(=O)CS[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000577869337 903288818 /nfs/dbraw/zinc/28/88/18/903288818.db2.gz FVLUTHQOMCYGEP-FQEVSTJZSA-N 0 3 399.516 3.955 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCOC4(CCCCC4)C3)CC2)c(F)c1 ZINC001173015167 906092740 /nfs/dbraw/zinc/09/27/40/906092740.db2.gz JYCOPXRUCGDCGK-UHFFFAOYSA-N 0 3 395.450 3.877 20 5 GHBDHN CCOC(=O)C[C@@H]1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001173191262 906274307 /nfs/dbraw/zinc/27/43/07/906274307.db2.gz BZYGLBHKLZPDLU-ZNMIVQPWSA-N 0 3 396.459 3.585 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001173228593 906313206 /nfs/dbraw/zinc/31/32/06/906313206.db2.gz RMYYCVMMINIZQP-FYINFDKHSA-N 0 3 397.450 3.511 20 5 GHBDHN COc1ccc(-c2ccncc2)cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365989659 921277520 /nfs/dbraw/zinc/27/75/20/921277520.db2.gz FPGJIJLYJZWRQA-UHFFFAOYSA-N 0 3 393.447 3.699 20 5 GHBDHN COc1cc(CNC(C)(C)[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC001175531206 907605819 /nfs/dbraw/zinc/60/58/19/907605819.db2.gz ICRNVFPISLBZSX-MRXNPFEDSA-N 0 3 388.411 3.685 20 5 GHBDHN C[C@H]1CN(Cc2cccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000192731594 907868970 /nfs/dbraw/zinc/86/89/70/907868970.db2.gz XIAGCBYGCMCDTQ-GAJHUEQPSA-N 0 3 395.503 3.983 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000773631410 908486793 /nfs/dbraw/zinc/48/67/93/908486793.db2.gz BDDMSAOKKPAPPE-UHFFFAOYSA-N 0 3 375.469 3.818 20 5 GHBDHN CCN1CCN(c2ccc(N[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000774270852 911599662 /nfs/dbraw/zinc/59/96/62/911599662.db2.gz HLODRPSIEOLROB-WOJBJXKFSA-N 0 3 398.511 3.529 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298570110 920676681 /nfs/dbraw/zinc/67/66/81/920676681.db2.gz BRCZLJCJJLVCFR-UHFFFAOYSA-N 0 3 383.404 3.671 20 5 GHBDHN COCc1cc([N+](=O)[O-])ccc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000368444565 922678625 /nfs/dbraw/zinc/67/86/25/922678625.db2.gz CMPRCZRLNBGYCN-UHFFFAOYSA-N 0 3 387.402 3.958 20 5 GHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000410056383 925279997 /nfs/dbraw/zinc/27/99/97/925279997.db2.gz YDNCXOBDHXQQCN-FQEVSTJZSA-N 0 3 381.476 3.798 20 5 GHBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000410463705 925663056 /nfs/dbraw/zinc/66/30/56/925663056.db2.gz FBXNYDPZOGJNSB-CQSZACIVSA-N 0 3 393.365 3.747 20 5 GHBDHN CC(C)(CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000827594304 925820679 /nfs/dbraw/zinc/82/06/79/925820679.db2.gz FPAWTVUFUSKFIF-MRXNPFEDSA-N 0 3 377.268 3.559 20 5 GHBDHN CCCN(Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000725782757 926436895 /nfs/dbraw/zinc/43/68/95/926436895.db2.gz NNYSYLGVHBYXEJ-FQEVSTJZSA-N 0 3 385.512 3.742 20 5 GHBDHN Cc1ccc(Cl)c(OC[C@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000544429069 929169687 /nfs/dbraw/zinc/16/96/87/929169687.db2.gz HKCKVUZRQTTXML-GOEBONIOSA-N 0 3 378.856 3.956 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467690206 929306140 /nfs/dbraw/zinc/30/61/40/929306140.db2.gz CCJRBQCWZQGZAK-BEFAXECRSA-N 0 3 394.475 3.562 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000467717224 929334218 /nfs/dbraw/zinc/33/42/18/929334218.db2.gz ZTYIHOOZNWSCHK-LIRRHRJNSA-N 0 3 381.432 3.600 20 5 GHBDHN Cc1c(CC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000469482571 929929493 /nfs/dbraw/zinc/92/94/93/929929493.db2.gz VLHXSINAAAWSKJ-HXUWFJFHSA-N 0 3 383.492 3.719 20 5 GHBDHN COC(=O)/C=C\c1ccc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000758252763 929988739 /nfs/dbraw/zinc/98/87/39/929988739.db2.gz SPZBKACUNYWPRR-VMIKWKOGSA-N 0 3 381.432 3.638 20 5 GHBDHN CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758268951 929996800 /nfs/dbraw/zinc/99/68/00/929996800.db2.gz VAOIUOJAUGVYCG-FXAWDEMLSA-N 0 3 384.411 3.893 20 5 GHBDHN O=C(CCN1CCS[C@H](c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782499761 931243392 /nfs/dbraw/zinc/24/33/92/931243392.db2.gz VMSKIJJZCQBXPX-SFHVURJKSA-N 0 3 389.452 3.853 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCCOc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000783641852 931604650 /nfs/dbraw/zinc/60/46/50/931604650.db2.gz JSTXCTRELJWLEY-UHFFFAOYSA-N 0 3 375.734 3.831 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCCNc2ccc(-c3ccccc3)nn2)cc1Cl ZINC000783651487 931607879 /nfs/dbraw/zinc/60/78/79/931607879.db2.gz QXIOFCSDQSTULT-UHFFFAOYSA-N 0 3 383.839 3.907 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000783846510 931688456 /nfs/dbraw/zinc/68/84/56/931688456.db2.gz RCAOHVQJTZLRRY-WMZOPIPTSA-N 0 3 397.500 3.830 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000797082702 932174752 /nfs/dbraw/zinc/17/47/52/932174752.db2.gz WZUUHSQMQDSJTO-CFCCAZDESA-N 0 3 397.450 3.980 20 5 GHBDHN Cc1ccc(CN2CCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)cc1 ZINC001115858017 933223227 /nfs/dbraw/zinc/22/32/27/933223227.db2.gz FAKZBRPFPKWFKO-UHFFFAOYSA-N 0 3 394.475 3.500 20 5 GHBDHN C[C@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001116460098 933572929 /nfs/dbraw/zinc/57/29/29/933572929.db2.gz YVBPZEYOECMRJC-LBPRGKRZSA-N 0 3 381.354 3.694 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000561804782 934467777 /nfs/dbraw/zinc/46/77/77/934467777.db2.gz LLSWHJXHFHMNKP-WMZOPIPTSA-N 0 3 382.464 3.996 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000931313790 934500253 /nfs/dbraw/zinc/50/02/53/934500253.db2.gz QEGIPRLXSRBQDU-DZFYGRHCSA-N 0 3 375.450 3.557 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)c1ccccc1F)[C@H]1CC[C@H](O)CC1 ZINC000828807486 935715757 /nfs/dbraw/zinc/71/57/57/935715757.db2.gz NVRCVFLRTVEIPW-CBGDNZLLSA-N 0 3 388.439 3.573 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000561263651 1017824341 /nfs/dbraw/zinc/82/43/41/1017824341.db2.gz ZXXYJDQRDZNSMU-UHFFFAOYSA-N 0 3 398.301 3.695 20 5 GHBDHN Cc1cc2[nH]c(O[C@@H]3CCCN([C@@H](C)c4ccccn4)C3)nc2cc1[N+](=O)[O-] ZINC001228674182 1033036488 /nfs/dbraw/zinc/03/64/88/1033036488.db2.gz INQSZQHIGSFFAM-LSDHHAIUSA-N 0 3 381.436 3.779 20 5 GHBDHN Cc1cc2[nH]c(O[C@@H]3CCCN([C@H](C)c4ccccn4)C3)nc2cc1[N+](=O)[O-] ZINC001228674181 1033036777 /nfs/dbraw/zinc/03/67/77/1033036777.db2.gz INQSZQHIGSFFAM-HUUCEWRRSA-N 0 3 381.436 3.779 20 5 GHBDHN CC(C)(C)OC(=O)Nc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000756116622 1023526494 /nfs/dbraw/zinc/52/64/94/1023526494.db2.gz AGJLSLCREWNZEG-UHFFFAOYSA-N 0 3 388.424 3.505 20 5 GHBDHN COc1cc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC001161929627 1025501181 /nfs/dbraw/zinc/50/11/81/1025501181.db2.gz GVQPMYQYLGJRSS-OAHLLOKOSA-N 0 3 377.466 3.923 20 5 GHBDHN O=[N+]([O-])c1ccc(CCN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000839156849 1025660214 /nfs/dbraw/zinc/66/02/14/1025660214.db2.gz JKRJEARSVBBYJY-HXUWFJFHSA-N 0 3 376.403 3.861 20 5 GHBDHN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001461053800 1069364189 /nfs/dbraw/zinc/36/41/89/1069364189.db2.gz MNGIQYQTRWOQDM-BEFAXECRSA-N 0 3 385.851 3.595 20 5 GHBDHN COCCN(C)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163386021 1026172270 /nfs/dbraw/zinc/17/22/70/1026172270.db2.gz SKEUGBHMCKZKCD-KRWDZBQOSA-N 0 3 378.860 3.683 20 5 GHBDHN COCCN(C)[C@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163386615 1026172423 /nfs/dbraw/zinc/17/24/23/1026172423.db2.gz YNXUVZNAWMKYEY-MRXNPFEDSA-N 0 3 378.860 3.683 20 5 GHBDHN Cc1ccc(-c2nc3sccc3c(N3CC(C)(N(C)C)C3)n2)cc1[N+](=O)[O-] ZINC001165121555 1026617404 /nfs/dbraw/zinc/61/74/04/1026617404.db2.gz VFXNGMSYKSVBEE-UHFFFAOYSA-N 0 3 383.477 3.715 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccc4cc([N+](=O)[O-])ccc4n3)n2)cc1 ZINC001217421427 1030380744 /nfs/dbraw/zinc/38/07/44/1030380744.db2.gz BHJLXFZQHXPWHH-UHFFFAOYSA-N 0 3 375.388 3.922 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O[C@H]1CNCc2ccccc21 ZINC001218492504 1030960360 /nfs/dbraw/zinc/96/03/60/1030960360.db2.gz YUUQYQFISAHJMZ-AWEZNQCLSA-N 0 3 383.282 3.745 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC001157522084 1033635289 /nfs/dbraw/zinc/63/52/89/1033635289.db2.gz LZFNSJCQHFMUKE-IBGZPJMESA-N 0 3 399.491 3.934 20 5 GHBDHN Cc1cc(N2CCN[C@H](c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157766516 1033760297 /nfs/dbraw/zinc/76/02/97/1033760297.db2.gz IHKLKVSHOGVAAL-IBGZPJMESA-N 0 3 375.432 3.511 20 5 GHBDHN O=[N+]([O-])c1sc(CNCC[C@@H]2COc3ccccc3O2)cc1Br ZINC001206327451 1033798388 /nfs/dbraw/zinc/79/83/88/1033798388.db2.gz AYUIYCYQZXSAQU-SNVBAGLBSA-N 0 3 399.266 3.739 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)ccc1[N+](=O)[O-] ZINC001207137749 1034120838 /nfs/dbraw/zinc/12/08/38/1034120838.db2.gz IOXVRYKTVMOSKE-UKRRQHHQSA-N 0 3 390.440 3.837 20 5 GHBDHN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001276650473 1035313815 /nfs/dbraw/zinc/31/38/15/1035313815.db2.gz ITAYMUHOYYRRPQ-APWZRJJASA-N 0 3 385.851 3.595 20 5 GHBDHN O=[N+]([O-])c1cccc2c1ccnc2OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001234676165 1040207453 /nfs/dbraw/zinc/20/74/53/1040207453.db2.gz JSEGVJATZYRCMY-SFHVURJKSA-N 0 3 393.443 3.813 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@]12CCCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595125 1040367448 /nfs/dbraw/zinc/36/74/48/1040367448.db2.gz VLLXRXNSGMXCAZ-GHTZIAJQSA-N 0 3 387.480 3.537 20 5 GHBDHN O=C1Nc2ccccc2CN1C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600365 1040371833 /nfs/dbraw/zinc/37/18/33/1040371833.db2.gz PJTASORWOPEIGW-HXUWFJFHSA-N 0 3 392.459 3.574 20 5 GHBDHN CN(CCCN(C)Cc1ccc([N+](=O)[O-])cc1Br)Cc1ccco1 ZINC001257438624 1043998796 /nfs/dbraw/zinc/99/87/96/1043998796.db2.gz VTQYWFXGFHEOIS-UHFFFAOYSA-N 0 3 396.285 3.904 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001293958762 1044395046 /nfs/dbraw/zinc/39/50/46/1044395046.db2.gz GMVZLYIPRUHFEG-OAHLLOKOSA-N 0 3 379.526 3.805 20 5 GHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)N(C)C)cc1 ZINC001298901997 1045982108 /nfs/dbraw/zinc/98/21/08/1045982108.db2.gz ZLIAPSDLCDFODJ-HXUWFJFHSA-N 0 3 387.455 3.965 20 5 GHBDHN CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001266065637 1047705794 /nfs/dbraw/zinc/70/57/94/1047705794.db2.gz ZAHUFOWIBYYOLE-NRFANRHFSA-N 0 3 393.487 3.749 20 5 GHBDHN CO[C@](C)(CNCc1ccc(Cl)cc1[N+](=O)[O-])COCc1ccccc1 ZINC000702821094 1047713494 /nfs/dbraw/zinc/71/34/94/1047713494.db2.gz XDDOQPMDYHTOTP-LJQANCHMSA-N 0 3 378.856 3.960 20 5 GHBDHN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307607987 1049445757 /nfs/dbraw/zinc/44/57/57/1049445757.db2.gz FVZNQCUSVUNUNM-JOCHJYFZSA-N 0 3 394.475 3.784 20 5 GHBDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC001307745969 1049557440 /nfs/dbraw/zinc/55/74/40/1049557440.db2.gz FMGOQDKAPKDPJF-XNJGSVPQSA-N 0 3 381.448 3.858 20 5 GHBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001307892657 1049671135 /nfs/dbraw/zinc/67/11/35/1049671135.db2.gz ATCOUKIGOUFYBB-QLDGJZPUSA-N 0 3 383.492 3.612 20 5 GHBDHN Cc1ccc(C[C@@]2(C)CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC001307971764 1049730887 /nfs/dbraw/zinc/73/08/87/1049730887.db2.gz FDPAKRJJEHDUOS-HSZRJFAPSA-N 0 3 393.487 3.890 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308022785 1049774309 /nfs/dbraw/zinc/77/43/09/1049774309.db2.gz RXCRLZLUWNQZEY-RDJZCZTQSA-N 0 3 375.469 3.816 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001310799037 1051598210 /nfs/dbraw/zinc/59/82/10/1051598210.db2.gz AQFXQDCILMPKRA-OAHLLOKOSA-N 0 3 378.429 3.754 20 5 GHBDHN C[C@H](CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001312253725 1052662302 /nfs/dbraw/zinc/66/23/02/1052662302.db2.gz LWLUVPHXNALMJC-AOIWGVFYSA-N 0 3 396.491 3.661 20 5 GHBDHN CN(C)CCn1cc(NC(=O)c2c3ccccc3cc3ccccc32)ccc1=O ZINC001319498950 1055291537 /nfs/dbraw/zinc/29/15/37/1055291537.db2.gz CLNUYEHXAMZWAE-UHFFFAOYSA-N 0 3 385.467 3.969 20 5 GHBDHN COc1cc(CN2CCCN(Cc3ccc(C)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC001319690898 1055400541 /nfs/dbraw/zinc/40/05/41/1055400541.db2.gz KEJLLGGBHHVVGP-UHFFFAOYSA-N 0 3 399.491 3.628 20 5 GHBDHN CC(C)N(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@@H]1CCC(=O)N1 ZINC001325289546 1057306657 /nfs/dbraw/zinc/30/66/57/1057306657.db2.gz ITWTWHAAPRWKSS-AWEZNQCLSA-N 0 3 391.855 3.997 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001327283429 1057633478 /nfs/dbraw/zinc/63/34/78/1057633478.db2.gz YMQDPYRCIQWONV-CYBMUJFWSA-N 0 3 393.241 3.525 20 5 GHBDHN Cc1c(CC(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001437027873 1063742243 /nfs/dbraw/zinc/74/22/43/1063742243.db2.gz JMGXUAGOLVGVNL-NRFANRHFSA-N 0 3 395.503 3.957 20 5 GHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(CC3CC3)CC2)cc1OC ZINC001459318234 1064061429 /nfs/dbraw/zinc/06/14/29/1064061429.db2.gz OECCGDGGJLROMY-MRXNPFEDSA-N 0 3 391.512 3.556 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc2)CC1 ZINC001464395068 1064986753 /nfs/dbraw/zinc/98/67/53/1064986753.db2.gz AYYAFQVCVSFOQO-FQEVSTJZSA-N 0 3 399.466 3.866 20 5 GHBDHN CC1CCC(N2CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC2)CC1 ZINC001353603033 1066075965 /nfs/dbraw/zinc/07/59/65/1066075965.db2.gz SASWEVVVIAYRDO-UHFFFAOYSA-N 0 3 385.508 3.739 20 5 GHBDHN CC[C@@H](NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC001460684985 1069084558 /nfs/dbraw/zinc/08/45/58/1069084558.db2.gz BIAOORFUSDQJHT-BXUZGUMPSA-N 0 3 380.832 3.593 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cnn(CC2CCC2)c1 ZINC001460918144 1069273144 /nfs/dbraw/zinc/27/31/44/1069273144.db2.gz LWCSQUXMAFTKLT-OAHLLOKOSA-N 0 3 385.468 3.579 20 5 GHBDHN Cc1ccc(CNC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC001471081725 1072914870 /nfs/dbraw/zinc/91/48/70/1072914870.db2.gz GESGFGPVBVJNSN-KRWDZBQOSA-N 0 3 396.491 3.567 20 5 GHBDHN C[C@@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001471321601 1073018483 /nfs/dbraw/zinc/01/84/83/1073018483.db2.gz LZJMLYZHPLESKM-QZTJIDSGSA-N 0 3 396.491 3.962 20 5 GHBDHN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001472831828 1073686132 /nfs/dbraw/zinc/68/61/32/1073686132.db2.gz UHLGUSJUOHFUDV-HXUWFJFHSA-N 0 3 384.436 3.850 20 5 GHBDHN CC[C@@H](Cc1ccccc1)N(CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001473270160 1073900317 /nfs/dbraw/zinc/90/03/17/1073900317.db2.gz ONXBHARKERQMSD-KRWDZBQOSA-N 0 3 385.464 3.885 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H]3CN(c4ccccc4)CCO3)C2)cc1 ZINC001473486953 1073985487 /nfs/dbraw/zinc/98/54/87/1073985487.db2.gz VRVDDIKFHYSOMB-KNQAVFIVSA-N 0 3 381.476 3.680 20 5 GHBDHN Cc1nc(C2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]c1C ZINC001473801788 1074149533 /nfs/dbraw/zinc/14/95/33/1074149533.db2.gz HZLICURHJQTIBC-CQSZACIVSA-N 0 3 396.451 3.925 20 5 GHBDHN Cc1ccc(C[C@H](CO)NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1C ZINC001474169356 1074282538 /nfs/dbraw/zinc/28/25/38/1074282538.db2.gz DFEZQLDTKPXJNB-MRXNPFEDSA-N 0 3 380.391 3.506 20 5 GHBDHN C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824586295 609151839 /nfs/dbraw/zinc/15/18/39/609151839.db2.gz XQPBJSRZGMQZGU-CYBMUJFWSA-N 0 3 384.415 3.588 20 5 GHBDHN C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824586295 609151841 /nfs/dbraw/zinc/15/18/41/609151841.db2.gz XQPBJSRZGMQZGU-CYBMUJFWSA-N 0 3 384.415 3.588 20 5 GHBDHN Cn1c(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc2cc(Cl)ccc21 ZINC000581231202 837486192 /nfs/dbraw/zinc/48/61/92/837486192.db2.gz YTYMTGFZCNNNJC-BBRMVZONSA-N 0 3 388.859 3.605 20 5 GHBDHN COc1ccc(OCCN(C)[C@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000173379310 837698165 /nfs/dbraw/zinc/69/81/65/837698165.db2.gz DEXZRKWGSFPFEY-HNNXBMFYSA-N 0 3 377.466 3.757 20 5 GHBDHN Cc1c(-c2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cccc1[N+](=O)[O-] ZINC000583735105 834950280 /nfs/dbraw/zinc/95/02/80/834950280.db2.gz SZBVIEYPTQOCBV-MRXNPFEDSA-N 0 3 379.420 3.728 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)cc1 ZINC000536164398 835265148 /nfs/dbraw/zinc/26/51/48/835265148.db2.gz AGCUWCIUSNQFMA-OAQYLSRUSA-N 0 3 394.475 3.600 20 5 GHBDHN C[C@H](CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[S@@](C)=O ZINC000133741847 835471630 /nfs/dbraw/zinc/47/16/30/835471630.db2.gz DYBCZTXDCZNGGE-SRGMZFCMSA-N 0 3 380.441 3.773 20 5 GHBDHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000584163765 835709310 /nfs/dbraw/zinc/70/93/10/835709310.db2.gz GGNIBNOCOAORCL-KRWDZBQOSA-N 0 3 397.456 3.628 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000411760667 836335394 /nfs/dbraw/zinc/33/53/94/836335394.db2.gz XBGLXAKINICCNC-INIZCTEOSA-N 0 3 377.828 3.554 20 5 GHBDHN CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000188954302 838005706 /nfs/dbraw/zinc/00/57/06/838005706.db2.gz WHHAHPUWQSAEDZ-UHFFFAOYSA-N 0 3 392.459 3.652 20 5 GHBDHN COc1cc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000188963952 838007333 /nfs/dbraw/zinc/00/73/33/838007333.db2.gz AKMMVTKYLFKXON-UHFFFAOYSA-N 0 3 397.475 3.648 20 5 GHBDHN CCN1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000548038403 838652778 /nfs/dbraw/zinc/65/27/78/838652778.db2.gz BRUUQMFKPLNGER-WBVHZDCISA-N 0 3 377.488 3.626 20 5 GHBDHN COc1cccc([C@@H]2[C@H](NCc3ccc([N+](=O)[O-])cc3OC)CCN2C2CC2)c1 ZINC000549117091 838665629 /nfs/dbraw/zinc/66/56/29/838665629.db2.gz KAEQGKFQHGOAHI-IFMALSPDSA-N 0 3 397.475 3.680 20 5 GHBDHN COc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000104705392 838900597 /nfs/dbraw/zinc/90/05/97/838900597.db2.gz TYQUUHIYNNKTTL-FQEVSTJZSA-N 0 3 387.411 3.812 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000412374084 839224187 /nfs/dbraw/zinc/22/41/87/839224187.db2.gz WOURZPZXQKLEBO-XUVXKRRUSA-N 0 3 399.516 3.839 20 5 GHBDHN CCOC(=O)c1csc(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)n1 ZINC000190210791 839275684 /nfs/dbraw/zinc/27/56/84/839275684.db2.gz MUJCBVQOQWUSFV-UHFFFAOYSA-N 0 3 386.433 3.739 20 5 GHBDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000408099029 840216039 /nfs/dbraw/zinc/21/60/39/840216039.db2.gz JAONNWXRYCOJOC-JHJVBQTASA-N 0 3 383.290 3.594 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(Cn3cncn3)cc1)CCCC2 ZINC000417324136 840725088 /nfs/dbraw/zinc/72/50/88/840725088.db2.gz PQZKHXKQSAVYPD-NRFANRHFSA-N 0 3 377.448 3.792 20 5 GHBDHN C[C@@H]1CN(CCCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C[C@@H](C)O1 ZINC000573570877 844594551 /nfs/dbraw/zinc/59/45/51/844594551.db2.gz NGOMDCCXMHGIGN-CPUCHLNUSA-N 0 3 389.418 3.677 20 5 GHBDHN O=[N+]([O-])c1ccc(CCNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000105448127 841267968 /nfs/dbraw/zinc/26/79/68/841267968.db2.gz LNRKWFXMAMGYEH-UHFFFAOYSA-N 0 3 383.429 3.779 20 5 GHBDHN C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000109347997 841872609 /nfs/dbraw/zinc/87/26/09/841872609.db2.gz UXHBVSNBUAANQW-YJBOKZPZSA-N 0 3 385.439 3.823 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[S@@]4=O)s2)cc1 ZINC000600206292 861276514 /nfs/dbraw/zinc/27/65/14/861276514.db2.gz DLOZMNBARSMNCH-LEHBWIKQSA-N 0 3 376.503 3.809 20 5 GHBDHN CC1(C)C[C@@H](NCc2ccccc2Cn2cncn2)c2cc([N+](=O)[O-])ccc21 ZINC000279040005 842502204 /nfs/dbraw/zinc/50/22/04/842502204.db2.gz JHSHJJTWAKTFDH-HXUWFJFHSA-N 0 3 377.448 3.747 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279127789 842624210 /nfs/dbraw/zinc/62/42/10/842624210.db2.gz AVWNCBNVMALPSD-UHFFFAOYSA-N 0 3 379.819 3.939 20 5 GHBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000408351875 842742687 /nfs/dbraw/zinc/74/26/87/842742687.db2.gz JQEXDLZCLPGPJT-XQQFMLRXSA-N 0 3 383.290 3.594 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600229022 861350564 /nfs/dbraw/zinc/35/05/64/861350564.db2.gz NPPGZXAVBCKJIB-RHSMWYFYSA-N 0 3 377.510 3.599 20 5 GHBDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001266938854 843621984 /nfs/dbraw/zinc/62/19/84/843621984.db2.gz RQTDIQIBJFPSFG-OAHLLOKOSA-N 0 3 388.237 3.508 20 5 GHBDHN Cc1c(CC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610969973 844937481 /nfs/dbraw/zinc/93/74/81/844937481.db2.gz JNFQTNCYSQOJBM-HXUWFJFHSA-N 0 3 381.476 3.789 20 5 GHBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1OCc1ccccc1 ZINC000472044876 845565897 /nfs/dbraw/zinc/56/58/97/845565897.db2.gz PHDYOTITVVAARS-UXHICEINSA-N 0 3 398.459 3.935 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000731466756 861639101 /nfs/dbraw/zinc/63/91/01/861639101.db2.gz AEMZZCOFOQYWBO-RHSMWYFYSA-N 0 3 385.489 3.595 20 5 GHBDHN CC[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000582099378 846353969 /nfs/dbraw/zinc/35/39/69/846353969.db2.gz GBLLLNMGNCHDCV-OXQOHEQNSA-N 0 3 381.476 3.651 20 5 GHBDHN O=[N+]([O-])c1cccc(CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551387046 846358056 /nfs/dbraw/zinc/35/80/56/846358056.db2.gz MXKQZEPJBCNALV-QHCPKHFHSA-N 0 3 395.503 3.850 20 5 GHBDHN CN(C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000119984551 846649314 /nfs/dbraw/zinc/64/93/14/846649314.db2.gz CVLZXPSKKXSNQP-HXUWFJFHSA-N 0 3 382.464 3.572 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC000511118890 847171726 /nfs/dbraw/zinc/17/17/26/847171726.db2.gz BNYLAGIUZBURLW-HNNXBMFYSA-N 0 3 398.381 3.528 20 5 GHBDHN COc1cccc(C2=CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000479882540 847928565 /nfs/dbraw/zinc/92/85/65/847928565.db2.gz GEDGOVDNFDCPET-UHFFFAOYSA-N 0 3 381.432 3.721 20 5 GHBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611711295 848145407 /nfs/dbraw/zinc/14/54/07/848145407.db2.gz JQYAAVKEKVEZCW-AWEZNQCLSA-N 0 3 378.436 3.571 20 5 GHBDHN CN1CCC(N(C(=O)CSc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000612027072 848411258 /nfs/dbraw/zinc/41/12/58/848411258.db2.gz GDIVKNKCCDVXAF-UHFFFAOYSA-N 0 3 385.489 3.814 20 5 GHBDHN CC[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000612664571 848719815 /nfs/dbraw/zinc/71/98/15/848719815.db2.gz YIDODYVGNCBIHE-KRWDZBQOSA-N 0 3 377.448 3.639 20 5 GHBDHN C[C@H]1C[C@@H](O)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000430126952 850172757 /nfs/dbraw/zinc/17/27/57/850172757.db2.gz VXVGRLONYSYAPM-AAEUAGOBSA-N 0 3 395.253 3.963 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000504917990 850430052 /nfs/dbraw/zinc/43/00/52/850430052.db2.gz FNYBZJKTBPUPCZ-IYJAJMOOSA-N 0 3 394.418 3.881 20 5 GHBDHN CC[C@H]1CN(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000487209949 850562055 /nfs/dbraw/zinc/56/20/55/850562055.db2.gz XHIQDTMOPHQGMO-HNNXBMFYSA-N 0 3 393.871 3.709 20 5 GHBDHN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425012028 850863057 /nfs/dbraw/zinc/86/30/57/850863057.db2.gz YOOFFHOLHVZQCR-HNAYVOBHSA-N 0 3 385.851 3.595 20 5 GHBDHN COc1cccc(CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000604442767 862180962 /nfs/dbraw/zinc/18/09/62/862180962.db2.gz GKJNKHBOYNZASY-LJQANCHMSA-N 0 3 386.448 3.663 20 5 GHBDHN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000434230887 850910419 /nfs/dbraw/zinc/91/04/19/850910419.db2.gz YGRQYXDLKXNCBP-NVXWUHKLSA-N 0 3 399.495 3.739 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)N(C)C)cc1 ZINC000603730680 862271340 /nfs/dbraw/zinc/27/13/40/862271340.db2.gz MITYEENTDPFQES-GOSISDBHSA-N 0 3 381.432 3.936 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000515918566 851945517 /nfs/dbraw/zinc/94/55/17/851945517.db2.gz IPZWIFDFDBSMKU-SBNBMVPLSA-N 0 3 399.413 3.779 20 5 GHBDHN CSc1cccc(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000425606581 852188818 /nfs/dbraw/zinc/18/88/18/852188818.db2.gz MPIYKYVPFRKTGN-HNNXBMFYSA-N 0 3 385.489 3.840 20 5 GHBDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)cc1[N+](=O)[O-] ZINC000436830731 852379925 /nfs/dbraw/zinc/37/99/25/852379925.db2.gz RHJWMWDGHYTAHK-OAHLLOKOSA-N 0 3 383.448 3.564 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489633426 852498556 /nfs/dbraw/zinc/49/85/56/852498556.db2.gz RTKNEDOLZQRUQI-IAGOWNOFSA-N 0 3 384.480 3.784 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000151113526 853068013 /nfs/dbraw/zinc/06/80/13/853068013.db2.gz SGJAWFWWXITZFO-HXUWFJFHSA-N 0 3 385.439 3.538 20 5 GHBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518475392 853391767 /nfs/dbraw/zinc/39/17/67/853391767.db2.gz SNSPUHDIBLOMGU-ZWKOTPCHSA-N 0 3 397.258 3.871 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000571333749 853845545 /nfs/dbraw/zinc/84/55/45/853845545.db2.gz KMERSAZFNOTVGV-UHFFFAOYSA-N 0 3 392.525 3.640 20 5 GHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894980252 854330064 /nfs/dbraw/zinc/33/00/64/854330064.db2.gz MDSPIJZWHXYNHH-UHFFFAOYSA-N 0 3 382.342 3.631 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@H](C)Cc2ccc(OC)cc2)c1 ZINC000589503302 854912598 /nfs/dbraw/zinc/91/25/98/854912598.db2.gz PSCKVUFJARTLQL-OAHLLOKOSA-N 0 3 386.448 3.701 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H]2c3ccccc3CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000474001966 855909634 /nfs/dbraw/zinc/90/96/34/855909634.db2.gz OSQGAECQABGPBC-QRQCRPRQSA-N 0 3 398.459 3.950 20 5 GHBDHN CNC(=O)c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000237224066 855952030 /nfs/dbraw/zinc/95/20/30/855952030.db2.gz XEDWFKLSZBTTSH-UHFFFAOYSA-N 0 3 381.457 3.973 20 5 GHBDHN Cn1cc(N2CCC[C@@H](N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000245921284 857198153 /nfs/dbraw/zinc/19/81/53/857198153.db2.gz HAGMKMLSLMYARR-DENIHFKCSA-N 0 3 391.475 3.676 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc(-n3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000174378015 857276415 /nfs/dbraw/zinc/27/64/15/857276415.db2.gz VZNRDIAJCTUZRJ-CVEARBPZSA-N 0 3 393.447 3.767 20 5 GHBDHN Cc1nn(C)c(C)c1C[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174543796 857342007 /nfs/dbraw/zinc/34/20/07/857342007.db2.gz NYZCNBRCCXMBJS-LBPRGKRZSA-N 0 3 385.493 3.789 20 5 GHBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301711924 857356764 /nfs/dbraw/zinc/35/67/64/857356764.db2.gz ICGJFVYKHRDXCZ-BETUJISGSA-N 0 3 386.290 3.659 20 5 GHBDHN CC1(C)c2ccccc2CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000553007127 857522823 /nfs/dbraw/zinc/52/28/23/857522823.db2.gz HRCMVRYMVREFIJ-UHFFFAOYSA-N 0 3 381.432 3.686 20 5 GHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058763264 857567208 /nfs/dbraw/zinc/56/72/08/857567208.db2.gz VQLYDTMKDFKINW-HXUWFJFHSA-N 0 3 396.491 3.568 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000553025909 857570911 /nfs/dbraw/zinc/57/09/11/857570911.db2.gz SHHGXHUCSHREJP-YOEHRIQHSA-N 0 3 394.880 3.815 20 5 GHBDHN Cc1cc(NCc2ccc(N3CCCCC3)nc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543030285 857958654 /nfs/dbraw/zinc/95/86/54/857958654.db2.gz KIUPWVPOOCGZDZ-UHFFFAOYSA-N 0 3 377.448 3.871 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000439103197 858342391 /nfs/dbraw/zinc/34/23/91/858342391.db2.gz TZEGLYQKQBTQSF-CQSZACIVSA-N 0 3 375.856 3.807 20 5 GHBDHN CO[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCOC1 ZINC000594950116 858343631 /nfs/dbraw/zinc/34/36/31/858343631.db2.gz INNQDFAGGTUMKK-KZULUSFZSA-N 0 3 380.828 3.649 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H]([S@@](C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000594962655 858347380 /nfs/dbraw/zinc/34/73/80/858347380.db2.gz SIMBEBXWRAVVRC-UNPIYCOOSA-N 0 3 392.477 3.643 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1C(F)(F)F ZINC000301885817 858511407 /nfs/dbraw/zinc/51/14/07/858511407.db2.gz PLKLTIOISNQHMF-JKSUJKDBSA-N 0 3 395.381 3.661 20 5 GHBDHN COc1cccc([C@H]2[C@@H](NCc3ccc(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000595475940 858541704 /nfs/dbraw/zinc/54/17/04/858541704.db2.gz KWAMSLBBFOAZJS-FPOVZHCZSA-N 0 3 385.439 3.810 20 5 GHBDHN CCc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1[N+](=O)[O-] ZINC000121097236 858759714 /nfs/dbraw/zinc/75/97/14/858759714.db2.gz JMYSORXSNBQBLU-UHFFFAOYSA-N 0 3 397.475 3.614 20 5 GHBDHN O=[N+]([O-])c1cccc2c1ccnc2NCC1CCN(Cc2ccncc2)CC1 ZINC000596435630 858896150 /nfs/dbraw/zinc/89/61/50/858896150.db2.gz DKLNSAOOJNBABT-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN CCN(C)Cc1cc(O[C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552962 881380880 /nfs/dbraw/zinc/38/08/80/881380880.db2.gz IZWMEJULVIYVLB-RFFSMVSESA-N 0 3 396.491 3.608 20 5 GHBDHN O=C(CCNC1(c2cccc(Cl)c2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129888732 859483173 /nfs/dbraw/zinc/48/31/73/859483173.db2.gz LDGDOOYACMJVNH-UHFFFAOYSA-N 0 3 377.803 3.995 20 5 GHBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1CCN(C2CC2)C1 ZINC000611214134 859647156 /nfs/dbraw/zinc/64/71/56/859647156.db2.gz VIAZJTCGGSCTQJ-INIZCTEOSA-N 0 3 389.521 3.938 20 5 GHBDHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611266779 859673759 /nfs/dbraw/zinc/67/37/59/859673759.db2.gz MGUKSCGEUSPLLU-VGSWGCGISA-N 0 3 398.459 3.966 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC[C@H](n4ccnc4)C3)o2)c([N+](=O)[O-])c1 ZINC000611268159 859673886 /nfs/dbraw/zinc/67/38/86/859673886.db2.gz XGFAKYWGYDSLMF-HNNXBMFYSA-N 0 3 382.420 3.897 20 5 GHBDHN O=[N+]([O-])c1cc2c(cc1CN(Cc1ccccc1)CC1CCOCC1)OCCO2 ZINC000611271396 859676126 /nfs/dbraw/zinc/67/61/26/859676126.db2.gz BOEFSNHLPLJPKL-UHFFFAOYSA-N 0 3 398.459 3.795 20 5 GHBDHN O=C(NC1CC1)c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000611273967 859676861 /nfs/dbraw/zinc/67/68/61/859676861.db2.gz NXUOTMZZHPSKHA-UHFFFAOYSA-N 0 3 395.459 3.530 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611554404 859802728 /nfs/dbraw/zinc/80/27/28/859802728.db2.gz OOBPEHOTPJHMEJ-RYUDHWBXSA-N 0 3 389.374 3.595 20 5 GHBDHN COc1ccc(C[C@H](C)N2CC[C@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC001170347599 881471521 /nfs/dbraw/zinc/47/15/21/881471521.db2.gz SCNVFSWZEGKHLG-YJBOKZPZSA-N 0 3 386.448 3.696 20 5 GHBDHN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NCc2c([N+](=O)[O-])ncn2C)cc1 ZINC000484658273 860234246 /nfs/dbraw/zinc/23/42/46/860234246.db2.gz XBRYILWDEOTRCF-PKOBYXMFSA-N 0 3 388.468 3.597 20 5 GHBDHN O=[N+]([O-])c1sc(CNC[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1Br ZINC000896452977 860750453 /nfs/dbraw/zinc/75/04/53/860750453.db2.gz VOFMOHKBKSNROI-YGUOUDRMSA-N 0 3 397.294 3.601 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000481281548 860920741 /nfs/dbraw/zinc/92/07/41/860920741.db2.gz HJQBZYUXQQPZQM-IBGZPJMESA-N 0 3 386.452 3.806 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000603642362 860944281 /nfs/dbraw/zinc/94/42/81/860944281.db2.gz DDBODCDZNGWXIC-UHFFFAOYSA-N 0 3 398.463 3.652 20 5 GHBDHN Cc1c(CC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000126482644 861052260 /nfs/dbraw/zinc/05/22/60/861052260.db2.gz WPNRJUHCKNPATH-KRWDZBQOSA-N 0 3 381.476 3.569 20 5 GHBDHN COc1cc(CNCC2(OC)CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000482521742 863253222 /nfs/dbraw/zinc/25/32/22/863253222.db2.gz BDSQCKMZGCKDSI-UHFFFAOYSA-N 0 3 388.411 3.686 20 5 GHBDHN Cc1ccc(Sc2ccc(CN[C@@H](C)C[S@](C)=O)cc2[N+](=O)[O-])cc1 ZINC000184259999 864286685 /nfs/dbraw/zinc/28/66/85/864286685.db2.gz MQLORTBMBGQGBX-SXBQZSJRSA-N 0 3 378.519 3.911 20 5 GHBDHN C[C@H](C[S@](C)=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000184264974 864297562 /nfs/dbraw/zinc/29/75/62/864297562.db2.gz CQEBGHFKNAFBBS-YDBLSZJJSA-N 0 3 382.869 3.897 20 5 GHBDHN CC[S@@](=O)CCNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000735084856 864611604 /nfs/dbraw/zinc/61/16/04/864611604.db2.gz VAJDGCKJQTVZDD-RUZDIDTESA-N 0 3 378.519 3.913 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475304164 864740937 /nfs/dbraw/zinc/74/09/37/864740937.db2.gz LGOYDWYZGIDWKZ-HXUWFJFHSA-N 0 3 381.476 3.605 20 5 GHBDHN Cc1ccccc1[C@@H]1C[C@H](C)N(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000738054029 865488596 /nfs/dbraw/zinc/48/85/96/865488596.db2.gz FKFVCRKENXVANC-FUHWJXTLSA-N 0 3 377.448 3.997 20 5 GHBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000186501451 866015365 /nfs/dbraw/zinc/01/53/65/866015365.db2.gz MIZHWKYJTDGPLR-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN CSc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456295317 866357696 /nfs/dbraw/zinc/35/76/96/866357696.db2.gz ATFJXROFKAJGAK-MRXNPFEDSA-N 0 3 399.516 3.911 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000475575146 866387371 /nfs/dbraw/zinc/38/73/71/866387371.db2.gz YZICYTGQLPENMV-QFBILLFUSA-N 0 3 382.464 3.854 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000183303438 866601899 /nfs/dbraw/zinc/60/18/99/866601899.db2.gz GRRAHCCUARDFJZ-UHFFFAOYSA-N 0 3 379.460 3.705 20 5 GHBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCCC2 ZINC000429776086 867320322 /nfs/dbraw/zinc/32/03/22/867320322.db2.gz RFFVSWBTNQMFBJ-SJORKVTESA-N 0 3 395.887 3.904 20 5 GHBDHN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000462858210 870230059 /nfs/dbraw/zinc/23/00/59/870230059.db2.gz AGCKGUIEJIMDSG-KRWDZBQOSA-N 0 3 391.475 3.766 20 5 GHBDHN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001192535740 870496822 /nfs/dbraw/zinc/49/68/22/870496822.db2.gz IXMBZWNILFAAJX-JOCHJYFZSA-N 0 3 394.475 3.784 20 5 GHBDHN Cc1cccc(N2CCN(CCCCNc3ncc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000463054419 870762035 /nfs/dbraw/zinc/76/20/35/870762035.db2.gz GHNKYBLGVMIZDV-UHFFFAOYSA-N 0 3 383.496 3.621 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@@]2(CCO)CCOC2)cc1 ZINC000447082363 870962525 /nfs/dbraw/zinc/96/25/25/870962525.db2.gz OJLRMVDIXGLSCH-IBGZPJMESA-N 0 3 392.839 3.672 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@]2(CCO)CCOC2)cc1 ZINC000447082364 870962758 /nfs/dbraw/zinc/96/27/58/870962758.db2.gz OJLRMVDIXGLSCH-LJQANCHMSA-N 0 3 392.839 3.672 20 5 GHBDHN Cc1nc2ccccc2n1CCCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000463153729 871031558 /nfs/dbraw/zinc/03/15/58/871031558.db2.gz WSROQNZZKWRRFP-UHFFFAOYSA-N 0 3 379.464 3.877 20 5 GHBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2coc(-c3cccc(Br)c3)n2)C1 ZINC001169001950 871087100 /nfs/dbraw/zinc/08/71/00/871087100.db2.gz IQHQVXLYKOUQHK-FZMZJTMJSA-N 0 3 380.242 3.639 20 5 GHBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc2c(c1)CCCC2 ZINC001169065535 871151355 /nfs/dbraw/zinc/15/13/55/871151355.db2.gz SJOUGFISGQZTST-OAHLLOKOSA-N 0 3 379.460 3.714 20 5 GHBDHN Cc1c([C@H](C)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000539046566 871221584 /nfs/dbraw/zinc/22/15/84/871221584.db2.gz JBOSMCVNCXSAGH-TUIFFPIZSA-N 0 3 389.402 3.804 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462156647 871709071 /nfs/dbraw/zinc/70/90/71/871709071.db2.gz DHUSXKYDNKLTBD-OXQOHEQNSA-N 0 3 381.476 3.509 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2C[C@H](OCc3ccccc3)C2(C)C)c1 ZINC001194445218 871724130 /nfs/dbraw/zinc/72/41/30/871724130.db2.gz HFGDGNPEIIFFQV-PMACEKPBSA-N 0 3 398.459 3.855 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462204241 871806581 /nfs/dbraw/zinc/80/65/81/871806581.db2.gz PZIWCHHPHNXQFC-ZWOKBUDYSA-N 0 3 396.491 3.784 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000101930712 872392835 /nfs/dbraw/zinc/39/28/35/872392835.db2.gz XUSGHXWKNVXRBA-MRXNPFEDSA-N 0 3 382.464 3.702 20 5 GHBDHN CC(C)N1CCN(c2cccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000767382249 872482152 /nfs/dbraw/zinc/48/21/52/872482152.db2.gz BHHLYSIYGKFQBW-FLIBITNWSA-N 0 3 394.475 3.777 20 5 GHBDHN C[C@@H](C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000527194635 872764026 /nfs/dbraw/zinc/76/40/26/872764026.db2.gz UZAGLBUKNJVVGN-OLJMKKDRSA-N 0 3 399.413 3.620 20 5 GHBDHN CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000464044967 873116178 /nfs/dbraw/zinc/11/61/78/873116178.db2.gz HIFMHYYVYXXVBW-HNNXBMFYSA-N 0 3 385.489 3.912 20 5 GHBDHN Cc1c(Br)c(NC[C@H](c2cccs2)N(C)C)ncc1[N+](=O)[O-] ZINC000541590631 873901641 /nfs/dbraw/zinc/90/16/41/873901641.db2.gz BBBYCPADMGKOAG-LLVKDONJSA-N 0 3 385.287 3.837 20 5 GHBDHN COCC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000541648232 874016099 /nfs/dbraw/zinc/01/60/99/874016099.db2.gz FEGWXNDRFADXSB-QGZVFWFLSA-N 0 3 375.425 3.501 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)N2CCCC2)cc1 ZINC000747188795 882812697 /nfs/dbraw/zinc/81/26/97/882812697.db2.gz OPWRHOBHFAXRSN-NRFANRHFSA-N 0 3 396.491 3.536 20 5 GHBDHN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000770007741 874398643 /nfs/dbraw/zinc/39/86/43/874398643.db2.gz RWCHJIFZCYYSCU-HNNXBMFYSA-N 0 3 376.844 3.543 20 5 GHBDHN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000770007745 874398947 /nfs/dbraw/zinc/39/89/47/874398947.db2.gz RWCHJIFZCYYSCU-OAHLLOKOSA-N 0 3 376.844 3.543 20 5 GHBDHN O=C(C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1)N1CCCC1 ZINC000122478421 874607019 /nfs/dbraw/zinc/60/70/19/874607019.db2.gz POVHWLHGPNEYAP-UHFFFAOYSA-N 0 3 383.448 3.689 20 5 GHBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000443666217 874794424 /nfs/dbraw/zinc/79/44/24/874794424.db2.gz SAMPYRPBHILCPD-HZPDHXFCSA-N 0 3 391.512 3.512 20 5 GHBDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000443666218 874798378 /nfs/dbraw/zinc/79/83/78/874798378.db2.gz SAMPYRPBHILCPD-IYBDPMFKSA-N 0 3 391.512 3.512 20 5 GHBDHN O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542135998 875034822 /nfs/dbraw/zinc/03/48/22/875034822.db2.gz XGVJUTYVHUATQW-HXUWFJFHSA-N 0 3 385.851 3.878 20 5 GHBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2csc([N+](=O)[O-])c2)CC1 ZINC000105464714 875300289 /nfs/dbraw/zinc/30/02/89/875300289.db2.gz RSJCZJIUMDBXNF-AWEZNQCLSA-N 0 3 392.500 3.788 20 5 GHBDHN O=C(NC1CCCCC1)OC[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC001170062057 876885688 /nfs/dbraw/zinc/88/56/88/876885688.db2.gz JLKDIVOZZBSJST-LJQANCHMSA-N 0 3 375.469 3.661 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3cccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000450789655 876893738 /nfs/dbraw/zinc/89/37/38/876893738.db2.gz WYWSDASXKWJNIO-UHFFFAOYSA-N 0 3 382.464 3.938 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000850436044 876918786 /nfs/dbraw/zinc/91/87/86/876918786.db2.gz BVFFYRORCOXXKL-WBMJQRKESA-N 0 3 379.457 3.557 20 5 GHBDHN CSc1ccc(C(=O)OCC2CCN(Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000772694453 877108221 /nfs/dbraw/zinc/10/82/21/877108221.db2.gz RTVQXMZBQUXDIA-UHFFFAOYSA-N 0 3 390.461 3.979 20 5 GHBDHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000609992850 877288939 /nfs/dbraw/zinc/28/89/39/877288939.db2.gz XMUJPQUJNMNQAU-MRXNPFEDSA-N 0 3 383.423 3.535 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000610059160 877342994 /nfs/dbraw/zinc/34/29/94/877342994.db2.gz XAQUSVHWLPSEBN-FQEVSTJZSA-N 0 3 383.492 3.854 20 5 GHBDHN CN(C)Cc1ccc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 ZINC000272800141 877670157 /nfs/dbraw/zinc/67/01/57/877670157.db2.gz UHOUZHZMSCSSIB-GOSISDBHSA-N 0 3 393.403 3.572 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000068134144 877945952 /nfs/dbraw/zinc/94/59/52/877945952.db2.gz JVTNVUZTFVDENA-RDJZCZTQSA-N 0 3 377.510 3.552 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000451543489 878111116 /nfs/dbraw/zinc/11/11/16/878111116.db2.gz BZSZLPCMYUFSKJ-MJGOQNOKSA-N 0 3 395.459 3.695 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CNC2(c3ccc(Br)cc3)CC2)cc1 ZINC000776605835 878488780 /nfs/dbraw/zinc/48/87/80/878488780.db2.gz PGOVOAABVFLJTO-MRXNPFEDSA-N 0 3 377.238 3.670 20 5 GHBDHN Cc1c(CNC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000616313013 878755825 /nfs/dbraw/zinc/75/58/25/878755825.db2.gz CFEPVKMLSALIED-QGZVFWFLSA-N 0 3 396.491 3.709 20 5 GHBDHN Cc1cc([C@H](NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)ccc1F ZINC000538321324 879253981 /nfs/dbraw/zinc/25/39/81/879253981.db2.gz ZUICVXVVQKVWCN-OAQYLSRUSA-N 0 3 383.423 3.672 20 5 GHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854103028 879534608 /nfs/dbraw/zinc/53/46/08/879534608.db2.gz KQLLDZPWELPEOP-HNNXBMFYSA-N 0 3 392.463 3.726 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCNc2cnccn2)ccc1Oc1ccc(F)cc1 ZINC000531863156 880636389 /nfs/dbraw/zinc/63/63/89/880636389.db2.gz KEJZGOAVDHUVNC-UHFFFAOYSA-N 0 3 383.383 3.518 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000499126814 881199394 /nfs/dbraw/zinc/19/93/94/881199394.db2.gz XWEZNXAELFWOOX-RZQQEMMASA-N 0 3 384.480 3.955 20 5 GHBDHN CCC[C@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000858525970 883173747 /nfs/dbraw/zinc/17/37/47/883173747.db2.gz PKTZWRAXFJZWFP-MSOLQXFVSA-N 0 3 393.484 3.662 20 5 GHBDHN N=C(Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1ccc(Br)cc1F ZINC001170462386 883271394 /nfs/dbraw/zinc/27/13/94/883271394.db2.gz IHWMVCPHHSOMAF-UHFFFAOYSA-N 0 3 379.189 3.537 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000609784462 883679173 /nfs/dbraw/zinc/67/91/73/883679173.db2.gz TWWKKZZWIHKVBF-IBGZPJMESA-N 0 3 387.867 3.744 20 5 GHBDHN CN(C)C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000806120685 884380951 /nfs/dbraw/zinc/38/09/51/884380951.db2.gz DWRIMWHEUCMFJL-HNNXBMFYSA-N 0 3 380.807 3.812 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(Cl)s1 ZINC000026250781 885347820 /nfs/dbraw/zinc/34/78/20/885347820.db2.gz GIGLYVPVIQEFSK-UHFFFAOYSA-N 0 3 383.857 3.779 20 5 GHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)s1 ZINC000026250968 885355794 /nfs/dbraw/zinc/35/57/94/885355794.db2.gz IHHMYEOZUBOJFU-UHFFFAOYSA-N 0 3 398.282 3.879 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@H](c2ccc(OC)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000193344588 885656946 /nfs/dbraw/zinc/65/69/46/885656946.db2.gz WEDUPTPTYOXLDD-NRFANRHFSA-N 0 3 399.447 3.682 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488134844 889164427 /nfs/dbraw/zinc/16/44/27/889164427.db2.gz OHDPYWXNHINKEN-JLTOFOAXSA-N 0 3 397.500 3.959 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533292322 890206683 /nfs/dbraw/zinc/20/66/83/890206683.db2.gz DULXGNSHELGIBC-XWIAVFTESA-N 0 3 395.887 3.712 20 5 GHBDHN C[C@@H]1CCCN(CCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000917069033 890990003 /nfs/dbraw/zinc/99/00/03/890990003.db2.gz JFDDQGQRBWIAMN-SNVBAGLBSA-N 0 3 376.335 3.666 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000917090523 891089361 /nfs/dbraw/zinc/08/93/61/891089361.db2.gz WEXBKZANKAUSTR-SWRMPZFOSA-N 0 3 387.411 3.635 20 5 GHBDHN CCOC(=O)c1csc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)n1 ZINC000872065331 891135356 /nfs/dbraw/zinc/13/53/56/891135356.db2.gz YSUUZEQYUNNFMH-NSHDSACASA-N 0 3 395.506 3.843 20 5 GHBDHN Cc1cc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3cnn(C(C)C)c3n2)c(C)o1 ZINC000813105290 891302242 /nfs/dbraw/zinc/30/22/42/891302242.db2.gz LKBIPKLKVZXNNX-NSHDSACASA-N 0 3 386.408 3.711 20 5 GHBDHN CC(COC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[N+](=O)[O-] ZINC000813111965 891304958 /nfs/dbraw/zinc/30/49/58/891304958.db2.gz YGYOREQGPUOHBC-MRVPVSSYSA-N 0 3 375.233 3.868 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H]3CCc3ccccc3)n2)c1 ZINC000917478118 892040733 /nfs/dbraw/zinc/04/07/33/892040733.db2.gz JSLZRFBEEOSLDO-LJQANCHMSA-N 0 3 377.448 3.908 20 5 GHBDHN CCOc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(Br)c1[O-] ZINC000459414172 893479859 /nfs/dbraw/zinc/47/98/59/893479859.db2.gz VANVJSDDPWSDFR-UHFFFAOYSA-N 0 3 395.253 3.794 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459502796 893640959 /nfs/dbraw/zinc/64/09/59/893640959.db2.gz FAJNHPYKUFUDOO-UHFFFAOYSA-N 0 3 376.482 3.869 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876700 913866119 /nfs/dbraw/zinc/86/61/19/913866119.db2.gz QXMGMLVQCXOJLH-MRXNPFEDSA-N 0 3 384.436 3.599 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000537242769 894640930 /nfs/dbraw/zinc/64/09/30/894640930.db2.gz UPKAIQVGQCLEKC-LJQANCHMSA-N 0 3 397.475 3.869 20 5 GHBDHN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccnc3ccccc32)CC1 ZINC000816562917 894945644 /nfs/dbraw/zinc/94/56/44/894945644.db2.gz DEXYDFDJDCYRRT-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN CCN1CCN(C[C@H](C)CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000565086485 895382709 /nfs/dbraw/zinc/38/27/09/895382709.db2.gz OWPIOMXRTCNKKK-CYBMUJFWSA-N 0 3 388.434 3.608 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000565795082 895885296 /nfs/dbraw/zinc/88/52/96/895885296.db2.gz JAOOQVDFQBXNCO-JXFKEZNVSA-N 0 3 381.476 3.652 20 5 GHBDHN O=C(Nc1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000818969388 896329637 /nfs/dbraw/zinc/32/96/37/896329637.db2.gz OQTWQGOBKIZKBB-FQEVSTJZSA-N 0 3 383.448 3.547 20 5 GHBDHN C[C@H]1C[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001185743988 914056527 /nfs/dbraw/zinc/05/65/27/914056527.db2.gz AJVIZVLXZISKRR-DOTOQJQBSA-N 0 3 392.459 3.522 20 5 GHBDHN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000819639131 896881232 /nfs/dbraw/zinc/88/12/32/896881232.db2.gz CHVJHCORQSYXTQ-HNAYVOBHSA-N 0 3 385.851 3.595 20 5 GHBDHN O=C(C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(F)cc1 ZINC000567349624 897084193 /nfs/dbraw/zinc/08/41/93/897084193.db2.gz XMPGVMRPALPPSJ-GOSISDBHSA-N 0 3 385.439 3.652 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000568010726 897534429 /nfs/dbraw/zinc/53/44/29/897534429.db2.gz QLCZFAAGFRXYCH-FQEVSTJZSA-N 0 3 385.489 3.711 20 5 GHBDHN CC(C)(C(=O)OCC1CCN(Cc2ccco2)CC1)c1ccccc1[N+](=O)[O-] ZINC000796994562 898933794 /nfs/dbraw/zinc/93/37/94/898933794.db2.gz AHEOSJISGRKHNF-UHFFFAOYSA-N 0 3 386.448 3.921 20 5 GHBDHN CC(C)(C)O[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001171057927 899649939 /nfs/dbraw/zinc/64/99/39/899649939.db2.gz JNHVYYZGFKPEGP-LSDHHAIUSA-N 0 3 383.876 3.759 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576065490 901639610 /nfs/dbraw/zinc/63/96/10/901639610.db2.gz ZQSHINNMQVIAKK-JJRVBVJISA-N 0 3 391.493 3.914 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576065492 901640864 /nfs/dbraw/zinc/64/08/64/901640864.db2.gz ZQSHINNMQVIAKK-ZQIUZPCESA-N 0 3 391.493 3.914 20 5 GHBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])oc2c1C(=O)CCC2 ZINC000845875412 902479765 /nfs/dbraw/zinc/47/97/65/902479765.db2.gz MFVICXWKVOHJGR-ZMZPIMSZSA-N 0 3 375.352 3.809 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc2c(c1)NC(=O)C2(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845881845 902485225 /nfs/dbraw/zinc/48/52/25/902485225.db2.gz MKQDVLAZWFVZHN-APPDUMDISA-N 0 3 386.379 3.619 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)Cc1cnc2ccccc2n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882367 902486510 /nfs/dbraw/zinc/48/65/10/902486510.db2.gz ONSXJIGAGKTSJG-LAPQFRIASA-N 0 3 397.406 3.897 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)OCc1ccc(F)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882050 902486807 /nfs/dbraw/zinc/48/68/07/902486807.db2.gz NRWJJWWIJRRCLP-FHSNZYRGSA-N 0 3 379.359 3.820 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(F)cc2Br)n1 ZINC000577338414 902697271 /nfs/dbraw/zinc/69/72/71/902697271.db2.gz CTDWWURVGPTPOS-LSDHHAIUSA-N 0 3 397.248 3.966 20 5 GHBDHN C[C@@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000801571687 921142826 /nfs/dbraw/zinc/14/28/26/921142826.db2.gz ZNEBYUJZQOPWEL-OCCSQVGLSA-N 0 3 389.839 3.559 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cc(Br)ccn2)c1F ZINC001173179216 906257857 /nfs/dbraw/zinc/25/78/57/906257857.db2.gz OFDLSHZBZIQEGI-SNVBAGLBSA-N 0 3 398.232 3.621 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cccc(OC3CCC3)n2)c1F ZINC001173182727 906263201 /nfs/dbraw/zinc/26/32/01/906263201.db2.gz SZLCOJRQJBIJDQ-ZDUSSCGKSA-N 0 3 389.427 3.790 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cc(C(F)(F)F)ccn2)c1F ZINC001173187416 906268459 /nfs/dbraw/zinc/26/84/59/906268459.db2.gz CYGGXWQNZWGKIR-JTQLQIEISA-N 0 3 387.333 3.877 20 5 GHBDHN CCOC(=O)CCC1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173188973 906269397 /nfs/dbraw/zinc/26/93/97/906269397.db2.gz IQQQRCSMWAGIDO-AWEZNQCLSA-N 0 3 396.459 3.729 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001173223117 906304086 /nfs/dbraw/zinc/30/40/86/906304086.db2.gz YARIGJFMEXVNAU-HZPDHXFCSA-N 0 3 377.485 3.857 20 5 GHBDHN CCC[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000178287236 906322297 /nfs/dbraw/zinc/32/22/97/906322297.db2.gz WSQRSSUZQSDLBS-IBGZPJMESA-N 0 3 376.478 3.770 20 5 GHBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(CN(C)C)c1 ZINC000182945121 907297834 /nfs/dbraw/zinc/29/78/34/907297834.db2.gz CIZYYZCMBKFCSH-UHFFFAOYSA-N 0 3 379.363 3.819 20 5 GHBDHN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001175821623 907777743 /nfs/dbraw/zinc/77/77/43/907777743.db2.gz MCRONBNBBLSLLS-HNNXBMFYSA-N 0 3 389.402 3.740 20 5 GHBDHN Cc1cccc2nc(CCNCc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn21 ZINC001182742834 912019889 /nfs/dbraw/zinc/01/98/89/912019889.db2.gz KJTVRJHJLKNSEG-UHFFFAOYSA-N 0 3 378.354 3.902 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284812725 912039503 /nfs/dbraw/zinc/03/95/03/912039503.db2.gz PHSVQVJZKLKZIL-DLBZAZTESA-N 0 3 392.253 3.527 20 5 GHBDHN COc1cccc([C@@H]2CCCN2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000117334563 919537484 /nfs/dbraw/zinc/53/74/84/919537484.db2.gz JRHSADJDTBYNKC-SFHVURJKSA-N 0 3 397.431 3.739 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000800396356 920024714 /nfs/dbraw/zinc/02/47/14/920024714.db2.gz WXALJQAKLZOYGH-HZPDHXFCSA-N 0 3 393.237 3.504 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000409664586 924859941 /nfs/dbraw/zinc/85/99/41/924859941.db2.gz GIRHSNORPXOTOH-UHFFFAOYSA-N 0 3 395.459 3.978 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000726601063 926755972 /nfs/dbraw/zinc/75/59/72/926755972.db2.gz PQJKUDHOKOSOFT-YJBOKZPZSA-N 0 3 377.485 3.905 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000749675428 927230433 /nfs/dbraw/zinc/23/04/33/927230433.db2.gz ZCHUFKOKCBFUHD-PKOBYXMFSA-N 0 3 376.840 3.825 20 5 GHBDHN Cc1nn(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749951526 927366997 /nfs/dbraw/zinc/36/69/97/927366997.db2.gz YOUKHSPUWMNNQS-FXAWDEMLSA-N 0 3 395.463 3.705 20 5 GHBDHN Cc1nn(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749951530 927368005 /nfs/dbraw/zinc/36/80/05/927368005.db2.gz YOUKHSPUWMNNQS-XLIONFOSSA-N 0 3 395.463 3.705 20 5 GHBDHN CN(C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000750291283 927538141 /nfs/dbraw/zinc/53/81/41/927538141.db2.gz VWWXEOMQWUDTED-INIZCTEOSA-N 0 3 393.484 3.553 20 5 GHBDHN Cc1ccccc1[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000544124006 928834945 /nfs/dbraw/zinc/83/49/45/928834945.db2.gz RKIVZECMDCQUAX-IBGZPJMESA-N 0 3 376.478 3.664 20 5 GHBDHN CC(C)(C)N1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000544226321 928954025 /nfs/dbraw/zinc/95/40/25/928954025.db2.gz XIJBMZPYJFQHFG-UHFFFAOYSA-N 0 3 385.917 3.673 20 5 GHBDHN COc1cc(OC)cc(N2CCCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000544608187 929339168 /nfs/dbraw/zinc/33/91/68/929339168.db2.gz MCSSAKYGDMFOEB-UHFFFAOYSA-N 0 3 385.464 3.633 20 5 GHBDHN CC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757111461 929649814 /nfs/dbraw/zinc/64/98/14/929649814.db2.gz QQSKKNRYSQFXKG-YJBOKZPZSA-N 0 3 393.484 3.599 20 5 GHBDHN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)N2CCCC2)cc1 ZINC000546035893 929791367 /nfs/dbraw/zinc/79/13/67/929791367.db2.gz DTBRIKRSWKGGLS-HXUWFJFHSA-N 0 3 398.463 3.870 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000469477330 929926855 /nfs/dbraw/zinc/92/68/55/929926855.db2.gz DEGNJTCHSRIWOP-NRFANRHFSA-N 0 3 383.492 3.800 20 5 GHBDHN Cc1nn(CN(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000758265357 929994857 /nfs/dbraw/zinc/99/48/57/929994857.db2.gz WRNCOQFJNPZBEV-VQIMIIECSA-N 0 3 399.426 3.597 20 5 GHBDHN CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000758268952 929996718 /nfs/dbraw/zinc/99/67/18/929996718.db2.gz VAOIUOJAUGVYCG-PXNSSMCTSA-N 0 3 384.411 3.893 20 5 GHBDHN COc1cc(CNCCC2(O)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000560076163 933051433 /nfs/dbraw/zinc/05/14/33/933051433.db2.gz LLIHCCHCFPUXBH-UHFFFAOYSA-N 0 3 386.448 3.577 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000777806471 933544324 /nfs/dbraw/zinc/54/43/24/933544324.db2.gz AKSLAUGXBHODKR-MJGOQNOKSA-N 0 3 399.495 3.674 20 5 GHBDHN C[S@@](=O)C1(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCC1 ZINC001116889212 933812490 /nfs/dbraw/zinc/81/24/90/933812490.db2.gz HOHYEUONUXKSDA-RUZDIDTESA-N 0 3 382.869 3.899 20 5 GHBDHN C[S@](=O)C1(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCC1 ZINC001116889213 933813813 /nfs/dbraw/zinc/81/38/13/933813813.db2.gz HOHYEUONUXKSDA-VWLOTQADSA-N 0 3 382.869 3.899 20 5 GHBDHN CCN(C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001123371900 935172388 /nfs/dbraw/zinc/17/23/88/935172388.db2.gz FRDORPWUIDWEBR-KRWDZBQOSA-N 0 3 398.463 3.732 20 5 GHBDHN CN(C)C[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001626116426 1014976856 /nfs/dbraw/zinc/97/68/56/1014976856.db2.gz RCMOVXTXSFHPLN-KRWDZBQOSA-N 0 3 393.846 3.739 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000547277442 1016878917 /nfs/dbraw/zinc/87/89/17/1016878917.db2.gz JMOSDJGVVYIHSF-RDJZCZTQSA-N 0 3 399.466 3.791 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000558064750 1017105712 /nfs/dbraw/zinc/10/57/12/1017105712.db2.gz JWVRTNFCNRCPHF-SJORKVTESA-N 0 3 384.480 3.784 20 5 GHBDHN C[C@H](CN(C)C)NC(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001155923965 1032795337 /nfs/dbraw/zinc/79/53/37/1032795337.db2.gz PSGNFECNBDTJGR-LLVKDONJSA-N 0 3 384.814 3.899 20 5 GHBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc4cc5ccccc5nc43)C[C@H]1N2C ZINC001228176985 1032825322 /nfs/dbraw/zinc/82/53/22/1032825322.db2.gz VLLNPENYBCZWCX-RUOSDFBUSA-N 0 3 376.456 3.934 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1Cl ZINC000836673264 1023237883 /nfs/dbraw/zinc/23/78/83/1023237883.db2.gz MYYFVTWEVYHYHA-CQSZACIVSA-N 0 3 375.856 3.807 20 5 GHBDHN C[C@@H](C(=O)OCC1CCN(Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000755747999 1023361095 /nfs/dbraw/zinc/36/10/95/1023361095.db2.gz ORMNMGNJUDAFEY-CQSZACIVSA-N 0 3 390.411 3.886 20 5 GHBDHN O=C1O[C@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1c1ccccc1 ZINC000831539198 1024627281 /nfs/dbraw/zinc/62/72/81/1024627281.db2.gz OPMRZILBLNIGBZ-YLJYHZDGSA-N 0 3 381.432 3.800 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001229055982 1033253065 /nfs/dbraw/zinc/25/30/65/1033253065.db2.gz IZYFAXLEKCPWTL-FOIQADDNSA-N 0 3 384.432 3.671 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001229055984 1033253933 /nfs/dbraw/zinc/25/39/33/1033253933.db2.gz IZYFAXLEKCPWTL-QRWLVFNGSA-N 0 3 384.432 3.671 20 5 GHBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001162120806 1025617451 /nfs/dbraw/zinc/61/74/51/1025617451.db2.gz UOIZZBCGBWAJRU-KRWDZBQOSA-N 0 3 380.423 3.781 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@@H]3CCN3Cc3ccccc3)c2c1 ZINC001163763617 1026307078 /nfs/dbraw/zinc/30/70/78/1026307078.db2.gz BYZBZIXDXHAPIB-AWEZNQCLSA-N 0 3 383.839 3.878 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001165202018 1026663431 /nfs/dbraw/zinc/66/34/31/1026663431.db2.gz QNVGAGKOFSVOQU-JKSUJKDBSA-N 0 3 377.448 3.637 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001150120173 1030405713 /nfs/dbraw/zinc/40/57/13/1030405713.db2.gz UEGMJMDYZCAOMS-RHSMWYFYSA-N 0 3 391.537 3.946 20 5 GHBDHN COC(=O)[C@H](O[C@H]1CN(Cc2ccccc2)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223640613 1030677693 /nfs/dbraw/zinc/67/76/93/1030677693.db2.gz WSURYUMNFSSMTM-TYCQWZJGSA-N 0 3 398.459 3.736 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001225894528 1031680155 /nfs/dbraw/zinc/68/01/55/1031680155.db2.gz MMTSBNOPXSJPER-LRDDRELGSA-N 0 3 381.354 3.908 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001229956259 1033816249 /nfs/dbraw/zinc/81/62/49/1033816249.db2.gz AYIYOKVMKXZHAO-QGZVFWFLSA-N 0 3 384.432 3.733 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC001160519844 1034993291 /nfs/dbraw/zinc/99/32/91/1034993291.db2.gz PFBUMYMAEIQHFQ-SFHVURJKSA-N 0 3 396.422 3.502 20 5 GHBDHN CCOc1nc(NCC2CCN(Cc3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC001161194194 1035175799 /nfs/dbraw/zinc/17/57/99/1035175799.db2.gz NHCIEUNPSIQUAR-UHFFFAOYSA-N 0 3 388.443 3.852 20 5 GHBDHN O=[N+]([O-])c1ccc2ccnc(NCC3CCN(Cc4ccccn4)CC3)c2c1 ZINC001161246688 1035191297 /nfs/dbraw/zinc/19/12/97/1035191297.db2.gz XVAGETJAFFWVLN-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001254560863 1040334089 /nfs/dbraw/zinc/33/40/89/1040334089.db2.gz ICSDLPMFVTVUDJ-QGZVFWFLSA-N 0 3 397.475 3.890 20 5 GHBDHN COc1cc(N2CCC(N3CCc4ccc(F)cc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100594 1041528695 /nfs/dbraw/zinc/52/86/95/1041528695.db2.gz KUXKTJYMWXUWDC-UHFFFAOYSA-N 0 3 385.439 3.770 20 5 GHBDHN C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC001296715293 1045360758 /nfs/dbraw/zinc/36/07/58/1045360758.db2.gz IFJQVZHIPCTJHT-APPDUMDISA-N 0 3 379.819 3.809 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC001306840029 1048923041 /nfs/dbraw/zinc/92/30/41/1048923041.db2.gz MYAGGOPRUSBGQO-CZUORRHYSA-N 0 3 377.416 3.505 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC001307755190 1049569840 /nfs/dbraw/zinc/56/98/40/1049569840.db2.gz YKYBDOGEGKPOJF-JCURWCKSSA-N 0 3 395.887 3.903 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CCN1CCc2ccccc21)[C@H]1CC[C@H](O)CC1 ZINC001307874892 1049657923 /nfs/dbraw/zinc/65/79/23/1049657923.db2.gz IOSJMFYUCAMECN-MEMLXQNLSA-N 0 3 395.503 3.763 20 5 GHBDHN COc1ccc(NC(=O)CN[C@H]2CCc3cccc4cccc2c43)c([N+](=O)[O-])c1 ZINC001308092411 1049839174 /nfs/dbraw/zinc/83/91/74/1049839174.db2.gz IGQLXSFAIUYCSF-SFHVURJKSA-N 0 3 391.427 3.972 20 5 GHBDHN C[C@@H]1COC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001308531319 1050000332 /nfs/dbraw/zinc/00/03/32/1050000332.db2.gz SUSBJKKJWAEKDE-BMIGLBTASA-N 0 3 381.226 3.742 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001312024254 1052535471 /nfs/dbraw/zinc/53/54/71/1052535471.db2.gz KDOJXIKGZBAFKZ-FXAWDEMLSA-N 0 3 396.491 3.928 20 5 GHBDHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCN(CC2CCCCC2)CC1 ZINC001356252064 1057447674 /nfs/dbraw/zinc/44/76/74/1057447674.db2.gz ZFFVNIQHHDZVPH-UHFFFAOYSA-N 0 3 393.915 3.905 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N(C)C)cc1 ZINC001442472506 1058965775 /nfs/dbraw/zinc/96/57/75/1058965775.db2.gz JAYGUTJNGGRFDX-KRWDZBQOSA-N 0 3 395.381 3.955 20 5 GHBDHN CCC(=O)c1ccc(NCc2cccc(CN3CCN(C)CC3)c2)c([N+](=O)[O-])c1 ZINC001339682643 1059387023 /nfs/dbraw/zinc/38/70/23/1059387023.db2.gz QEUMUQURNKTYOC-UHFFFAOYSA-N 0 3 396.491 3.547 20 5 GHBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC001450788527 1060689474 /nfs/dbraw/zinc/68/94/74/1060689474.db2.gz OQQQZLYCQLGLSS-KRWDZBQOSA-N 0 3 375.494 3.888 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001468702009 1067836735 /nfs/dbraw/zinc/83/67/35/1067836735.db2.gz WJWRSTICGXTYQD-FQEVSTJZSA-N 0 3 399.491 3.835 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N2CCN(CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001469068085 1067968440 /nfs/dbraw/zinc/96/84/40/1067968440.db2.gz BUNFLGRVXWRNBG-QGZVFWFLSA-N 0 3 388.512 3.872 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC001460918136 1069272611 /nfs/dbraw/zinc/27/26/11/1069272611.db2.gz LWCSQUXMAFTKLT-HNNXBMFYSA-N 0 3 385.468 3.579 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC001472667236 1073605606 /nfs/dbraw/zinc/60/56/06/1073605606.db2.gz QTYLHYMXIFFMBP-XQQFMLRXSA-N 0 3 383.876 3.813 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC001472667235 1073605730 /nfs/dbraw/zinc/60/57/30/1073605730.db2.gz QTYLHYMXIFFMBP-RWMBFGLXSA-N 0 3 383.876 3.813 20 5 GHBDHN CN(C[C@H]1CCCCN1Cc1ccccc1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001472860245 1073698859 /nfs/dbraw/zinc/69/88/59/1073698859.db2.gz NSHYTVKUHCLHMN-QGZVFWFLSA-N 0 3 384.436 3.994 20 5 GHBDHN CCOc1cc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001473581804 1074030228 /nfs/dbraw/zinc/03/02/28/1074030228.db2.gz FFZBMXWMYYDSPR-PZJWPPBQSA-N 0 3 384.476 3.952 20 5 GHBDHN Cc1ccc(C[C@@H](CO)NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1C ZINC001474169355 1074282380 /nfs/dbraw/zinc/28/23/80/1074282380.db2.gz DFEZQLDTKPXJNB-INIZCTEOSA-N 0 3 380.391 3.506 20 5 GHBDHN C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584651 609342213 /nfs/dbraw/zinc/34/22/13/609342213.db2.gz DDEYLEUPUWQRMW-ZDUSSCGKSA-N 0 3 384.415 3.588 20 5 GHBDHN C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584651 609342215 /nfs/dbraw/zinc/34/22/15/609342215.db2.gz DDEYLEUPUWQRMW-ZDUSSCGKSA-N 0 3 384.415 3.588 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000409708853 835064654 /nfs/dbraw/zinc/06/46/54/835064654.db2.gz LQXNUPPZCOCPJP-UHFFFAOYSA-N 0 3 389.883 3.885 20 5 GHBDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583855943 835159415 /nfs/dbraw/zinc/15/94/15/835159415.db2.gz XYOKHFQLBNFMTJ-MSOLQXFVSA-N 0 3 381.476 3.679 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H](O)c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000102420762 835371198 /nfs/dbraw/zinc/37/11/98/835371198.db2.gz XMUBIQYSTZZWKZ-LJQANCHMSA-N 0 3 386.379 3.826 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000024240098 835476273 /nfs/dbraw/zinc/47/62/73/835476273.db2.gz KACPIIAANWIEDA-IBGZPJMESA-N 0 3 386.452 3.808 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(c4nnc5n4CCC5)CC3)o2)cc1 ZINC000375830357 836033371 /nfs/dbraw/zinc/03/33/71/836033371.db2.gz NTNRSEYOERZXNI-UHFFFAOYSA-N 0 3 393.447 3.772 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000411132018 836064245 /nfs/dbraw/zinc/06/42/45/836064245.db2.gz KJANBXCXZBZEEA-SFHVURJKSA-N 0 3 387.411 3.908 20 5 GHBDHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000610761794 844140135 /nfs/dbraw/zinc/14/01/35/844140135.db2.gz CLEFUIHIUSXXJU-MRXNPFEDSA-N 0 3 397.475 3.862 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411595246 836229522 /nfs/dbraw/zinc/22/95/22/836229522.db2.gz XUZRDNUYPDWQRZ-WUHBCXKYSA-N 0 3 379.460 3.650 20 5 GHBDHN CCCN(CCN1CCCCC1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411727767 836308629 /nfs/dbraw/zinc/30/86/29/836308629.db2.gz POQKZYIBZCINFD-MRXNPFEDSA-N 0 3 387.484 3.904 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000175666720 836923751 /nfs/dbraw/zinc/92/37/51/836923751.db2.gz ZSNGFPNQUFLGIF-UHFFFAOYSA-N 0 3 379.507 3.582 20 5 GHBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](c1ccccc1)N(C)C ZINC000187274374 837277872 /nfs/dbraw/zinc/27/78/72/837277872.db2.gz AZZWTEWYUXXMSO-SJKOYZFVSA-N 0 3 393.390 3.617 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000468618097 837876444 /nfs/dbraw/zinc/87/64/44/837876444.db2.gz JUBVKXYKQDRIFI-NRUITVPNSA-N 0 3 387.386 3.671 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000046253263 838001224 /nfs/dbraw/zinc/00/12/24/838001224.db2.gz MQQRNKPVDMVCKM-GOSISDBHSA-N 0 3 390.509 3.881 20 5 GHBDHN Cc1ccc([C@H](C)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000247250216 838150664 /nfs/dbraw/zinc/15/06/64/838150664.db2.gz ZPCGQRRHGNBSRJ-ROUUACIJSA-N 0 3 383.492 3.975 20 5 GHBDHN Cc1cccc2nc(C3CCN(C[C@@H](O)c4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000189815133 838414631 /nfs/dbraw/zinc/41/46/31/838414631.db2.gz YVUDGTWBBPLJAF-LJQANCHMSA-N 0 3 381.432 3.957 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000104076529 838617491 /nfs/dbraw/zinc/61/74/91/838617491.db2.gz RIHUZLDFHUYGNY-UHFFFAOYSA-N 0 3 387.411 3.740 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000122904435 838812116 /nfs/dbraw/zinc/81/21/16/838812116.db2.gz IKVAKQCYQCRTNX-UHFFFAOYSA-N 0 3 386.452 3.508 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610445689 839746562 /nfs/dbraw/zinc/74/65/62/839746562.db2.gz DQSPEGJHPXRZPC-GOSISDBHSA-N 0 3 395.503 3.995 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccco1 ZINC000580544857 839776330 /nfs/dbraw/zinc/77/63/30/839776330.db2.gz HOFPMQCYNDZTOA-GXTWGEPZSA-N 0 3 377.466 3.769 20 5 GHBDHN CC(C)Oc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000412198280 839959869 /nfs/dbraw/zinc/95/98/69/839959869.db2.gz WKSDXTRZQLGHLQ-LJQANCHMSA-N 0 3 397.475 3.729 20 5 GHBDHN COc1ccc([C@@H](CN2CCCC2)Nc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000302124399 861212697 /nfs/dbraw/zinc/21/26/97/861212697.db2.gz HSVOJQBKOFNZQL-MRXNPFEDSA-N 0 3 376.844 3.901 20 5 GHBDHN CCC(=O)N1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000134543952 841777650 /nfs/dbraw/zinc/77/76/50/841777650.db2.gz CHIFYMDVVXGWTO-MRXNPFEDSA-N 0 3 387.411 3.627 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCN1CCc2ccccc2C1 ZINC000477208587 841911673 /nfs/dbraw/zinc/91/16/73/841911673.db2.gz JZXJETJNTVXIRK-UHFFFAOYSA-N 0 3 387.867 3.735 20 5 GHBDHN Cc1cccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1[N+](=O)[O-] ZINC000109499539 841929141 /nfs/dbraw/zinc/92/91/41/841929141.db2.gz FISKXYVGCLNFAA-UHFFFAOYSA-N 0 3 385.489 3.747 20 5 GHBDHN CN(C)C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549618710 842002902 /nfs/dbraw/zinc/00/29/02/842002902.db2.gz VJPZTJJATBINCF-SFHVURJKSA-N 0 3 375.856 3.600 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093684935 842370590 /nfs/dbraw/zinc/37/05/90/842370590.db2.gz LYHIGJQHKUTSTA-HNNXBMFYSA-N 0 3 387.402 3.526 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000843685350 842638703 /nfs/dbraw/zinc/63/87/03/842638703.db2.gz NLGAMAWGQAUSGB-QGFLDLQWSA-N 0 3 397.475 3.816 20 5 GHBDHN NC(=O)c1ccc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000603889975 861334013 /nfs/dbraw/zinc/33/40/13/861334013.db2.gz ILAVPPASNLKGBY-INIZCTEOSA-N 0 3 378.432 3.555 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229028 861350481 /nfs/dbraw/zinc/35/04/81/861350481.db2.gz NPPGZXAVBCKJIB-YOEHRIQHSA-N 0 3 377.510 3.599 20 5 GHBDHN CN(c1ccccc1)c1ccc(CN2CCCC[C@@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000512196250 843037886 /nfs/dbraw/zinc/03/78/86/843037886.db2.gz OBYJMFSEICHDNN-GOSISDBHSA-N 0 3 382.464 3.593 20 5 GHBDHN CN(CCS[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)Cc1ccccc1 ZINC000433038798 845041197 /nfs/dbraw/zinc/04/11/97/845041197.db2.gz LLRXTUUJMNNJQO-LJQANCHMSA-N 0 3 385.489 3.565 20 5 GHBDHN Cc1c(Br)cc(C(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000119486917 845396758 /nfs/dbraw/zinc/39/67/58/845396758.db2.gz ADKSCDKNNLJVRO-UHFFFAOYSA-N 0 3 398.301 3.612 20 5 GHBDHN CC1(C)C[C@@H](NCc2cccc(CN3CCOCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433138496 845479380 /nfs/dbraw/zinc/47/93/80/845479380.db2.gz YFNXKRVBHRVLNN-JOCHJYFZSA-N 0 3 395.503 3.939 20 5 GHBDHN COc1ccc(OC2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000604013526 861576416 /nfs/dbraw/zinc/57/64/16/861576416.db2.gz NAISKRFUOUAFKO-UHFFFAOYSA-N 0 3 386.448 3.916 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@@H]3CCCC(=O)N3)cc2[N+](=O)[O-])cc1 ZINC000433172031 845580319 /nfs/dbraw/zinc/58/03/19/845580319.db2.gz CYXBLZNGGGTVEU-INIZCTEOSA-N 0 3 385.489 3.813 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccc(OC)c1 ZINC000481554081 861667791 /nfs/dbraw/zinc/66/77/91/861667791.db2.gz GFAYJGQPJBJJGX-QGZVFWFLSA-N 0 3 391.493 3.786 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000119879891 846437628 /nfs/dbraw/zinc/43/76/28/846437628.db2.gz JRIDBQSLCVQVFL-SFHVURJKSA-N 0 3 386.477 3.951 20 5 GHBDHN CC[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000604075470 861712662 /nfs/dbraw/zinc/71/26/62/861712662.db2.gz UKPNONLKROJMIA-OXJNMPFZSA-N 0 3 396.491 3.792 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)s1 ZINC000375689456 846935398 /nfs/dbraw/zinc/93/53/98/846935398.db2.gz DUJUZHBGKYMPBV-LJQANCHMSA-N 0 3 398.488 3.992 20 5 GHBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000183740118 847001760 /nfs/dbraw/zinc/00/17/60/847001760.db2.gz HYHKMJIVRJTCBQ-UHFFFAOYSA-N 0 3 387.823 3.986 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccco1 ZINC000599834305 861762865 /nfs/dbraw/zinc/76/28/65/861762865.db2.gz FMTLGYCVFHMCJI-GUYCJALGSA-N 0 3 397.435 3.987 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000509968360 847736039 /nfs/dbraw/zinc/73/60/39/847736039.db2.gz FNBUURAHVISAIX-UHFFFAOYSA-N 0 3 394.475 3.713 20 5 GHBDHN CN(C)CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000050629541 847943063 /nfs/dbraw/zinc/94/30/63/847943063.db2.gz MLZYUIVUPJDFHR-UHFFFAOYSA-N 0 3 396.472 3.927 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1CNc1ccccc1CN1CCC(O)CC1 ZINC000892280932 848050981 /nfs/dbraw/zinc/05/09/81/848050981.db2.gz KXKGFFDGSHQUHK-UHFFFAOYSA-N 0 3 375.856 3.817 20 5 GHBDHN COc1cc(CN(C)C[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128113118 848128503 /nfs/dbraw/zinc/12/85/03/848128503.db2.gz VQNDIIOXFNAPHQ-LJQANCHMSA-N 0 3 386.448 3.793 20 5 GHBDHN CN1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[C@H]1c1ccccc1 ZINC000248029490 849196110 /nfs/dbraw/zinc/19/61/10/849196110.db2.gz KAAAWHRCQNZZDY-NHCUHLMSSA-N 0 3 394.475 3.714 20 5 GHBDHN C[C@H](C1CC1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000029724835 862049481 /nfs/dbraw/zinc/04/94/81/862049481.db2.gz WFHKAEKQEHFVRL-SNVBAGLBSA-N 0 3 382.258 3.559 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](O)C3)o2)c(Br)c1 ZINC000158771679 849726514 /nfs/dbraw/zinc/72/65/14/849726514.db2.gz MEUSQZDZBMBKTN-GFCCVEGCSA-N 0 3 381.226 3.574 20 5 GHBDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435046986 850018977 /nfs/dbraw/zinc/01/89/77/850018977.db2.gz ZRIGKWMVSAUOHJ-AWEZNQCLSA-N 0 3 393.871 3.661 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000503160465 862093639 /nfs/dbraw/zinc/09/36/39/862093639.db2.gz OKOOHGFOUNGSIY-IBGZPJMESA-N 0 3 393.447 3.986 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000503160465 862093649 /nfs/dbraw/zinc/09/36/49/862093649.db2.gz OKOOHGFOUNGSIY-IBGZPJMESA-N 0 3 393.447 3.986 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000503160465 862093657 /nfs/dbraw/zinc/09/36/57/862093657.db2.gz OKOOHGFOUNGSIY-IBGZPJMESA-N 0 3 393.447 3.986 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000487557825 850706902 /nfs/dbraw/zinc/70/69/02/850706902.db2.gz NCKKRFZXACXHBC-UHFFFAOYSA-N 0 3 387.505 3.586 20 5 GHBDHN C[S@](=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000435749963 850814859 /nfs/dbraw/zinc/81/48/59/850814859.db2.gz MCSBITTZOHJZIL-VWLOTQADSA-N 0 3 382.869 3.899 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425059054 850899121 /nfs/dbraw/zinc/89/91/21/850899121.db2.gz QIGSZSZJPDNIOB-WMLDXEAASA-N 0 3 377.510 3.509 20 5 GHBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000425437467 851074734 /nfs/dbraw/zinc/07/47/34/851074734.db2.gz YLJRQVXSCITOSN-HUUCEWRRSA-N 0 3 379.258 3.827 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H](CO)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000438354175 852317190 /nfs/dbraw/zinc/31/71/90/852317190.db2.gz KQPXFKQSZQUMHH-INIZCTEOSA-N 0 3 382.416 3.557 20 5 GHBDHN NC(=O)c1ccc(CN2CCC[C@@]3(CCCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000438553264 852567858 /nfs/dbraw/zinc/56/78/58/852567858.db2.gz KZCUHHJDSJCNTI-QFIPXVFZSA-N 0 3 379.460 3.564 20 5 GHBDHN CSc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000029178001 852583739 /nfs/dbraw/zinc/58/37/39/852583739.db2.gz VXZDOAHYWBMRLP-QGZVFWFLSA-N 0 3 385.489 3.884 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3NCCc4ccccc43)cs2)c1 ZINC000414950714 852833836 /nfs/dbraw/zinc/83/38/36/852833836.db2.gz FVOBXCIMIRGANV-IBGZPJMESA-N 0 3 380.473 3.695 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000509566883 852972772 /nfs/dbraw/zinc/97/27/72/852972772.db2.gz HBFXOHOUEVYGPY-NVXWUHKLSA-N 0 3 388.468 3.501 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000507628693 853124523 /nfs/dbraw/zinc/12/45/23/853124523.db2.gz GFSXAKMWJLEIHE-RDJZCZTQSA-N 0 3 385.489 3.639 20 5 GHBDHN C[C@@H](CO[C@H]1CCOC1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000151212072 853172017 /nfs/dbraw/zinc/17/20/17/853172017.db2.gz VGHZYBBBUOYWIW-KSSFIOAISA-N 0 3 390.411 3.810 20 5 GHBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517009349 853250566 /nfs/dbraw/zinc/25/05/66/853250566.db2.gz OTJMVMWWYBQNOO-HOTGVXAUSA-N 0 3 377.488 3.532 20 5 GHBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437698822 853433706 /nfs/dbraw/zinc/43/37/06/853433706.db2.gz PEARGNLPJZYXRI-IBGZPJMESA-N 0 3 394.475 3.543 20 5 GHBDHN COC(=O)c1cc(C)nc(N[C@@H](CN2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000587983942 854058054 /nfs/dbraw/zinc/05/80/54/854058054.db2.gz UZQPULLDVRNYGY-SFHVURJKSA-N 0 3 398.463 3.724 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCCN1C ZINC000441301595 854069047 /nfs/dbraw/zinc/06/90/47/854069047.db2.gz HQIHWLSXYQYASA-HOCLYGCPSA-N 0 3 385.489 3.959 20 5 GHBDHN C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458883514 854411798 /nfs/dbraw/zinc/41/17/98/854411798.db2.gz BRKSNQZLHSHEDR-JXFKEZNVSA-N 0 3 382.464 3.572 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591066138 855763178 /nfs/dbraw/zinc/76/31/78/855763178.db2.gz JNJJCUCDVKXDFV-VOQZNFBZSA-N 0 3 393.487 3.821 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733107322 862723848 /nfs/dbraw/zinc/72/38/48/862723848.db2.gz LBPKIGJJVFHVMW-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001272892964 855991840 /nfs/dbraw/zinc/99/18/40/855991840.db2.gz UPNYGSFZGWEAOC-IRXDYDNUSA-N 0 3 399.466 3.818 20 5 GHBDHN Cn1cc(CNCc2cccc(OC(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105477708 856770078 /nfs/dbraw/zinc/77/00/78/856770078.db2.gz VJIPUSJVBMFDBS-UHFFFAOYSA-N 0 3 388.374 3.887 20 5 GHBDHN COc1cc(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000592693967 857026899 /nfs/dbraw/zinc/02/68/99/857026899.db2.gz FPELEXVBKGHGCD-LJQANCHMSA-N 0 3 397.475 3.729 20 5 GHBDHN COc1cc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000592523422 857670576 /nfs/dbraw/zinc/67/05/76/857670576.db2.gz KULSIGUBOOXNBU-BETUJISGSA-N 0 3 388.411 3.683 20 5 GHBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000486474324 857768777 /nfs/dbraw/zinc/76/87/77/857768777.db2.gz VOVYRVUWWCPMRV-MRXNPFEDSA-N 0 3 396.491 3.609 20 5 GHBDHN CC[C@@H](C)N1CCN(Cc2cc(OC)c(OC[C@@H](C)CC)cc2[N+](=O)[O-])CC1 ZINC001170316050 881345654 /nfs/dbraw/zinc/34/56/54/881345654.db2.gz UZKARXHTLKGPFQ-DLBZAZTESA-N 0 3 393.528 3.944 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000521570934 858124980 /nfs/dbraw/zinc/12/49/80/858124980.db2.gz LBFHBTHKTOTEJP-UHFFFAOYSA-N 0 3 385.395 3.684 20 5 GHBDHN COCCOc1ccc([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000594495455 858192510 /nfs/dbraw/zinc/19/25/10/858192510.db2.gz YEJKHMVDOPPSST-RDTXWAMCSA-N 0 3 386.448 3.967 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301859114 858326244 /nfs/dbraw/zinc/32/62/44/858326244.db2.gz CXKGJIQNAYHAAM-CVEARBPZSA-N 0 3 395.381 3.661 20 5 GHBDHN CC(C)(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@@]1(O)CCCOC1 ZINC000595107305 858407254 /nfs/dbraw/zinc/40/72/54/858407254.db2.gz XCINIJFZEVYXMP-RBBKRZOGSA-N 0 3 384.476 3.842 20 5 GHBDHN C[C@@]1(Cc2ccccc2Cl)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595637481 858626095 /nfs/dbraw/zinc/62/60/95/858626095.db2.gz XXGSVAISLYBODH-IBGZPJMESA-N 0 3 375.856 3.507 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000184909218 858630622 /nfs/dbraw/zinc/63/06/22/858630622.db2.gz IAVHLXZSFMBIAK-JRGCBEDISA-N 0 3 381.476 3.725 20 5 GHBDHN Cc1nc2ccccc2n1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000482872703 858931595 /nfs/dbraw/zinc/93/15/95/858931595.db2.gz CFQRDZLYEDYQOG-UHFFFAOYSA-N 0 3 380.448 3.969 20 5 GHBDHN O=[N+]([O-])c1c(NC[C@@H]2CCCN(Cc3cccs3)C2)nc2sccn21 ZINC000142823839 858975633 /nfs/dbraw/zinc/97/56/33/858975633.db2.gz MPFBDXVHCQAUQK-LBPRGKRZSA-N 0 3 377.495 3.690 20 5 GHBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000543645355 859193228 /nfs/dbraw/zinc/19/32/28/859193228.db2.gz WWIPFWREPMHHBW-KRWDZBQOSA-N 0 3 386.427 3.862 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000160844368 859270106 /nfs/dbraw/zinc/27/01/06/859270106.db2.gz ADKDOGIGNATFCD-CVEARBPZSA-N 0 3 393.447 3.767 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000069178702 859380498 /nfs/dbraw/zinc/38/04/98/859380498.db2.gz XBGRCWIKHKRTSI-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)o1 ZINC000611254005 859664629 /nfs/dbraw/zinc/66/46/29/859664629.db2.gz DJCGBBOKZMSVKH-QGZVFWFLSA-N 0 3 385.464 3.542 20 5 GHBDHN COc1ccc(C[C@@H](C)CN(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000552079077 859719807 /nfs/dbraw/zinc/71/98/07/859719807.db2.gz PAJMNZLEVULRRL-OAHLLOKOSA-N 0 3 388.464 3.931 20 5 GHBDHN O=C(c1ccco1)N1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602509937 860082050 /nfs/dbraw/zinc/08/20/50/860082050.db2.gz ICJHWJVKNOAAAI-UHFFFAOYSA-N 0 3 397.353 3.601 20 5 GHBDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000484647742 860219733 /nfs/dbraw/zinc/21/97/33/860219733.db2.gz QDJYWDRBFOYXTK-AZUAARDMSA-N 0 3 383.448 3.822 20 5 GHBDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484752340 860322898 /nfs/dbraw/zinc/32/28/98/860322898.db2.gz NCKUXXQIQJAQSG-IBGZPJMESA-N 0 3 392.477 3.506 20 5 GHBDHN CC[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000155175516 860426089 /nfs/dbraw/zinc/42/60/89/860426089.db2.gz ADHZVBJLEBELFV-QFIPXVFZSA-N 0 3 399.491 3.547 20 5 GHBDHN COc1cc(CNCCc2nccs2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000171129282 863069132 /nfs/dbraw/zinc/06/91/32/863069132.db2.gz IAAZPFVBNBCZFM-UHFFFAOYSA-N 0 3 399.472 3.971 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C4CCOCC4)CC3)s2)cc1 ZINC000129733045 864858238 /nfs/dbraw/zinc/85/82/38/864858238.db2.gz USFJYQRPNZNDPT-UHFFFAOYSA-N 0 3 387.505 3.620 20 5 GHBDHN Cc1ccccc1[C@@H]1C[C@H](C)N(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000738055569 865488569 /nfs/dbraw/zinc/48/85/69/865488569.db2.gz KQKOJZJCHRGLQB-FUHWJXTLSA-N 0 3 377.448 3.997 20 5 GHBDHN CC(C)N1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000609036620 865913517 /nfs/dbraw/zinc/91/35/17/865913517.db2.gz JKERMPLNFVQIMF-UHFFFAOYSA-N 0 3 382.464 3.895 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444409624 866081833 /nfs/dbraw/zinc/08/18/33/866081833.db2.gz XZKPBSVVQDGELU-UHFFFAOYSA-N 0 3 382.464 3.584 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444409624 866081850 /nfs/dbraw/zinc/08/18/50/866081850.db2.gz XZKPBSVVQDGELU-UHFFFAOYSA-N 0 3 382.464 3.584 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444409624 866081866 /nfs/dbraw/zinc/08/18/66/866081866.db2.gz XZKPBSVVQDGELU-UHFFFAOYSA-N 0 3 382.464 3.584 20 5 GHBDHN COC(=O)COc1ccc(CN(Cc2ccc(C)s2)C(C)C)cc1[N+](=O)[O-] ZINC000475567466 866329868 /nfs/dbraw/zinc/32/98/68/866329868.db2.gz RNBYUIRFUMPPRI-UHFFFAOYSA-N 0 3 392.477 3.927 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475700886 882081968 /nfs/dbraw/zinc/08/19/68/882081968.db2.gz XPCNFGFLAMMZHG-APWZRJJASA-N 0 3 398.459 3.772 20 5 GHBDHN CC(C)N1CCN([C@@H]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000553482589 867523700 /nfs/dbraw/zinc/52/37/00/867523700.db2.gz HWJOGHDNLIDYDQ-CQSZACIVSA-N 0 3 387.311 3.506 20 5 GHBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000183965836 868837496 /nfs/dbraw/zinc/83/74/96/868837496.db2.gz IAURAGGGBLBTCC-AWEZNQCLSA-N 0 3 391.418 3.567 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CN1C1CC1 ZINC000440922673 869264186 /nfs/dbraw/zinc/26/41/86/869264186.db2.gz CWACZUIPMIZALW-CABCVRRESA-N 0 3 381.432 3.742 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440934751 869318560 /nfs/dbraw/zinc/31/85/60/869318560.db2.gz UKNCWJDUFGGRJX-MAUKXSAKSA-N 0 3 394.475 3.562 20 5 GHBDHN CC[C@@]1(O)CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000428431207 869372483 /nfs/dbraw/zinc/37/24/83/869372483.db2.gz RVSCKBCSLKYZDL-OAQYLSRUSA-N 0 3 386.448 3.529 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462192346 871820595 /nfs/dbraw/zinc/82/05/95/871820595.db2.gz BLAOUEICJPJMHQ-TWOQFEAHSA-N 0 3 399.516 3.712 20 5 GHBDHN O=C1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000447583814 871883986 /nfs/dbraw/zinc/88/39/86/871883986.db2.gz COCXAJKNKMDFRM-GUGJDKNPSA-N 0 3 391.471 3.719 20 5 GHBDHN C[C@@H](C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000541583370 873871514 /nfs/dbraw/zinc/87/15/14/873871514.db2.gz RAIVSBYBAMWZDN-IAGOWNOFSA-N 0 3 399.466 3.960 20 5 GHBDHN Cc1sc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000129857465 874560364 /nfs/dbraw/zinc/56/03/64/874560364.db2.gz CHJGGBPBEBPIMC-LRDDRELGSA-N 0 3 379.507 3.839 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccnc(C(F)(F)F)c1 ZINC000449440151 874892520 /nfs/dbraw/zinc/89/25/20/874892520.db2.gz YLYPQUYINHAXFJ-LLVKDONJSA-N 0 3 382.342 3.516 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccnc(C(F)(F)F)c1 ZINC000449440152 874892777 /nfs/dbraw/zinc/89/27/77/874892777.db2.gz YLYPQUYINHAXFJ-NSHDSACASA-N 0 3 382.342 3.516 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000449547097 875027824 /nfs/dbraw/zinc/02/78/24/875027824.db2.gz GHHYHBCBFZCALJ-HNNXBMFYSA-N 0 3 384.386 3.841 20 5 GHBDHN Cc1ccc(CNC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001200902966 875411101 /nfs/dbraw/zinc/41/11/01/875411101.db2.gz YTQZQYOJNYVTSH-YOEHRIQHSA-N 0 3 393.484 3.753 20 5 GHBDHN COc1cccc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1Cl ZINC000851108050 877413842 /nfs/dbraw/zinc/41/38/42/877413842.db2.gz IKSCVCDKYLKWPS-VOJFVSQTSA-N 0 3 381.787 3.980 20 5 GHBDHN CN(C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000110069022 877791721 /nfs/dbraw/zinc/79/17/21/877791721.db2.gz PUXNHQNFYOBVSE-INIZCTEOSA-N 0 3 393.484 3.553 20 5 GHBDHN O=C([C@@H](Cc1ccccc1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000192790056 877954558 /nfs/dbraw/zinc/95/45/58/877954558.db2.gz YBLMHJKMLYDPIB-FCHUYYIVSA-N 0 3 393.487 3.796 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccccc1OC ZINC000537982211 878621037 /nfs/dbraw/zinc/62/10/37/878621037.db2.gz OINPNCDBYJYHBW-ZBFHGGJFSA-N 0 3 376.478 3.797 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(OCCCO)CC3)o2)c(Cl)c1 ZINC000093694036 912387400 /nfs/dbraw/zinc/38/74/00/912387400.db2.gz WGSLMVQIEUAWSN-UHFFFAOYSA-N 0 3 394.855 3.872 20 5 GHBDHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000452185226 879099071 /nfs/dbraw/zinc/09/90/71/879099071.db2.gz ZGMLIHZTUYSTTI-MAUKXSAKSA-N 0 3 385.439 3.823 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000531110014 879149458 /nfs/dbraw/zinc/14/94/58/879149458.db2.gz XDKRVDLWGNRDBN-UHFFFAOYSA-N 0 3 393.447 3.974 20 5 GHBDHN CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265966547 879611118 /nfs/dbraw/zinc/61/11/18/879611118.db2.gz VFVGCLOERKTCOT-KBAYOESNSA-N 0 3 386.452 3.670 20 5 GHBDHN COc1ccc([C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C2CC2)cc1 ZINC000193345016 885659238 /nfs/dbraw/zinc/65/92/38/885659238.db2.gz LECRBOMWWHRREY-ZUOKHONESA-N 0 3 399.447 3.680 20 5 GHBDHN COC(=O)N1CCC([C@H](C)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809979993 888039151 /nfs/dbraw/zinc/03/91/51/888039151.db2.gz FUSQIUNZIKMJBL-JTQLQIEISA-N 0 3 390.267 3.858 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000488074798 888724956 /nfs/dbraw/zinc/72/49/56/888724956.db2.gz ZRCUIEJOBCKFPX-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488134846 889164830 /nfs/dbraw/zinc/16/48/30/889164830.db2.gz OHDPYWXNHINKEN-VBKZILBWSA-N 0 3 397.500 3.959 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](CO)Cc1ccc(F)cc1 ZINC000811475189 889661150 /nfs/dbraw/zinc/66/11/50/889661150.db2.gz CLUIGYHPSJCZHF-GFCCVEGCSA-N 0 3 387.238 3.982 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000455179717 890478941 /nfs/dbraw/zinc/47/89/41/890478941.db2.gz HXNJSYOXUTYJSF-MRXNPFEDSA-N 0 3 382.464 3.889 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000237392525 891619243 /nfs/dbraw/zinc/61/92/43/891619243.db2.gz PYTAWFGZCQQUHS-INIZCTEOSA-N 0 3 382.464 3.702 20 5 GHBDHN COCc1ccccc1/C=C(\C)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000508677408 892179348 /nfs/dbraw/zinc/17/93/48/892179348.db2.gz HADCNGYTRYSQRU-SKTWIKFTSA-N 0 3 382.464 3.726 20 5 GHBDHN COC(=O)c1cc(C)nc(NC[C@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC001185105640 913665720 /nfs/dbraw/zinc/66/57/20/913665720.db2.gz CDJSZKWTMHEHBG-GOSISDBHSA-N 0 3 398.463 3.642 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000537298127 894725163 /nfs/dbraw/zinc/72/51/63/894725163.db2.gz CJWFAAKVMKYORT-LJQANCHMSA-N 0 3 397.475 3.625 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000567137873 896904847 /nfs/dbraw/zinc/90/48/47/896904847.db2.gz YNGDILSOIZGUGL-FOIQADDNSA-N 0 3 399.466 3.791 20 5 GHBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000567603142 897285764 /nfs/dbraw/zinc/28/57/64/897285764.db2.gz NFTONVANUXXWFG-BRWVUGGUSA-N 0 3 391.515 3.778 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000883265164 897422001 /nfs/dbraw/zinc/42/20/01/897422001.db2.gz UBTPPHJEMHYNER-GOEBONIOSA-N 0 3 380.510 3.943 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000568565611 897941140 /nfs/dbraw/zinc/94/11/40/897941140.db2.gz AGXOCSCCVMBHDC-HKUYNNGSSA-N 0 3 375.856 3.792 20 5 GHBDHN Cc1cccc(S(=O)(=O)CCCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000155825620 899113566 /nfs/dbraw/zinc/11/35/66/899113566.db2.gz YPHZEFLDQXPLJY-MRXNPFEDSA-N 0 3 376.478 3.726 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](c4nnc5n4CCC5)C3)o2)cc1 ZINC000119835400 899692041 /nfs/dbraw/zinc/69/20/41/899692041.db2.gz SYDXZYQGXKABMT-INIZCTEOSA-N 0 3 393.447 3.772 20 5 GHBDHN CC([C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874837 902477955 /nfs/dbraw/zinc/47/79/55/902477955.db2.gz IXOYRXGWNASTLV-SGTLLEGYSA-N 0 3 376.340 3.616 20 5 GHBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])oc2c1C(=O)CCC2 ZINC000845875409 902479355 /nfs/dbraw/zinc/47/93/55/902479355.db2.gz MFVICXWKVOHJGR-ADLMAVQZSA-N 0 3 375.352 3.809 20 5 GHBDHN COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876772 902481198 /nfs/dbraw/zinc/48/11/98/902481198.db2.gz OOPJMXYTPAKEGM-KQHSUYLTSA-N 0 3 389.379 3.650 20 5 GHBDHN CCOCc1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845881501 902485190 /nfs/dbraw/zinc/48/51/90/902485190.db2.gz LKYCPRMOCYCREP-IAQYHMDHSA-N 0 3 382.413 3.690 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000177324260 906103116 /nfs/dbraw/zinc/10/31/16/906103116.db2.gz YCKDKRGEKONNGA-UHFFFAOYSA-N 0 3 382.464 3.817 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cc(Cl)c([O-])c(OC)c2)c1F ZINC001173182694 906262453 /nfs/dbraw/zinc/26/24/53/906262453.db2.gz KHJBNDYTRKGJOB-JTQLQIEISA-N 0 3 398.818 3.831 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1F ZINC001173191977 906275512 /nfs/dbraw/zinc/27/55/12/906275512.db2.gz GVDZRHZMJPNJJO-ULQDDVLXSA-N 0 3 399.466 3.742 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1F ZINC001173193817 906278060 /nfs/dbraw/zinc/27/80/60/906278060.db2.gz QZCUYCGTHCLEAG-QILLFSRXSA-N 0 3 397.466 3.572 20 5 GHBDHN CC(C)N(C)Cc1cnc2n1CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC001173225351 906307805 /nfs/dbraw/zinc/30/78/05/906307805.db2.gz JJCWZJXUPXFFDW-SJORKVTESA-N 0 3 385.512 3.639 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1ccc(Br)cc1 ZINC001173210893 906327871 /nfs/dbraw/zinc/32/78/71/906327871.db2.gz PAVHBKAWZIDXQG-GFCCVEGCSA-N 0 3 377.238 3.761 20 5 GHBDHN COc1ccc(CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)CCCO)cc1 ZINC001175121822 907390956 /nfs/dbraw/zinc/39/09/56/907390956.db2.gz XMEHDIMMTXPIIY-OAHLLOKOSA-N 0 3 376.428 3.906 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001177459712 908577923 /nfs/dbraw/zinc/57/79/23/908577923.db2.gz XYSAJJGGHCKVAA-OAHLLOKOSA-N 0 3 398.381 3.760 20 5 GHBDHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001177588501 908653345 /nfs/dbraw/zinc/65/33/45/908653345.db2.gz ZGMLIHZTUYSTTI-QAPCUYQASA-N 0 3 385.439 3.823 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000195691205 909032577 /nfs/dbraw/zinc/03/25/77/909032577.db2.gz HESOWFOHGCFUDZ-FQEVSTJZSA-N 0 3 385.464 3.725 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(NC(=O)OC(C)(C)C)CCCC1 ZINC001179117091 909390036 /nfs/dbraw/zinc/39/00/36/909390036.db2.gz WPAXWZLLRSCLMQ-UHFFFAOYSA-N 0 3 393.484 3.921 20 5 GHBDHN COc1cc(CNCCCc2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000269339021 910225074 /nfs/dbraw/zinc/22/50/74/910225074.db2.gz FGNAKEHOPZUQEE-UHFFFAOYSA-N 0 3 399.369 3.662 20 5 GHBDHN Cn1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C2CCOCC2)n1 ZINC001181880162 911057702 /nfs/dbraw/zinc/05/77/02/911057702.db2.gz NWNQJDWZXVDJJI-GOSISDBHSA-N 0 3 384.480 3.602 20 5 GHBDHN CCN1CCN(c2ccc(N[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000774270848 911599967 /nfs/dbraw/zinc/59/99/67/911599967.db2.gz HLODRPSIEOLROB-VQTJNVASSA-N 0 3 398.511 3.529 20 5 GHBDHN CCN(CC)CCNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 ZINC001182505734 911814948 /nfs/dbraw/zinc/81/49/48/911814948.db2.gz DZEZKDWMUVBOLT-UHFFFAOYSA-N 0 3 380.488 3.564 20 5 GHBDHN Cc1cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC001186922921 914902846 /nfs/dbraw/zinc/90/28/46/914902846.db2.gz SGTODLVHNLITAZ-RTWAWAEBSA-N 0 3 385.439 3.522 20 5 GHBDHN CCOc1cc(N2CCCN(Cc3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC001187732050 915454908 /nfs/dbraw/zinc/45/49/08/915454908.db2.gz CFQCIFPOUQSHLT-UHFFFAOYSA-N 0 3 399.491 3.722 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(OC[C@@H]4CCOC4)CC3)o2)c1 ZINC000363842199 918907326 /nfs/dbraw/zinc/90/73/26/918907326.db2.gz BTORWKOVYXBNHI-MRXNPFEDSA-N 0 3 386.448 3.872 20 5 GHBDHN O=C(NC1CCN(C2CCC2)CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000297329425 919248627 /nfs/dbraw/zinc/24/86/27/919248627.db2.gz ZUDDOOOJFVOYIC-UHFFFAOYSA-N 0 3 375.472 3.840 20 5 GHBDHN CSCC[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000133283644 926171083 /nfs/dbraw/zinc/17/10/83/926171083.db2.gz VWMZVBXHGYAJFI-HNNXBMFYSA-N 0 3 380.441 3.730 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000467443896 929078483 /nfs/dbraw/zinc/07/84/83/929078483.db2.gz UCIKHOQFXHGBLO-TXPKVOOTSA-N 0 3 397.475 3.834 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000546570974 930271138 /nfs/dbraw/zinc/27/11/38/930271138.db2.gz DZSPDGPREYJCRY-LJQANCHMSA-N 0 3 387.455 3.739 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000470174089 930430397 /nfs/dbraw/zinc/43/03/97/930430397.db2.gz QBPKGORXQXEPML-XSVZSIDJSA-N 0 3 377.448 3.920 20 5 GHBDHN CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470675431 930814293 /nfs/dbraw/zinc/81/42/93/930814293.db2.gz ZKABCHYTSSEURG-LJQANCHMSA-N 0 3 396.491 3.520 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000557363941 931378365 /nfs/dbraw/zinc/37/83/65/931378365.db2.gz PQRWIJNZCSMEJG-IBGZPJMESA-N 0 3 399.466 3.647 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N(C)C)cc1 ZINC000559283592 932577492 /nfs/dbraw/zinc/57/74/92/932577492.db2.gz PQWSWFVJPVDCFX-QGZVFWFLSA-N 0 3 395.381 3.955 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000559551098 932729591 /nfs/dbraw/zinc/72/95/91/932729591.db2.gz DDSNDNANEFBCFO-UHFFFAOYSA-N 0 3 398.301 3.612 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@](C)(CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000798949101 932833372 /nfs/dbraw/zinc/83/33/72/932833372.db2.gz JRYIYTPGHJONAG-GOSISDBHSA-N 0 3 383.876 3.985 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])c1 ZINC001137562686 935588599 /nfs/dbraw/zinc/58/85/99/935588599.db2.gz IJKSQJHHYRQMFX-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN C[C@H](NC[C@@H](O)c1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000830167345 935908707 /nfs/dbraw/zinc/90/87/07/935908707.db2.gz LBZPFDCORFFISR-MGPLVRAMSA-N 0 3 383.217 3.881 20 5 GHBDHN COc1c(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC001625779625 1014152372 /nfs/dbraw/zinc/15/23/72/1014152372.db2.gz YVWJFHDSNXDNBY-FQEVSTJZSA-N 0 3 399.491 3.835 20 5 GHBDHN CCN1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001625950868 1014522478 /nfs/dbraw/zinc/52/24/78/1014522478.db2.gz LRSMGORTSQECDW-QGZVFWFLSA-N 0 3 396.491 3.763 20 5 GHBDHN COC(=O)c1cccc(O[C@H]2CN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001227894192 1032673791 /nfs/dbraw/zinc/67/37/91/1032673791.db2.gz KTCZEWASCLZOKG-BEFAXECRSA-N 0 3 384.432 3.671 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000932693598 1018587291 /nfs/dbraw/zinc/58/72/91/1018587291.db2.gz OWMAVNVGSRLFLX-UHFFFAOYSA-N 0 3 389.477 3.646 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000754031429 1022432795 /nfs/dbraw/zinc/43/27/95/1022432795.db2.gz URRKJLNELISZEH-WUKNDPDISA-N 0 3 394.475 3.779 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000836227260 1022748145 /nfs/dbraw/zinc/74/81/45/1022748145.db2.gz NCCJWQNKQIFKIO-INIZCTEOSA-N 0 3 397.479 3.619 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000754889366 1022951509 /nfs/dbraw/zinc/95/15/09/1022951509.db2.gz LPSIFIUZEORVSZ-SBCUQWKCSA-N 0 3 379.460 3.951 20 5 GHBDHN COc1ccc([C@@H](C)NC2CC(n3cc([N+](=O)[O-])cn3)C2)c(Br)c1 ZINC001204968683 1033187020 /nfs/dbraw/zinc/18/70/20/1033187020.db2.gz GMSAVPTUUIBTBX-VOMCLLRMSA-N 0 3 395.257 3.617 20 5 GHBDHN O=C1O[C@@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1c1ccccc1 ZINC000831539197 1024626962 /nfs/dbraw/zinc/62/69/62/1024626962.db2.gz OPMRZILBLNIGBZ-XLIONFOSSA-N 0 3 381.432 3.800 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@@H]2CCN(CC(F)F)C2)o1 ZINC001202859678 1025259653 /nfs/dbraw/zinc/25/96/53/1025259653.db2.gz JHXKOJREACMUKS-GFCCVEGCSA-N 0 3 385.798 3.937 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)N1CCC[C@H](C)C1 ZINC001162355747 1025724357 /nfs/dbraw/zinc/72/43/57/1025724357.db2.gz JEBXBPNAEMGDOL-LBPRGKRZSA-N 0 3 383.876 3.957 20 5 GHBDHN CC[C@@H](C)N[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001163273301 1026117940 /nfs/dbraw/zinc/11/79/40/1026117940.db2.gz NPENTKUAOXFEDM-UKRRQHHQSA-N 0 3 384.436 3.581 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001163968711 1026374491 /nfs/dbraw/zinc/37/44/91/1026374491.db2.gz SXTLMGGJVFMKSB-QGZVFWFLSA-N 0 3 383.448 3.685 20 5 GHBDHN C[C@@H]1CN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)[C@H](C)CN1Cc1ccccc1 ZINC001165202898 1026665198 /nfs/dbraw/zinc/66/51/98/1026665198.db2.gz QDWNOSZEYJCJBD-QAZIKRLUSA-N 0 3 395.507 3.621 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)N2CCCC2)cc1 ZINC001142709045 1029307226 /nfs/dbraw/zinc/30/72/26/1029307226.db2.gz OXWMYWHDQBLVQY-OAQYLSRUSA-N 0 3 397.475 3.544 20 5 GHBDHN O=[N+]([O-])c1cccc(Br)c1CNC[C@@H]1CCN1C1CCCCC1 ZINC001461646633 1069656616 /nfs/dbraw/zinc/65/66/16/1069656616.db2.gz UDYVYTFWPOUIOD-AWEZNQCLSA-N 0 3 382.302 3.854 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001223403866 1030559029 /nfs/dbraw/zinc/55/90/29/1030559029.db2.gz YHMVMGUNJARLJZ-QFBILLFUSA-N 0 3 382.464 3.620 20 5 GHBDHN CCOC(=O)c1ccc(CO[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223962036 1030830300 /nfs/dbraw/zinc/83/03/00/1030830300.db2.gz DMKUMDGTMORGIM-HXUWFJFHSA-N 0 3 398.459 3.953 20 5 GHBDHN CC(C)(C)CCN1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001223991147 1030841991 /nfs/dbraw/zinc/84/19/91/1030841991.db2.gz CZIXXAZBMVECRL-UHFFFAOYSA-N 0 3 382.892 3.512 20 5 GHBDHN COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@H]1CNCc2ccccc21 ZINC001218493312 1030960615 /nfs/dbraw/zinc/96/06/15/1030960615.db2.gz LSWPMMRRFYFEON-IBGZPJMESA-N 0 3 397.434 3.671 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC001157766991 1033760868 /nfs/dbraw/zinc/76/08/68/1033760868.db2.gz RHZXEOMWKVCMSJ-SFHVURJKSA-N 0 3 378.407 3.947 20 5 GHBDHN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccc(O)cc3)CC2)c2ccccc21 ZINC001161130735 1035152176 /nfs/dbraw/zinc/15/21/76/1035152176.db2.gz AMKKCNCDEPPBBE-UHFFFAOYSA-N 0 3 378.432 3.925 20 5 GHBDHN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccccc3)C2)c2ncccc12 ZINC001233903004 1039693821 /nfs/dbraw/zinc/69/38/21/1039693821.db2.gz ZKOUJFVESLBMAS-OAHLLOKOSA-N 0 3 394.387 3.705 20 5 GHBDHN COC(=O)c1ccc(O[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001234048240 1039783971 /nfs/dbraw/zinc/78/39/71/1039783971.db2.gz HHHVBJQNKYBSFK-YWZLYKJASA-N 0 3 384.432 3.671 20 5 GHBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](c2ccccc2)C1 ZINC001254475149 1040262601 /nfs/dbraw/zinc/26/26/01/1040262601.db2.gz AWVCTYYAHBTBLL-QFIPXVFZSA-N 0 3 380.492 3.552 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN([C@@H]3CCCc4ccccc43)CC1)C2 ZINC001254608333 1040380107 /nfs/dbraw/zinc/38/01/07/1040380107.db2.gz QSGZHBKZLSDITF-JTHBVZDNSA-N 0 3 377.488 3.757 20 5 GHBDHN O=C1Nc2ccccc2CN1[C@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610288 1040382459 /nfs/dbraw/zinc/38/24/59/1040382459.db2.gz JGQFJXIKZRYWSH-PMACEKPBSA-N 0 3 392.459 3.574 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1C ZINC001292540594 1043779521 /nfs/dbraw/zinc/77/95/21/1043779521.db2.gz NNONXEJYHNVWGY-UHFFFAOYSA-N 0 3 395.503 3.992 20 5 GHBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC001301379028 1046515732 /nfs/dbraw/zinc/51/57/32/1046515732.db2.gz MYGNTXKQUBCHEK-OAHLLOKOSA-N 0 3 385.489 3.960 20 5 GHBDHN COCC[C@@H](C)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001307416633 1049257281 /nfs/dbraw/zinc/25/72/81/1049257281.db2.gz KTALAJYAUACKGS-MRXNPFEDSA-N 0 3 389.521 3.866 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)N(CC)C[C@H]2C)cc1OC ZINC001307645092 1049471822 /nfs/dbraw/zinc/47/18/22/1049471822.db2.gz USNOVHWTPGOFIF-GVDBMIGSSA-N 0 3 393.528 3.943 20 5 GHBDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC001307745965 1049558024 /nfs/dbraw/zinc/55/80/24/1049558024.db2.gz FMGOQDKAPKDPJF-PBFPGSCMSA-N 0 3 381.448 3.858 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC001307898298 1049676292 /nfs/dbraw/zinc/67/62/92/1049676292.db2.gz WVEJDSCKSSFBLH-IBGZPJMESA-N 0 3 376.840 3.611 20 5 GHBDHN CCOc1cc(N2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001308734345 1050075589 /nfs/dbraw/zinc/07/55/89/1050075589.db2.gz LWTPXBPBRRYDHS-QUCCMNQESA-N 0 3 381.476 3.919 20 5 GHBDHN COc1c([O-])ccc(C[NH2+][C@H](C)Cc2cn(C)c3ccc(F)cc23)c1[N+](=O)[O-] ZINC001308817230 1050105614 /nfs/dbraw/zinc/10/56/14/1050105614.db2.gz OGCVCIFHZVDPNO-GFCCVEGCSA-N 0 3 387.411 3.661 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC001331731878 1051363649 /nfs/dbraw/zinc/36/36/49/1051363649.db2.gz ZMXVGVDMKFLVJM-IAGOWNOFSA-N 0 3 385.247 3.648 20 5 GHBDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cn1 ZINC001333831185 1051850370 /nfs/dbraw/zinc/85/03/70/1051850370.db2.gz ROXCOWIZDBBJSW-XGSMCBPESA-N 0 3 392.463 3.560 20 5 GHBDHN CC(COC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)[N+](=O)[O-] ZINC001344449103 1054477911 /nfs/dbraw/zinc/47/79/11/1054477911.db2.gz UQCHMORLHSVIJY-MRVPVSSYSA-N 0 3 375.233 3.868 20 5 GHBDHN COCCO[C@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320700026 1055933392 /nfs/dbraw/zinc/93/33/92/1055933392.db2.gz XDQWZUDNJFCPQL-AWEZNQCLSA-N 0 3 380.828 3.746 20 5 GHBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320837235 1055981413 /nfs/dbraw/zinc/98/14/13/1055981413.db2.gz QENFVHTVQPQTOR-ZFWWWQNUSA-N 0 3 378.812 3.940 20 5 GHBDHN Cn1cc([C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2)cn1 ZINC001320967979 1056036461 /nfs/dbraw/zinc/03/64/61/1056036461.db2.gz VERVMWIOJGPVJF-QFIPXVFZSA-N 0 3 391.475 3.676 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@H]3CCCN4C)c([N+](=O)[O-])c2)cc1 ZINC001472867988 1056975557 /nfs/dbraw/zinc/97/55/57/1056975557.db2.gz WHCWFFOCRDWBBH-RBUKOAKNSA-N 0 3 394.475 3.828 20 5 GHBDHN CC1(C)COCCN1CCNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001327213163 1057622943 /nfs/dbraw/zinc/62/29/43/1057622943.db2.gz PPYKVPPEYQESQB-UHFFFAOYSA-N 0 3 393.871 3.709 20 5 GHBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H](CN1CCCC1)c1ccccc1 ZINC001440533150 1058531720 /nfs/dbraw/zinc/53/17/20/1058531720.db2.gz CYFMQDOXOIFRLX-LJQANCHMSA-N 0 3 385.439 3.620 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)N2CCCC2)cc1 ZINC001442590909 1058980854 /nfs/dbraw/zinc/98/08/54/1058980854.db2.gz HLZYYZUDJXJJOW-FQEVSTJZSA-N 0 3 385.439 3.918 20 5 GHBDHN CCC(CC)Nc1ccncc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001450360273 1060580709 /nfs/dbraw/zinc/58/07/09/1060580709.db2.gz PWALFSOVMXAUCZ-UHFFFAOYSA-N 0 3 376.844 3.847 20 5 GHBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001455650289 1062246867 /nfs/dbraw/zinc/24/68/67/1062246867.db2.gz OHNZBFMFGIHVBY-UHFFFAOYSA-N 0 3 396.369 3.969 20 5 GHBDHN CN(Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001458367986 1063766665 /nfs/dbraw/zinc/76/66/65/1063766665.db2.gz MITMYTCVWIPVEZ-UHFFFAOYSA-N 0 3 376.254 3.678 20 5 GHBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@]1(O)CCc2ccccc21 ZINC001460284645 1068906817 /nfs/dbraw/zinc/90/68/17/1068906817.db2.gz UCWVZGSUPINOMK-SFHVURJKSA-N 0 3 391.265 3.623 20 5 GHBDHN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC001472560977 1073551873 /nfs/dbraw/zinc/55/18/73/1073551873.db2.gz VPOUKPZDKFWKTL-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN Cc1cccc(N2CCN(CCCCNc3nc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC001472654493 1073598423 /nfs/dbraw/zinc/59/84/23/1073598423.db2.gz FAIAZHRZOSARNW-UHFFFAOYSA-N 0 3 383.496 3.621 20 5 GHBDHN CC(C)(C)CCN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001473116095 1073787884 /nfs/dbraw/zinc/78/78/84/1073787884.db2.gz FRAFOZDJRKRRDN-UHFFFAOYSA-N 0 3 384.318 3.911 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001474069920 1074254042 /nfs/dbraw/zinc/25/40/42/1074254042.db2.gz USTVUVZXFMMWPX-LJQANCHMSA-N 0 3 381.476 3.535 20 5 GHBDHN Cc1ccc(CNCc2ccc(CN(C)C)c3c2OC(F)(F)O3)cc1[N+](=O)[O-] ZINC001474239613 1074305655 /nfs/dbraw/zinc/30/56/55/1074305655.db2.gz CCVNWWGGHIBLBH-UHFFFAOYSA-N 0 3 393.390 3.576 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1Cl ZINC001474628394 1074490059 /nfs/dbraw/zinc/49/00/59/1074490059.db2.gz DTNMFVCNDXNWOW-INIZCTEOSA-N 0 3 396.274 3.897 20 5 GHBDHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cc(F)ccc1[N+](=O)[O-] ZINC001620623778 1126241483 /nfs/dbraw/zinc/24/14/83/1126241483.db2.gz HANFQLHMLOYRAL-QGZVFWFLSA-N 0 3 397.244 3.580 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000584011268 835426725 /nfs/dbraw/zinc/42/67/25/835426725.db2.gz HJSHBLVLKFKFLP-MFKMUULPSA-N 0 3 383.246 3.887 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCc3sccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000411150207 836068438 /nfs/dbraw/zinc/06/84/38/836068438.db2.gz ZANIOQPAYARZDR-GFCCVEGCSA-N 0 3 375.450 3.613 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609784704 836146252 /nfs/dbraw/zinc/14/62/52/836146252.db2.gz RHSWVJDTDJQWCO-YOEHRIQHSA-N 0 3 387.867 3.742 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612479116 836284143 /nfs/dbraw/zinc/28/41/43/836284143.db2.gz UETGPKIGHFJBKG-KRWDZBQOSA-N 0 3 399.466 3.880 20 5 GHBDHN COc1cc(CN2CCC[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563067206 836464260 /nfs/dbraw/zinc/46/42/60/836464260.db2.gz FBQLKYJBHDRSNU-JSGCOSHPSA-N 0 3 386.395 3.596 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000175666449 836923819 /nfs/dbraw/zinc/92/38/19/836923819.db2.gz IPKKIZYZSCFLSX-CQSZACIVSA-N 0 3 393.534 3.727 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510951222 844238927 /nfs/dbraw/zinc/23/89/27/844238927.db2.gz KYVKJGVDKBCYDH-UONOGXRCSA-N 0 3 387.402 3.745 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510951218 844239230 /nfs/dbraw/zinc/23/92/30/844239230.db2.gz KYVKJGVDKBCYDH-KBPBESRZSA-N 0 3 387.402 3.745 20 5 GHBDHN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccccc1[N+](=O)[O-] ZINC000180413502 837237622 /nfs/dbraw/zinc/23/76/22/837237622.db2.gz QJBNWZCMPBTHCS-CQSZACIVSA-N 0 3 375.856 3.775 20 5 GHBDHN COc1cc(CNCCc2cccnc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101591499 837968129 /nfs/dbraw/zinc/96/81/29/837968129.db2.gz BULPGYMNCJEXJJ-UHFFFAOYSA-N 0 3 393.443 3.910 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCN(CCCc2ccccc2)CC1 ZINC000101604365 837970613 /nfs/dbraw/zinc/97/06/13/837970613.db2.gz QDOOGSSYYLWGKJ-UHFFFAOYSA-N 0 3 382.464 3.767 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000129061616 844315819 /nfs/dbraw/zinc/31/58/19/844315819.db2.gz YVZYQFRTFVGVCL-UHFFFAOYSA-N 0 3 399.516 3.810 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000064869140 838345271 /nfs/dbraw/zinc/34/52/71/838345271.db2.gz YEYIZFTWAGSQOH-GOSISDBHSA-N 0 3 396.472 3.751 20 5 GHBDHN Cc1cccc2nc(C3CCN(C[C@H](O)c4cccc([N+](=O)[O-])c4)CC3)oc21 ZINC000189815118 838414531 /nfs/dbraw/zinc/41/45/31/838414531.db2.gz YVUDGTWBBPLJAF-IBGZPJMESA-N 0 3 381.432 3.957 20 5 GHBDHN C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000471533902 838789831 /nfs/dbraw/zinc/78/98/31/838789831.db2.gz YOMXLFWCZUZOHN-VBKZILBWSA-N 0 3 382.464 3.590 20 5 GHBDHN CN(C(=O)CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000549156717 839077111 /nfs/dbraw/zinc/07/71/11/839077111.db2.gz LECKFPHMCMTMSC-ZHPFXUNLSA-N 0 3 379.460 3.968 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000549172099 839146683 /nfs/dbraw/zinc/14/66/83/839146683.db2.gz QXOCSVHPRCLJMU-KRWDZBQOSA-N 0 3 398.381 3.528 20 5 GHBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000584694847 840572156 /nfs/dbraw/zinc/57/21/56/840572156.db2.gz ZFFYHKPUBFGANL-AWEZNQCLSA-N 0 3 391.418 3.567 20 5 GHBDHN CS(=O)(=O)Nc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417320350 840719504 /nfs/dbraw/zinc/71/95/04/840719504.db2.gz JMLVRHRASODVOM-LJQANCHMSA-N 0 3 389.477 3.524 20 5 GHBDHN COc1ccc(CSCC(=O)Nc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000047454226 840838092 /nfs/dbraw/zinc/83/80/92/840838092.db2.gz JIAJIJRLKDCRKY-UHFFFAOYSA-N 0 3 389.477 3.537 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cc(O)ccc3Br)c2c1 ZINC000584803031 840914133 /nfs/dbraw/zinc/91/41/33/840914133.db2.gz XNPOGPWKQNQNFG-UHFFFAOYSA-N 0 3 390.237 3.877 20 5 GHBDHN COc1cccc([C@H]2[C@H](NCc3cc([N+](=O)[O-])ccc3OC)CCN2C2CC2)c1 ZINC000549476283 841062816 /nfs/dbraw/zinc/06/28/16/841062816.db2.gz DFJMQBULTQQUJV-IRLDBZIGSA-N 0 3 397.475 3.680 20 5 GHBDHN Cc1c(CC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000126482879 841149338 /nfs/dbraw/zinc/14/93/38/841149338.db2.gz WPNRJUHCKNPATH-QGZVFWFLSA-N 0 3 381.476 3.569 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)CC1 ZINC000471663626 841494767 /nfs/dbraw/zinc/49/47/67/841494767.db2.gz JISADVYJXLKFGC-UHFFFAOYSA-N 0 3 394.431 3.735 20 5 GHBDHN Cc1cc(NCCCN2C(=O)COc3ccccc32)c2cc([N+](=O)[O-])ccc2n1 ZINC000302139423 861215668 /nfs/dbraw/zinc/21/56/68/861215668.db2.gz FAGYJRZAZYVUNI-UHFFFAOYSA-N 0 3 392.415 3.679 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C3CCOCC3)CC2)s1 ZINC000131176085 861248010 /nfs/dbraw/zinc/24/80/10/861248010.db2.gz MGCVAYWFURKVLH-UHFFFAOYSA-N 0 3 387.505 3.620 20 5 GHBDHN C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000126743149 842014377 /nfs/dbraw/zinc/01/43/77/842014377.db2.gz SHXFWOPIMAEKIE-CVEARBPZSA-N 0 3 386.471 3.898 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)s1 ZINC000600208926 861283199 /nfs/dbraw/zinc/28/31/99/861283199.db2.gz RVOYROPXOTYZEX-OKXMYEFYSA-N 0 3 376.503 3.809 20 5 GHBDHN C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@H](C)C1 ZINC000581923232 842698726 /nfs/dbraw/zinc/69/87/26/842698726.db2.gz IWHFPDPDOFBWAL-HZPDHXFCSA-N 0 3 377.488 3.532 20 5 GHBDHN CCn1nccc1C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000279461496 843068227 /nfs/dbraw/zinc/06/82/27/843068227.db2.gz REROBESCYDCOBW-UHFFFAOYSA-N 0 3 394.479 3.591 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(c3ccccc3Cl)C2)cc1 ZINC000512469752 843909173 /nfs/dbraw/zinc/90/91/73/843909173.db2.gz SUOPLACAIFUOJQ-UHFFFAOYSA-N 0 3 394.880 3.558 20 5 GHBDHN C[C@@](CO)(NC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000512888664 843940874 /nfs/dbraw/zinc/94/08/74/843940874.db2.gz BQPAQRYSXNKSGZ-JXTAAOLFSA-N 0 3 391.265 3.868 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000729245552 844806809 /nfs/dbraw/zinc/80/68/09/844806809.db2.gz UWYCBNZTPLUKER-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000509777794 845136097 /nfs/dbraw/zinc/13/60/97/845136097.db2.gz RXQRNRHAXPZAKS-QFBILLFUSA-N 0 3 397.475 3.901 20 5 GHBDHN COc1cc(CNCCc2ccsc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237203138 846191957 /nfs/dbraw/zinc/19/19/57/846191957.db2.gz TWAHNCQASIUADC-UHFFFAOYSA-N 0 3 390.383 3.938 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000511091523 846630577 /nfs/dbraw/zinc/63/05/77/846630577.db2.gz LYJPZLNCZYEFOZ-SIKLNZKXSA-N 0 3 384.476 3.524 20 5 GHBDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599840881 861779619 /nfs/dbraw/zinc/77/96/19/861779619.db2.gz UYMUDHPJSCMBHN-UHFFFAOYSA-N 0 3 399.476 3.800 20 5 GHBDHN CC(C)Oc1cc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000413408477 847368290 /nfs/dbraw/zinc/36/82/90/847368290.db2.gz NAMFNLLUCVXOJQ-KRWDZBQOSA-N 0 3 383.448 3.515 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413563244 847732822 /nfs/dbraw/zinc/73/28/22/847732822.db2.gz BYUWVJZLLPJRME-FCHUYYIVSA-N 0 3 393.487 3.821 20 5 GHBDHN Cc1c(CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000480071581 848062345 /nfs/dbraw/zinc/06/23/45/848062345.db2.gz JRVWJFDJCALPGA-KRWDZBQOSA-N 0 3 396.491 3.709 20 5 GHBDHN CC[C@H](C)C(=O)Nc1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000548761210 848240692 /nfs/dbraw/zinc/24/06/92/848240692.db2.gz QUZKQOIHCKUZPV-HNNXBMFYSA-N 0 3 398.463 3.698 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481720090 862097145 /nfs/dbraw/zinc/09/71/45/862097145.db2.gz SJOHSLVITPEWKB-QFIPXVFZSA-N 0 3 395.459 3.753 20 5 GHBDHN CC(C)(NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000487800610 850925314 /nfs/dbraw/zinc/92/53/14/850925314.db2.gz LXLNHYGDZLBWPN-IBGZPJMESA-N 0 3 396.491 3.966 20 5 GHBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000425437465 851074809 /nfs/dbraw/zinc/07/48/09/851074809.db2.gz YLJRQVXSCITOSN-CABCVRRESA-N 0 3 379.258 3.827 20 5 GHBDHN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000163045724 862257942 /nfs/dbraw/zinc/25/79/42/862257942.db2.gz IGZHANOTMJSWPP-HUBLWGQQSA-N 0 3 389.839 3.730 20 5 GHBDHN CCn1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(-c2ccccc2)n1 ZINC000894581198 851745207 /nfs/dbraw/zinc/74/52/07/851745207.db2.gz YGKUQEIZNUCCPB-UHFFFAOYSA-N 0 3 380.452 3.512 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000604539628 862291755 /nfs/dbraw/zinc/29/17/55/862291755.db2.gz ABADUESUQWFKAW-UHFFFAOYSA-N 0 3 392.459 3.733 20 5 GHBDHN COC(=O)[C@]1(c2ccccc2)CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000489011409 851921620 /nfs/dbraw/zinc/92/16/20/851921620.db2.gz KVXPCRSARRDCHI-JOCHJYFZSA-N 0 3 391.427 3.773 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000515918565 851945419 /nfs/dbraw/zinc/94/54/19/851945419.db2.gz IPZWIFDFDBSMKU-FCONWMNKSA-N 0 3 399.413 3.779 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490017045 852725003 /nfs/dbraw/zinc/72/50/03/852725003.db2.gz XMEOMIKRXMYLIP-QFBILLFUSA-N 0 3 396.491 3.650 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000507578331 853049813 /nfs/dbraw/zinc/04/98/13/853049813.db2.gz DZHLGRSJYKQBRQ-NVXWUHKLSA-N 0 3 385.489 3.639 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000151113578 853067659 /nfs/dbraw/zinc/06/76/59/853067659.db2.gz SGJAWFWWXITZFO-FQEVSTJZSA-N 0 3 385.439 3.538 20 5 GHBDHN C[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000437463429 853163449 /nfs/dbraw/zinc/16/34/49/853163449.db2.gz SJFZNKGAWAFFHD-SFHVURJKSA-N 0 3 396.491 3.520 20 5 GHBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517009348 853250753 /nfs/dbraw/zinc/25/07/53/853250753.db2.gz OTJMVMWWYBQNOO-CVEARBPZSA-N 0 3 377.488 3.532 20 5 GHBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)COCc2ccccc2Cl)C2CC2)cc1 ZINC000490824092 853276653 /nfs/dbraw/zinc/27/66/53/853276653.db2.gz GRNJPLXWZRXLBV-LJQANCHMSA-N 0 3 390.867 3.790 20 5 GHBDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517048217 853306551 /nfs/dbraw/zinc/30/65/51/853306551.db2.gz NLXFVMNSJBCYFI-RBUKOAKNSA-N 0 3 383.448 3.507 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N(C)C)cc1 ZINC000426308738 853401973 /nfs/dbraw/zinc/40/19/73/853401973.db2.gz XFCRPURWRJKDDA-OAQYLSRUSA-N 0 3 396.491 3.880 20 5 GHBDHN C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000491146305 853459149 /nfs/dbraw/zinc/45/91/49/853459149.db2.gz MQAOVJBTODDDND-HNAYVOBHSA-N 0 3 384.480 3.821 20 5 GHBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760657019 853659188 /nfs/dbraw/zinc/65/91/88/853659188.db2.gz OQORMTRRBJLFEK-KRWDZBQOSA-N 0 3 387.867 3.985 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441373565 854156871 /nfs/dbraw/zinc/15/68/71/854156871.db2.gz BRRWDUWPTRAHRH-ZIAGYGMSSA-N 0 3 387.402 3.779 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000543545720 862647344 /nfs/dbraw/zinc/64/73/44/862647344.db2.gz JFJVGHLBYVHZLU-ZKTNFTSUSA-N 0 3 389.839 3.730 20 5 GHBDHN CC1CCN([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000027573676 855209582 /nfs/dbraw/zinc/20/95/82/855209582.db2.gz NADPNAKLGTZBOJ-GOSISDBHSA-N 0 3 387.505 3.788 20 5 GHBDHN C[C@@H]1[C@H](O)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000590661463 855536745 /nfs/dbraw/zinc/53/67/45/855536745.db2.gz SBZDXHKAHXIBSK-MEBBXXQBSA-N 0 3 381.226 3.572 20 5 GHBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000573243495 856020142 /nfs/dbraw/zinc/02/01/42/856020142.db2.gz PHOKXOBGMWBPQS-HIFRSBDPSA-N 0 3 397.401 3.842 20 5 GHBDHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000729525808 856334762 /nfs/dbraw/zinc/33/47/62/856334762.db2.gz MOIMFGIMAFQPLF-HXUWFJFHSA-N 0 3 396.491 3.688 20 5 GHBDHN Cc1ccc([C@@H](C)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000153474724 856659609 /nfs/dbraw/zinc/65/96/09/856659609.db2.gz ZPCGQRRHGNBSRJ-QZTJIDSGSA-N 0 3 383.492 3.975 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000573967026 856832285 /nfs/dbraw/zinc/83/22/85/856832285.db2.gz BDJJDCUFXAAXCI-IBGZPJMESA-N 0 3 386.452 3.590 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001128960615 857100365 /nfs/dbraw/zinc/10/03/65/857100365.db2.gz BDFMILQLTDAQPH-INIZCTEOSA-N 0 3 381.476 3.806 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3cn4ccccc4n3)cs2)c1 ZINC000113319358 857424408 /nfs/dbraw/zinc/42/44/08/857424408.db2.gz HKDPKCNHJNVMDF-UHFFFAOYSA-N 0 3 379.445 3.698 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCC(=O)N1Cc2ccccc2C1 ZINC000595019870 858353040 /nfs/dbraw/zinc/35/30/40/858353040.db2.gz RMBVLFRCSGMYDM-OAHLLOKOSA-N 0 3 383.448 3.577 20 5 GHBDHN CCN1CCN(c2ccccc2N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595028621 858372301 /nfs/dbraw/zinc/37/23/01/858372301.db2.gz FFNORWKJDGIYAW-INIZCTEOSA-N 0 3 384.480 3.918 20 5 GHBDHN COc1ccccc1-c1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000595105084 858406399 /nfs/dbraw/zinc/40/63/99/858406399.db2.gz XEFZXHAEPFLPTI-AEFFLSMTSA-N 0 3 397.435 3.728 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cc(F)ccc2OC(F)F)n1 ZINC000595092964 858417897 /nfs/dbraw/zinc/41/78/97/858417897.db2.gz BXGNGHHSJVZTAY-UONOGXRCSA-N 0 3 384.358 3.805 20 5 GHBDHN COc1cc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([N+](=O)[O-])cc1OCC(F)F ZINC000522035594 858554289 /nfs/dbraw/zinc/55/42/89/858554289.db2.gz ALADUAZZEIYHKZ-VHKYSDTDSA-N 0 3 390.386 3.675 20 5 GHBDHN Cc1cccc(C2(NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)c1 ZINC000543135722 858556283 /nfs/dbraw/zinc/55/62/83/858556283.db2.gz USKNPGFFTGKOHT-UHFFFAOYSA-N 0 3 388.489 3.736 20 5 GHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593027819 858565250 /nfs/dbraw/zinc/56/52/50/858565250.db2.gz FPGYAQOYNSXIEK-UWVGGRQHSA-N 0 3 398.284 3.882 20 5 GHBDHN C[C@]1(Cc2ccccc2Cl)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595637482 858626022 /nfs/dbraw/zinc/62/60/22/858626022.db2.gz XXGSVAISLYBODH-LJQANCHMSA-N 0 3 375.856 3.507 20 5 GHBDHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000595752507 858675574 /nfs/dbraw/zinc/67/55/74/858675574.db2.gz LRZLKQHRDLBXBJ-QGZVFWFLSA-N 0 3 387.411 3.908 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(c3sccc3[N+](=O)[O-])C2)ccn1 ZINC000856535176 881347086 /nfs/dbraw/zinc/34/70/86/881347086.db2.gz QHGPWBZEPPRITG-INIZCTEOSA-N 0 3 376.482 3.549 20 5 GHBDHN COc1ccc(C[C@H](C)[NH2+]Cc2cc(Cl)c([O-])c(OC)c2)c([N+](=O)[O-])c1 ZINC001170319261 881349663 /nfs/dbraw/zinc/34/96/63/881349663.db2.gz WHJKRNHZOJTDPA-NSHDSACASA-N 0 3 380.828 3.692 20 5 GHBDHN COc1ccc(C[C@@H](C)[NH2+]Cc2cc(Cl)c([O-])c(OC)c2)c([N+](=O)[O-])c1 ZINC001170319260 881351367 /nfs/dbraw/zinc/35/13/67/881351367.db2.gz WHJKRNHZOJTDPA-LLVKDONJSA-N 0 3 380.828 3.692 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2c(F)cccc2Cl)c(Cl)c1 ZINC000544354458 858893132 /nfs/dbraw/zinc/89/31/32/858893132.db2.gz BYBFUQUQLCQDER-LLVKDONJSA-N 0 3 387.238 3.982 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000160437310 858894365 /nfs/dbraw/zinc/89/43/65/858894365.db2.gz FAJDGBOBDFMFBI-APPDUMDISA-N 0 3 395.431 3.747 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1cc(Cl)ccc1N1CCOCC1 ZINC000466361199 859225597 /nfs/dbraw/zinc/22/55/97/859225597.db2.gz QVIHCSOCQLMDII-HYXAFXHYSA-N 0 3 387.867 3.888 20 5 GHBDHN C[C@H](O)C1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000597233876 859367699 /nfs/dbraw/zinc/36/76/99/859367699.db2.gz BTCVDGXEXWDTNW-JTQLQIEISA-N 0 3 381.226 3.620 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000463951617 859376197 /nfs/dbraw/zinc/37/61/97/859376197.db2.gz PBEZFMBDDSGMQT-VQIMIIECSA-N 0 3 382.464 3.854 20 5 GHBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCCC1 ZINC000611200159 859647228 /nfs/dbraw/zinc/64/72/28/859647228.db2.gz BNZUTXYZUYUTSO-CQSZACIVSA-N 0 3 377.510 3.844 20 5 GHBDHN C[C@@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459167 859777889 /nfs/dbraw/zinc/77/78/89/859777889.db2.gz QRQURJLUJPRQTP-QAPCUYQASA-N 0 3 385.439 3.570 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000154289247 860048626 /nfs/dbraw/zinc/04/86/26/860048626.db2.gz VVHASNOELYZVGK-SMDDNHRTSA-N 0 3 385.247 3.992 20 5 GHBDHN CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000602638895 860172649 /nfs/dbraw/zinc/17/26/49/860172649.db2.gz GWROLZWSRYKPBU-UHFFFAOYSA-N 0 3 395.385 3.504 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@H]2CCO[C@@H](c3ccncc3)C2)cc1Br ZINC000602680486 860213014 /nfs/dbraw/zinc/21/30/14/860213014.db2.gz GQOLHETZYYJNBF-SMDDNHRTSA-N 0 3 398.282 3.824 20 5 GHBDHN O=c1ccc([C@@H]2OCC[C@H]2NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c[nH]1 ZINC000599002370 860719772 /nfs/dbraw/zinc/71/97/72/860719772.db2.gz UMTOLVLYMVJVAW-XLIONFOSSA-N 0 3 381.388 3.575 20 5 GHBDHN Cn1c(=O)ccc2c1CCC[C@H]2NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593693586 860906629 /nfs/dbraw/zinc/90/66/29/860906629.db2.gz AAYCZDKLSVFKJY-QGZVFWFLSA-N 0 3 379.416 3.721 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000137467644 863980030 /nfs/dbraw/zinc/98/00/30/863980030.db2.gz FSPVQHOCJWSMBJ-RHSMWYFYSA-N 0 3 387.867 3.570 20 5 GHBDHN Cc1ccccc1C[C@@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000734145537 864033762 /nfs/dbraw/zinc/03/37/62/864033762.db2.gz LSNHSDPSRFEKKL-IBGZPJMESA-N 0 3 377.448 3.826 20 5 GHBDHN C[C@@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475128502 864267476 /nfs/dbraw/zinc/26/74/76/864267476.db2.gz IKROHYRQUJPGMP-UZLBHIALSA-N 0 3 382.464 3.572 20 5 GHBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2ccccc2s1 ZINC000184352834 864365192 /nfs/dbraw/zinc/36/51/92/864365192.db2.gz XIMLAVBBOPGJEV-NSHDSACASA-N 0 3 399.428 3.828 20 5 GHBDHN Cn1nccc1[C@@H](O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000857062100 881978409 /nfs/dbraw/zinc/97/84/09/881978409.db2.gz XSBREZPOJJMMCC-NRFANRHFSA-N 0 3 396.447 3.534 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000456338036 866498887 /nfs/dbraw/zinc/49/88/87/866498887.db2.gz NZNQWXQXKIUMRY-INIZCTEOSA-N 0 3 392.459 3.670 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000783608672 866805107 /nfs/dbraw/zinc/80/51/07/866805107.db2.gz HXBZDKWRJQPVFY-HNNXBMFYSA-N 0 3 390.745 3.970 20 5 GHBDHN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183601012 866893156 /nfs/dbraw/zinc/89/31/56/866893156.db2.gz MHBIEPHIDBWUBA-CYBMUJFWSA-N 0 3 399.838 3.723 20 5 GHBDHN COc1ccc(C[C@H]2CCCN(Cn3ncc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC000742155926 867108265 /nfs/dbraw/zinc/10/82/65/867108265.db2.gz OGUNAQSRLBCOBP-QGZVFWFLSA-N 0 3 380.448 3.865 20 5 GHBDHN CCCN(CCN1CCCC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000553399784 867324230 /nfs/dbraw/zinc/32/42/30/867324230.db2.gz FXBVSRGOIACJDH-UHFFFAOYSA-N 0 3 382.464 3.605 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000444926673 867474510 /nfs/dbraw/zinc/47/45/10/867474510.db2.gz XZVRDWGYFBPPGU-SFHVURJKSA-N 0 3 384.436 3.562 20 5 GHBDHN COc1cnccc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000475627466 868353044 /nfs/dbraw/zinc/35/30/44/868353044.db2.gz SZDZSKMJOFBHGE-UHFFFAOYSA-N 0 3 394.431 3.581 20 5 GHBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128281 868769179 /nfs/dbraw/zinc/76/91/79/868769179.db2.gz GUAZSCQOPNJNCY-GZBFAFLISA-N 0 3 397.928 3.529 20 5 GHBDHN Cc1nn(-c2ccc(Cl)cc2)cc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000525182713 870123947 /nfs/dbraw/zinc/12/39/47/870123947.db2.gz SEWPIJABGDBNJE-UHFFFAOYSA-N 0 3 386.839 3.911 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000462904750 870348903 /nfs/dbraw/zinc/34/89/03/870348903.db2.gz BJALXJVDLMWAJC-CYBMUJFWSA-N 0 3 395.381 3.951 20 5 GHBDHN CC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000540186128 870704202 /nfs/dbraw/zinc/70/42/02/870704202.db2.gz MQSFVRXZVVBQIA-AYWYSENESA-N 0 3 379.460 3.793 20 5 GHBDHN Cn1c(CNc2cc3c(cc2[N+](=O)[O-])CNC3)nc2cc(C(F)(F)F)ccc21 ZINC001169034409 871112156 /nfs/dbraw/zinc/11/21/56/871112156.db2.gz OWDCVSLDQIZTJH-UHFFFAOYSA-N 0 3 391.353 3.716 20 5 GHBDHN CCN1CCC[C@@H](CN(C)c2cc(C)c([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C)c1 ZINC000461936982 871313121 /nfs/dbraw/zinc/31/31/21/871313121.db2.gz SEVZBKSCECFQQV-MGPUTAFESA-N 0 3 389.475 3.685 20 5 GHBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(CC)CC ZINC001169569865 871644154 /nfs/dbraw/zinc/64/41/54/871644154.db2.gz VIHWGDSJEPWSSY-HOTGVXAUSA-N 0 3 383.876 3.760 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462156650 871709272 /nfs/dbraw/zinc/70/92/72/871709272.db2.gz DHUSXKYDNKLTBD-UZLBHIALSA-N 0 3 381.476 3.509 20 5 GHBDHN Cc1ccc([C@@H](CN2CCOCC2)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447520131 871743456 /nfs/dbraw/zinc/74/34/56/871743456.db2.gz IZQADIYNDKDRHF-XZOQPEGZSA-N 0 3 395.503 3.944 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000462190729 871757764 /nfs/dbraw/zinc/75/77/64/871757764.db2.gz QLOLXYNCZSFUED-QRWLVFNGSA-N 0 3 399.466 3.648 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccccc2OC(F)(F)F)n1 ZINC000447536386 871800727 /nfs/dbraw/zinc/80/07/27/871800727.db2.gz MUNPLIZQECYMCV-UONOGXRCSA-N 0 3 384.358 3.963 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc(Cl)cc3c2OCC3)n1 ZINC000447598601 871912355 /nfs/dbraw/zinc/91/23/55/871912355.db2.gz VXCFOQPRWAMOTF-HZPDHXFCSA-N 0 3 376.844 3.653 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2sccc2Br)n1 ZINC000447578207 871925816 /nfs/dbraw/zinc/92/58/16/871925816.db2.gz DKAOALROIGTDRP-NWDGAFQWSA-N 0 3 385.287 3.889 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000101930709 872392300 /nfs/dbraw/zinc/39/23/00/872392300.db2.gz XUSGHXWKNVXRBA-INIZCTEOSA-N 0 3 382.464 3.702 20 5 GHBDHN COC(=O)c1cnc(NC[C@@H](c2ccccc2)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000478294085 872787998 /nfs/dbraw/zinc/78/79/98/872787998.db2.gz RQEAUOXZGBSGIU-IBGZPJMESA-N 0 3 398.463 3.662 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN[C@@H](Cc2cccnc2)C2CCCC2)o1 ZINC001197194499 873644472 /nfs/dbraw/zinc/64/44/72/873644472.db2.gz NVMKVGIURMJFFH-SFHVURJKSA-N 0 3 393.447 3.931 20 5 GHBDHN C[C@H](C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000541583373 873871850 /nfs/dbraw/zinc/87/18/50/873871850.db2.gz RAIVSBYBAMWZDN-SJORKVTESA-N 0 3 399.466 3.960 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000449299543 874686546 /nfs/dbraw/zinc/68/65/46/874686546.db2.gz NGMSGVSHUVZCIW-SWLSCSKDSA-N 0 3 384.354 3.748 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000449341627 874730463 /nfs/dbraw/zinc/73/04/63/874730463.db2.gz VDPFXDIBEKCOTO-BZNIZROVSA-N 0 3 397.244 3.751 20 5 GHBDHN COc1cc(CN[C@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000449447980 874870929 /nfs/dbraw/zinc/87/09/29/874870929.db2.gz DBBBEGRHILCRQH-OAHLLOKOSA-N 0 3 388.464 3.822 20 5 GHBDHN CCC1(CNCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])COC1 ZINC000449601131 875125753 /nfs/dbraw/zinc/12/57/53/875125753.db2.gz QMOFCEPQGZTOQQ-UHFFFAOYSA-N 0 3 386.448 3.699 20 5 GHBDHN CC[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NC ZINC000449780762 875385650 /nfs/dbraw/zinc/38/56/50/875385650.db2.gz VONIMYRIMCWXGC-HNNXBMFYSA-N 0 3 377.828 3.655 20 5 GHBDHN COc1cccc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1Cl ZINC000851108049 877413877 /nfs/dbraw/zinc/41/38/77/877413877.db2.gz IKSCVCDKYLKWPS-BBATYDOGSA-N 0 3 381.787 3.980 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787813217 877632223 /nfs/dbraw/zinc/63/22/23/877632223.db2.gz UJNOJYWBOOSJTH-BBRMVZONSA-N 0 3 388.855 3.890 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000477536338 877789697 /nfs/dbraw/zinc/78/96/97/877789697.db2.gz LAVAFUGSSDCJMC-MRXNPFEDSA-N 0 3 396.365 3.632 20 5 GHBDHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001183146042 912301213 /nfs/dbraw/zinc/30/12/13/912301213.db2.gz PTLOVPTYEKRDGV-JOCQHMNTSA-N 0 3 390.440 3.662 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000180858427 879408853 /nfs/dbraw/zinc/40/88/53/879408853.db2.gz AMMUFWXYPCZBLK-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN CCOc1cc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000493910008 879711052 /nfs/dbraw/zinc/71/10/52/879711052.db2.gz YCSKVUIJLSVGDP-VQIMIIECSA-N 0 3 378.375 3.892 20 5 GHBDHN C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(C)CC1 ZINC000499151522 881306542 /nfs/dbraw/zinc/30/65/42/881306542.db2.gz OHGPILJFOCVHKD-CQSZACIVSA-N 0 3 388.493 3.569 20 5 GHBDHN O=C1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H](C2CC2)N1 ZINC000556403952 884794954 /nfs/dbraw/zinc/79/49/54/884794954.db2.gz LSZAKLQXUMQIHR-DYESRHJHSA-N 0 3 399.422 3.673 20 5 GHBDHN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000806949505 885141422 /nfs/dbraw/zinc/14/14/22/885141422.db2.gz GEGCEKYMKACPTN-ACJLOTCBSA-N 0 3 390.871 3.739 20 5 GHBDHN CCCn1ccnc1CCCN(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000762073813 885314227 /nfs/dbraw/zinc/31/42/27/885314227.db2.gz JOHKGKYISLTYNW-UHFFFAOYSA-N 0 3 382.468 3.587 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000532467209 885614731 /nfs/dbraw/zinc/61/47/31/885614731.db2.gz RTCGHNFORIFUGY-ZWKOTPCHSA-N 0 3 383.492 3.975 20 5 GHBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1[N+](=O)[O-] ZINC000862283537 886276160 /nfs/dbraw/zinc/27/61/60/886276160.db2.gz JVMUDBFVHXMKOH-MPGHIAIKSA-N 0 3 393.484 3.578 20 5 GHBDHN C[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000556870333 886424248 /nfs/dbraw/zinc/42/42/48/886424248.db2.gz NAPHJSKDPAGYPI-DYESRHJHSA-N 0 3 393.491 3.528 20 5 GHBDHN COc1cc(CNC[C@H](C)c2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272494275 887590282 /nfs/dbraw/zinc/59/02/82/887590282.db2.gz UZCOMBOVCFNKHY-JTQLQIEISA-N 0 3 399.394 3.745 20 5 GHBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000287182223 913166868 /nfs/dbraw/zinc/16/68/68/913166868.db2.gz ORKPOLLVUULISM-BTYIYWSLSA-N 0 3 375.472 3.792 20 5 GHBDHN C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809770309 887758198 /nfs/dbraw/zinc/75/81/98/887758198.db2.gz VYNCZRSRAKKLHD-QRWLVFNGSA-N 0 3 390.867 3.790 20 5 GHBDHN Cc1c(NC(=O)CCN2CCCO[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000609233277 888098754 /nfs/dbraw/zinc/09/87/54/888098754.db2.gz CHPGAIVCSCUJFD-FQEVSTJZSA-N 0 3 383.448 3.695 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000139187180 888457956 /nfs/dbraw/zinc/45/79/56/888457956.db2.gz GMSKLAXVEJSDCG-HKUYNNGSSA-N 0 3 397.475 3.624 20 5 GHBDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000130229612 889491026 /nfs/dbraw/zinc/49/10/26/889491026.db2.gz WPRGGMJWSFECHK-VQTJNVASSA-N 0 3 386.448 3.607 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000154206685 890280180 /nfs/dbraw/zinc/28/01/80/890280180.db2.gz TUILISWWFAAYBH-SFHVURJKSA-N 0 3 399.274 3.820 20 5 GHBDHN O=[N+]([O-])c1cc(Br)cnc1NCCCN1CCc2ccccc2C1 ZINC001184819133 913459397 /nfs/dbraw/zinc/45/93/97/913459397.db2.gz AHZWIRGIBMHYAV-UHFFFAOYSA-N 0 3 391.269 3.613 20 5 GHBDHN CC(COC(=O)c1cccc(Sc2cccc(Br)c2)n1)[N+](=O)[O-] ZINC000813110281 891304388 /nfs/dbraw/zinc/30/43/88/891304388.db2.gz WJZXDDUIYFQJLP-SNVBAGLBSA-N 0 3 397.250 3.817 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCN(CCC(C)(C)C)CC2)cc1C ZINC001184972864 913554078 /nfs/dbraw/zinc/55/40/78/913554078.db2.gz KCKQNGDCVOYPJP-UHFFFAOYSA-N 0 3 377.485 3.638 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000717060676 891662114 /nfs/dbraw/zinc/66/21/14/891662114.db2.gz BNTFQSCBGVFDRK-CQSZACIVSA-N 0 3 385.411 3.577 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000179241205 891675422 /nfs/dbraw/zinc/67/54/22/891675422.db2.gz HVOYZBFBIKTERR-OAHLLOKOSA-N 0 3 375.469 3.816 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC000154439473 892179370 /nfs/dbraw/zinc/17/93/70/892179370.db2.gz MXNYDKUIPOWCJE-UXHICEINSA-N 0 3 398.484 3.926 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000154511331 892516214 /nfs/dbraw/zinc/51/62/14/892516214.db2.gz QFMAZBSADLBNKV-JOCHJYFZSA-N 0 3 395.434 3.907 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000717072234 892711185 /nfs/dbraw/zinc/71/11/85/892711185.db2.gz ZVFAVQBYTZGVEG-CQSZACIVSA-N 0 3 385.411 3.577 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(N[C@H]3CCOc4c(Cl)c(Cl)ccc43)C2)c1 ZINC000877475340 893633035 /nfs/dbraw/zinc/63/30/35/893633035.db2.gz PHOWOCRHDPWVKV-FDZGAKKTSA-N 0 3 383.235 3.915 20 5 GHBDHN CCCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000878125347 894037596 /nfs/dbraw/zinc/03/75/96/894037596.db2.gz LATDTRMYXGGIFD-OLMNPRSZSA-N 0 3 386.452 3.670 20 5 GHBDHN CC(COC(=O)CCc1cc(C(F)(F)F)ccc1Br)[N+](=O)[O-] ZINC000816091012 894468799 /nfs/dbraw/zinc/46/87/99/894468799.db2.gz HPEGDLXHVWIFPW-MRVPVSSYSA-N 0 3 384.148 3.609 20 5 GHBDHN CC(COC(=O)CCc1cc(C(F)(F)F)ccc1Br)[N+](=O)[O-] ZINC000816091013 894470128 /nfs/dbraw/zinc/47/01/28/894470128.db2.gz HPEGDLXHVWIFPW-QMMMGPOBSA-N 0 3 384.148 3.609 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001135447161 894599050 /nfs/dbraw/zinc/59/90/50/894599050.db2.gz OFEYTLMFMVIQDZ-GOSISDBHSA-N 0 3 385.489 3.884 20 5 GHBDHN CCN1CCN(C[C@@H](C)CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000565086486 895382884 /nfs/dbraw/zinc/38/28/84/895382884.db2.gz OWPIOMXRTCNKKK-ZDUSSCGKSA-N 0 3 388.434 3.608 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001136086389 895995250 /nfs/dbraw/zinc/99/52/50/895995250.db2.gz SZMOJEPWMGJRFZ-UHFFFAOYSA-N 0 3 391.855 3.890 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000567137876 896905033 /nfs/dbraw/zinc/90/50/33/896905033.db2.gz YNGDILSOIZGUGL-YWZLYKJASA-N 0 3 399.466 3.791 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000568377261 897794623 /nfs/dbraw/zinc/79/46/23/897794623.db2.gz IPFBJIYASWKARO-OAQYLSRUSA-N 0 3 398.507 3.644 20 5 GHBDHN CCOC(=O)c1ccn(-c2cccc(CNCc3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000569625589 898834480 /nfs/dbraw/zinc/83/44/80/898834480.db2.gz JKWUOKLSZQXBRN-UHFFFAOYSA-N 0 3 394.431 3.555 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(N)c2F)N(C)C)cc1 ZINC000570716812 899528657 /nfs/dbraw/zinc/52/86/57/899528657.db2.gz NOSPRHDPVWZLPX-KRWDZBQOSA-N 0 3 376.432 3.818 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134156604 899666989 /nfs/dbraw/zinc/66/69/89/899666989.db2.gz UXHHZLKGRRIJRK-CVEARBPZSA-N 0 3 393.484 3.599 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000843897823 900301917 /nfs/dbraw/zinc/30/19/17/900301917.db2.gz QRNQARLPAOVNNC-KRWDZBQOSA-N 0 3 391.468 3.797 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000843897824 900301992 /nfs/dbraw/zinc/30/19/92/900301992.db2.gz QRNQARLPAOVNNC-QGZVFWFLSA-N 0 3 391.468 3.797 20 5 GHBDHN CC(C)(C)OC(=O)NCCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000844442872 900866548 /nfs/dbraw/zinc/86/65/48/900866548.db2.gz PPIBBOCDZUZPSP-UHFFFAOYSA-N 0 3 393.484 3.600 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccncc1OC[C@H]1CCOC1 ZINC000574432292 900890693 /nfs/dbraw/zinc/89/06/93/900890693.db2.gz NLVLDZMZZUOSRZ-VUZIPCMWSA-N 0 3 383.448 3.598 20 5 GHBDHN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCN(C)CC1 ZINC000122503084 901788095 /nfs/dbraw/zinc/78/80/95/901788095.db2.gz XATXHTMDLAHDFH-UHFFFAOYSA-N 0 3 398.301 3.550 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000576773856 902251278 /nfs/dbraw/zinc/25/12/78/902251278.db2.gz RHXNCFRBDTXFSY-AEFFLSMTSA-N 0 3 381.476 3.652 20 5 GHBDHN CCOC(=O)Nc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872371 902473738 /nfs/dbraw/zinc/47/37/38/902473738.db2.gz HOQXYMBKVZAERR-SJKOYZFVSA-N 0 3 390.367 3.957 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872475 902473902 /nfs/dbraw/zinc/47/39/02/902473902.db2.gz IFUPRVMJPOSRDA-KZULUSFZSA-N 0 3 386.379 3.738 20 5 GHBDHN COc1cc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc(OC)c1 ZINC000845873791 902474930 /nfs/dbraw/zinc/47/49/30/902474930.db2.gz WCVOCDMHDLRACE-ZUOKHONESA-N 0 3 391.395 3.725 20 5 GHBDHN CC([C@H](OC(=O)CCc1nc(C2CCCC2)no1)c1ccccc1F)[N+](=O)[O-] ZINC000845873317 902475142 /nfs/dbraw/zinc/47/51/42/902475142.db2.gz CIKWIXBKTCXMNC-SGTLLEGYSA-N 0 3 391.399 3.749 20 5 GHBDHN CC([C@@H](OC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874283 902478238 /nfs/dbraw/zinc/47/82/38/902478238.db2.gz GXSGJJAUCRDYQM-PJIJBLCYSA-N 0 3 387.411 3.630 20 5 GHBDHN CC([C@H](OC(=O)CCCc1nc(C(C)(C)C)no1)c1ccccc1F)[N+](=O)[O-] ZINC000845879589 902482563 /nfs/dbraw/zinc/48/25/63/902482563.db2.gz YAAWHMPTZDBPDC-PXAZEXFGSA-N 0 3 393.415 3.779 20 5 GHBDHN O=C(c1cccc(CN2CCCCC2)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577160293 902552238 /nfs/dbraw/zinc/55/22/38/902552238.db2.gz YNQGLBPAMDKUKY-UHFFFAOYSA-N 0 3 379.460 3.779 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC(c4cn[nH]c4)CC3)o2)c([N+](=O)[O-])c1 ZINC000511477577 904520472 /nfs/dbraw/zinc/52/04/72/904520472.db2.gz MBGWQYGDIQLGAX-UHFFFAOYSA-N 0 3 382.420 3.966 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N[C@H]3COc4ccc(F)cc43)CC2)c(F)c1 ZINC001173007286 906082357 /nfs/dbraw/zinc/08/23/57/906082357.db2.gz HSYDRMFSDNPIMV-KRWDZBQOSA-N 0 3 393.365 3.704 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](CO)c2ccc(Cl)cc2)c1F ZINC001173192806 906275029 /nfs/dbraw/zinc/27/50/29/906275029.db2.gz REKDWSGWSXZMLG-IAQYHMDHSA-N 0 3 382.819 3.650 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001173236669 906346509 /nfs/dbraw/zinc/34/65/09/906346509.db2.gz DSCBAMUWZGRLQE-DNVCBOLYSA-N 0 3 385.439 3.559 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000246210048 910172104 /nfs/dbraw/zinc/17/21/04/910172104.db2.gz CAYHKMPFIHHSQW-NHCUHLMSSA-N 0 3 398.484 3.926 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000246225846 910193211 /nfs/dbraw/zinc/19/32/11/910193211.db2.gz FGXCNZCABKTGSC-CRAIPNDOSA-N 0 3 387.505 3.843 20 5 GHBDHN O=C1CCCN1[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093278078 912151033 /nfs/dbraw/zinc/15/10/33/912151033.db2.gz RAXGMDSHPBAAHR-OAHLLOKOSA-N 0 3 385.489 3.910 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC ZINC000775078811 914977403 /nfs/dbraw/zinc/97/74/03/914977403.db2.gz PQAWYMBLYWGLMF-INIZCTEOSA-N 0 3 387.436 3.682 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1Cc1ccccc1Cl ZINC001190541324 917398393 /nfs/dbraw/zinc/39/83/93/917398393.db2.gz OYYISLNWGAKMTK-SJORKVTESA-N 0 3 390.867 3.695 20 5 GHBDHN COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000775445039 917842460 /nfs/dbraw/zinc/84/24/60/917842460.db2.gz ZWGXUSXBUOGYPJ-DLBZAZTESA-N 0 3 384.354 3.624 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000364098333 919145408 /nfs/dbraw/zinc/14/54/08/919145408.db2.gz FAJDGBOBDFMFBI-GTNSWQLSSA-N 0 3 395.431 3.747 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([C@H](O)c4ncc[nH]4)CC3)s2)cc1 ZINC000369145810 923150261 /nfs/dbraw/zinc/15/02/61/923150261.db2.gz SXASDUWCRWJWIW-IBGZPJMESA-N 0 3 398.488 3.992 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000411655272 926597981 /nfs/dbraw/zinc/59/79/81/926597981.db2.gz JONFLTXCXDDTEC-MRXNPFEDSA-N 0 3 377.828 3.554 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000469451911 929906159 /nfs/dbraw/zinc/90/61/59/929906159.db2.gz HICFDDGTPULBNO-AWEZNQCLSA-N 0 3 389.402 4.000 20 5 GHBDHN CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000470140470 930399967 /nfs/dbraw/zinc/39/99/67/930399967.db2.gz KBQPKVFCMUVZBG-SFHVURJKSA-N 0 3 386.427 3.862 20 5 GHBDHN CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546904778 930521342 /nfs/dbraw/zinc/52/13/42/930521342.db2.gz DGCANQKQFDVMDN-SFHVURJKSA-N 0 3 392.459 3.813 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000547347963 930938923 /nfs/dbraw/zinc/93/89/23/930938923.db2.gz GQCPOLJHWOIJBV-UHFFFAOYSA-N 0 3 392.843 3.640 20 5 GHBDHN COC(=O)N1CCC(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000797097089 932181524 /nfs/dbraw/zinc/18/15/24/932181524.db2.gz OXCNPJVYHLQZMV-HXUWFJFHSA-N 0 3 383.448 3.752 20 5 GHBDHN Cc1c(CC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000558973394 932347625 /nfs/dbraw/zinc/34/76/25/932347625.db2.gz RHCYZJKXWRIEGJ-KRWDZBQOSA-N 0 3 375.856 3.518 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2cc(C(F)(F)F)ccn2)c1 ZINC000559330810 932605407 /nfs/dbraw/zinc/60/54/07/932605407.db2.gz REWMBADJYUXIFU-UHFFFAOYSA-N 0 3 391.296 3.942 20 5 GHBDHN CN(CCCN(C)Cc1ccco1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000560541235 933326692 /nfs/dbraw/zinc/32/66/92/933326692.db2.gz BFZCKJKXPNHGIS-UHFFFAOYSA-N 0 3 384.436 3.797 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000777806472 933544450 /nfs/dbraw/zinc/54/44/50/933544450.db2.gz AKSLAUGXBHODKR-PKOBYXMFSA-N 0 3 399.495 3.674 20 5 GHBDHN CC[C@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)c1ccco1 ZINC000561359010 934079746 /nfs/dbraw/zinc/07/97/46/934079746.db2.gz RYKLXSNSDSKHAO-JQWIXIFHSA-N 0 3 397.273 3.617 20 5 GHBDHN COc1cccc([C@H]2[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000778010250 934621287 /nfs/dbraw/zinc/62/12/87/934621287.db2.gz PFROZBNQJDPOGX-HKUYNNGSSA-N 0 3 393.447 3.641 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544850931 1015102815 /nfs/dbraw/zinc/10/28/15/1015102815.db2.gz GXTHWNCRQFDRDT-KRWDZBQOSA-N 0 3 387.867 3.985 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000468618098 1015849749 /nfs/dbraw/zinc/84/97/49/1015849749.db2.gz JUBVKXYKQDRIFI-ODDCISTRSA-N 0 3 387.386 3.671 20 5 GHBDHN CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546893575 1016763277 /nfs/dbraw/zinc/76/32/77/1016763277.db2.gz WTEFCHWINKZQMH-APWZRJJASA-N 0 3 399.466 3.960 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001226890276 1032179262 /nfs/dbraw/zinc/17/92/62/1032179262.db2.gz MESXDSWDZLITLV-HXUWFJFHSA-N 0 3 398.507 3.593 20 5 GHBDHN COc1ccc(NC(=O)CN[C@@H](CC(C)C)c2cccs2)c([N+](=O)[O-])c1 ZINC000578174644 1020338361 /nfs/dbraw/zinc/33/83/61/1020338361.db2.gz DSGGZYZTOGPEOV-HNNXBMFYSA-N 0 3 377.466 3.980 20 5 GHBDHN COc1ccc(CN2CCCC[C@H]2CN(C)c2ncc([N+](=O)[O-])cc2C)cc1 ZINC001156292546 1032960835 /nfs/dbraw/zinc/96/08/35/1032960835.db2.gz OEHVORNFOBVSLA-SFHVURJKSA-N 0 3 384.480 3.798 20 5 GHBDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000754871174 1022942212 /nfs/dbraw/zinc/94/22/12/1022942212.db2.gz ZVGCQFQEKTXVJO-UHFFFAOYSA-N 0 3 387.436 3.946 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001204952517 1033182336 /nfs/dbraw/zinc/18/23/36/1033182336.db2.gz DTWCTHHTSJSWSX-CABCVRRESA-N 0 3 393.484 3.729 20 5 GHBDHN COc1ccc(OC)c([C@@H](O)CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000831539722 1024630184 /nfs/dbraw/zinc/63/01/84/1024630184.db2.gz VKJNVHVSESSOKV-UZLBHIALSA-N 0 3 386.448 3.525 20 5 GHBDHN COc1ccc([C@@H](CO)CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000839184881 1025696486 /nfs/dbraw/zinc/69/64/86/1025696486.db2.gz LXGISYYCKJPTPN-CYBMUJFWSA-N 0 3 385.247 3.776 20 5 GHBDHN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CCN(CC4CCCCC4)CC3)c2c1 ZINC001162308141 1025709407 /nfs/dbraw/zinc/70/94/07/1025709407.db2.gz PFYBIEMPVUIACG-UHFFFAOYSA-N 0 3 399.451 3.754 20 5 GHBDHN C[C@H](N)c1nc2ccccc2n1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001162766551 1025911523 /nfs/dbraw/zinc/91/15/23/1025911523.db2.gz PGMYJNDDGJJJKQ-LBPRGKRZSA-N 0 3 376.376 3.536 20 5 GHBDHN CN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1Cc1ccccc1 ZINC001163260849 1026110775 /nfs/dbraw/zinc/11/07/75/1026110775.db2.gz UEJWYTKXWYPPPD-MRXNPFEDSA-N 0 3 377.391 3.559 20 5 GHBDHN CCN1CCN(c2ccc(Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)CC1 ZINC001211294635 1027895647 /nfs/dbraw/zinc/89/56/47/1027895647.db2.gz ALBQJVJTTHMQIB-UHFFFAOYSA-N 0 3 385.424 3.697 20 5 GHBDHN O=[N+]([O-])c1cccc2sc(-c3nc(-c4ccc5c(n4)CCNC5)no3)cc21 ZINC001217508438 1030449879 /nfs/dbraw/zinc/44/98/79/1030449879.db2.gz MGKMTQNOWYDURL-UHFFFAOYSA-N 0 3 379.401 3.567 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCOC2CCOCC2)cc1[N+](=O)[O-] ZINC001461776347 1069740664 /nfs/dbraw/zinc/74/06/64/1069740664.db2.gz RVIRTHDTOZXORB-UHFFFAOYSA-N 0 3 385.464 3.648 20 5 GHBDHN COc1cc(CN[C@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461815215 1069765547 /nfs/dbraw/zinc/76/55/47/1069765547.db2.gz UZFMLGFXZMGOOC-OALUTQOASA-N 0 3 398.459 3.697 20 5 GHBDHN Cc1cc(=O)oc2c1ccc(O[C@@H]1CCN(Cc3ccccc3)C1)c2[N+](=O)[O-] ZINC001229941395 1033804761 /nfs/dbraw/zinc/80/47/61/1033804761.db2.gz ABWCRWPHZDDYHT-MRXNPFEDSA-N 0 3 380.400 3.663 20 5 GHBDHN O=[N+]([O-])c1cccc2cc(OC[C@@H]3CN(Cc4ccccc4)CCCO3)cnc21 ZINC001231157045 1034432519 /nfs/dbraw/zinc/43/25/19/1034432519.db2.gz YDHPNDPVLCGYJH-FQEVSTJZSA-N 0 3 393.443 3.813 20 5 GHBDHN CC(C)(C)OC(=O)N[C@H]1[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232221416 1035169143 /nfs/dbraw/zinc/16/91/43/1035169143.db2.gz YKVBZYVVGIPFRZ-RMFSNUHRSA-N 0 3 390.487 3.738 20 5 GHBDHN O=C1OC2(CCN(Cc3ccc4ccc5cccnc5c4n3)CC2)c2cccnc21 ZINC001232222389 1035169836 /nfs/dbraw/zinc/16/98/36/1035169836.db2.gz BLSLUKBEXLVXQG-UHFFFAOYSA-N 0 3 396.450 3.840 20 5 GHBDHN O=[N+]([O-])c1cnc(Cl)nc1NCC1CCN(Cc2ccccc2F)CC1 ZINC001161193639 1035175116 /nfs/dbraw/zinc/17/51/16/1035175116.db2.gz VJBOEEYTCBQGLM-UHFFFAOYSA-N 0 3 379.823 3.501 20 5 GHBDHN CCOc1cc(N2CCN(C[C@H]3CCc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001462184559 1070063275 /nfs/dbraw/zinc/06/32/75/1070063275.db2.gz GMFCBAXOTJENIW-GOSISDBHSA-N 0 3 381.476 3.846 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCN[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810338 1037644341 /nfs/dbraw/zinc/64/43/41/1037644341.db2.gz KNFXOHKMUYEING-LIRRHRJNSA-N 0 3 389.883 3.834 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001254552507 1040320762 /nfs/dbraw/zinc/32/07/62/1040320762.db2.gz MTIMAZNELUUNTN-SUMDDJOVSA-N 0 3 389.496 3.857 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001254554662 1040324859 /nfs/dbraw/zinc/32/48/59/1040324859.db2.gz DAEJSCAUXHJDJL-MAODMQOUSA-N 0 3 379.460 3.796 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001254570900 1040347962 /nfs/dbraw/zinc/34/79/62/1040347962.db2.gz QPBVXQUUTQEGSN-MRXNPFEDSA-N 0 3 382.464 3.812 20 5 GHBDHN Cc1ccc(CN2CCO[C@H](CNCc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 ZINC001462514876 1070318290 /nfs/dbraw/zinc/31/82/90/1070318290.db2.gz HSDXQOGZGSIUAK-GOSISDBHSA-N 0 3 389.883 3.547 20 5 GHBDHN COc1cc(N2CCC(NC3(c4ccccc4F)CC3)CC2)ccc1[N+](=O)[O-] ZINC001256089770 1041519417 /nfs/dbraw/zinc/51/94/17/1041519417.db2.gz ILCLPLIKRYIOSG-UHFFFAOYSA-N 0 3 385.439 3.990 20 5 GHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CCCCC2)CC1 ZINC001292282733 1043663635 /nfs/dbraw/zinc/66/36/35/1043663635.db2.gz OKMOHNGKBTZSGE-UHFFFAOYSA-N 0 3 388.512 3.511 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001301866780 1046736099 /nfs/dbraw/zinc/73/60/99/1046736099.db2.gz DCYCNZOLEYHEIH-VTYRTOMDSA-N 0 3 379.460 3.635 20 5 GHBDHN C[C@H]1CN(CCCCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001307068274 1049051088 /nfs/dbraw/zinc/05/10/88/1049051088.db2.gz FFQGTHFPORJFPS-STQMWFEESA-N 0 3 375.391 3.915 20 5 GHBDHN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001308305589 1049944418 /nfs/dbraw/zinc/94/44/18/1049944418.db2.gz GCDAZQSXKVUVPU-RBBKRZOGSA-N 0 3 383.492 3.672 20 5 GHBDHN CCC[C@H](O)[C@H](CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001308432907 1049974949 /nfs/dbraw/zinc/97/49/49/1049974949.db2.gz DJPGMASBHNQYAE-RDJZCZTQSA-N 0 3 394.855 3.652 20 5 GHBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001452645001 1060977505 /nfs/dbraw/zinc/97/75/05/1060977505.db2.gz KZAWODIPKRDGKM-NWDGAFQWSA-N 0 3 390.242 3.787 20 5 GHBDHN CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC001455288930 1062092798 /nfs/dbraw/zinc/09/27/98/1062092798.db2.gz LTBJRQBXHICJRZ-KRWDZBQOSA-N 0 3 399.495 3.568 20 5 GHBDHN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC001455288930 1062092816 /nfs/dbraw/zinc/09/28/16/1062092816.db2.gz LTBJRQBXHICJRZ-KRWDZBQOSA-N 0 3 399.495 3.568 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)cnc1NCCCCN1CCN(c2ccccc2)CC1 ZINC001458113446 1063575988 /nfs/dbraw/zinc/57/59/88/1063575988.db2.gz MZBIHBUFHBLKIJ-UHFFFAOYSA-N 0 3 389.887 3.658 20 5 GHBDHN CC(C)C1CCC(N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)CC1 ZINC001458227465 1063675812 /nfs/dbraw/zinc/67/58/12/1063675812.db2.gz CHXSMCUYWRPDAC-UHFFFAOYSA-N 0 3 377.514 3.641 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(CC3CC3)CC2)cc1OC ZINC001459318232 1064061143 /nfs/dbraw/zinc/06/11/43/1064061143.db2.gz OECCGDGGJLROMY-INIZCTEOSA-N 0 3 391.512 3.556 20 5 GHBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC001460060547 1064386046 /nfs/dbraw/zinc/38/60/46/1064386046.db2.gz CPZUUDFXGVWJOW-SJORKVTESA-N 0 3 375.469 3.559 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2)CC1 ZINC001351631623 1064541306 /nfs/dbraw/zinc/54/13/06/1064541306.db2.gz SVDIMRJZVBDRNH-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(OCC(F)(F)F)o1)c1ccccc1F)[N+](=O)[O-] ZINC000847737213 1065995763 /nfs/dbraw/zinc/99/57/63/1065995763.db2.gz LXECPNGFUOKQCJ-OTYXRUKQSA-N 0 3 391.273 3.923 20 5 GHBDHN COc1ccc(CN[C@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC001200411994 1066131189 /nfs/dbraw/zinc/13/11/89/1066131189.db2.gz KQXSTYKGIZRVJO-HNNXBMFYSA-N 0 3 381.473 3.632 20 5 GHBDHN CCOc1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001473549435 1067566202 /nfs/dbraw/zinc/56/62/02/1067566202.db2.gz DWSAHTDLHPZXNT-KRWDZBQOSA-N 0 3 393.484 3.871 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1Cc1ccccc1F ZINC001460359472 1068940745 /nfs/dbraw/zinc/94/07/45/1068940745.db2.gz YQGPVGSWNWACDC-MSOLQXFVSA-N 0 3 388.439 3.571 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001470712358 1072699048 /nfs/dbraw/zinc/69/90/48/1072699048.db2.gz CFMUHBYEJAMGOB-NHCUHLMSSA-N 0 3 395.503 3.863 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001470780595 1072736950 /nfs/dbraw/zinc/73/69/50/1072736950.db2.gz TWTNYLMFZRDJCL-ZIPUMODLSA-N 0 3 393.487 3.725 20 5 GHBDHN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001472831826 1073686031 /nfs/dbraw/zinc/68/60/31/1073686031.db2.gz UHLGUSJUOHFUDV-FQEVSTJZSA-N 0 3 384.436 3.850 20 5 GHBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCCc2ccccc21 ZINC001473342958 1073928466 /nfs/dbraw/zinc/92/84/66/1073928466.db2.gz HYXFHLHEUVPTLO-UHFFFAOYSA-N 0 3 379.460 3.929 20 5 GHBDHN O=C(NC1CCCC1)OC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC001473526309 1074002390 /nfs/dbraw/zinc/00/23/90/1074002390.db2.gz OKOFRNASIOGPEE-LJQANCHMSA-N 0 3 375.469 3.661 20 5 GHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001473542865 1074011227 /nfs/dbraw/zinc/01/12/27/1074011227.db2.gz RXLIVEGSUHPICR-OAUYIBNBSA-N 0 3 393.484 3.502 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Cc3cccc(F)c3F)CC2)c1 ZINC001473543548 1074011401 /nfs/dbraw/zinc/01/14/01/1074011401.db2.gz NPQMGDXJLDXFHL-LJQANCHMSA-N 0 3 376.403 3.861 20 5 GHBDHN COc1cc(OC)c(OC)cc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474088522 1074259618 /nfs/dbraw/zinc/25/96/18/1074259618.db2.gz IENNCPOFLKRASO-UHFFFAOYSA-N 0 3 380.828 3.606 20 5 GHBDHN COc1ccc(C[C@@](C)(CO)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC001620624472 1126241656 /nfs/dbraw/zinc/24/16/56/1126241656.db2.gz YHPBIVPOFXOXRK-SFHVURJKSA-N 0 3 399.274 3.994 20 5 GHBDHN Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164728518 720354612 /nfs/dbraw/zinc/35/46/12/720354612.db2.gz VYTZQSUTCFXIRU-SFTDATJTSA-N 0 3 389.459 3.700 20 5 GHBDHN O=C(NCC1CC1)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000179342515 835537275 /nfs/dbraw/zinc/53/72/75/835537275.db2.gz XVJARKABMAKFNV-INIZCTEOSA-N 0 3 383.448 3.593 20 5 GHBDHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000127109478 835805058 /nfs/dbraw/zinc/80/50/58/835805058.db2.gz KMZCKCCIOHDPEC-HXUWFJFHSA-N 0 3 396.447 3.534 20 5 GHBDHN CC1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000179724881 835961621 /nfs/dbraw/zinc/96/16/21/835961621.db2.gz RQUAGLXTVVIGJN-UHFFFAOYSA-N 0 3 395.253 3.964 20 5 GHBDHN CC[C@H](CSc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582482180 836285431 /nfs/dbraw/zinc/28/54/31/836285431.db2.gz WSIPAGXPKDSXDH-OAHLLOKOSA-N 0 3 394.518 3.529 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000161680828 837188221 /nfs/dbraw/zinc/18/82/21/837188221.db2.gz AYZMJDLGALCVRS-UHFFFAOYSA-N 0 3 378.226 3.671 20 5 GHBDHN CCOc1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000536220513 837202269 /nfs/dbraw/zinc/20/22/69/837202269.db2.gz OMOVJXYUXZZOEX-UHFFFAOYSA-N 0 3 387.436 3.624 20 5 GHBDHN Cc1sc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000247213040 837311170 /nfs/dbraw/zinc/31/11/70/837311170.db2.gz CHJGGBPBEBPIMC-BLLLJJGKSA-N 0 3 379.507 3.839 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000129035683 844310497 /nfs/dbraw/zinc/31/04/97/844310497.db2.gz SVFHGFKPFLBPPT-UHFFFAOYSA-N 0 3 396.491 3.520 20 5 GHBDHN O=[N+]([O-])c1cnn(CCN2CCC(COc3ccccc3C(F)(F)F)CC2)c1 ZINC000187841891 838365536 /nfs/dbraw/zinc/36/55/36/838365536.db2.gz UXJJFTIFFVOINZ-UHFFFAOYSA-N 0 3 398.385 3.601 20 5 GHBDHN CN(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000412332445 838731053 /nfs/dbraw/zinc/73/10/53/838731053.db2.gz PCYZAYAUEGHQGT-IPMKNSEASA-N 0 3 387.867 3.771 20 5 GHBDHN CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000121179365 838999259 /nfs/dbraw/zinc/99/92/59/838999259.db2.gz VDJXXWHBDJVLFC-MJGOQNOKSA-N 0 3 395.459 3.750 20 5 GHBDHN CC(C)(NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000431882567 839357046 /nfs/dbraw/zinc/35/70/46/839357046.db2.gz MQIOZDUUCZQOQQ-HXUWFJFHSA-N 0 3 396.491 3.966 20 5 GHBDHN COc1ccc(OCCN2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000175852510 840161447 /nfs/dbraw/zinc/16/14/47/840161447.db2.gz SHJCIZGZCQEJMP-PBHICJAKSA-N 0 3 392.477 3.632 20 5 GHBDHN CN(C(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000511856477 840969813 /nfs/dbraw/zinc/96/98/13/840969813.db2.gz XNPDSDQTHHGLHC-NJYVYQBISA-N 0 3 379.460 3.826 20 5 GHBDHN CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000500099248 841433438 /nfs/dbraw/zinc/43/34/38/841433438.db2.gz OVWMHSBVDCTLAO-ZDUSSCGKSA-N 0 3 376.482 3.944 20 5 GHBDHN CC1(C)C[C@H](NCc2ccc(Cn3cncn3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279102576 842592582 /nfs/dbraw/zinc/59/25/82/842592582.db2.gz OMNYDSGHOMEOMV-FQEVSTJZSA-N 0 3 377.448 3.747 20 5 GHBDHN CC(C)NC(=O)c1ccc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302835188 861381442 /nfs/dbraw/zinc/38/14/42/861381442.db2.gz UVUNVRASBLWVNK-AZUAARDMSA-N 0 3 382.464 3.590 20 5 GHBDHN CCOc1ccc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000056168702 861443065 /nfs/dbraw/zinc/44/30/65/861443065.db2.gz BOLMLLIUZZJAMT-YJBOKZPZSA-N 0 3 383.448 3.559 20 5 GHBDHN O=C1CCC[C@H](CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000433197930 843817792 /nfs/dbraw/zinc/81/77/92/843817792.db2.gz UYBRLIHESDANOH-CQSZACIVSA-N 0 3 389.839 3.799 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000513392806 845347201 /nfs/dbraw/zinc/34/72/01/845347201.db2.gz YCMDTAACORIOFV-SJLPKXTDSA-N 0 3 390.867 3.695 20 5 GHBDHN CC[C@@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000119520170 845482460 /nfs/dbraw/zinc/48/24/60/845482460.db2.gz SNXKWBJNWMOUEB-PZJWPPBQSA-N 0 3 381.476 3.869 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000182615749 845498710 /nfs/dbraw/zinc/49/87/10/845498710.db2.gz NTJXKSDLFRUCSH-KRWDZBQOSA-N 0 3 381.476 3.993 20 5 GHBDHN O=C(Nc1ccccc1)N1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000511027901 845718186 /nfs/dbraw/zinc/71/81/86/845718186.db2.gz JQCPLLMSTYXZIM-YLJYHZDGSA-N 0 3 380.448 3.868 20 5 GHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000421699823 846506757 /nfs/dbraw/zinc/50/67/57/846506757.db2.gz BZOSHPWNKITDRO-MRXNPFEDSA-N 0 3 399.447 3.562 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000511091525 846630726 /nfs/dbraw/zinc/63/07/26/846630726.db2.gz LYJPZLNCZYEFOZ-UGKGYDQZSA-N 0 3 384.476 3.524 20 5 GHBDHN CC[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)N1CCc2ccccc2C1 ZINC000501347001 846859250 /nfs/dbraw/zinc/85/92/50/846859250.db2.gz KHEDDZXNBREGAE-QGZVFWFLSA-N 0 3 398.463 3.562 20 5 GHBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830941 861756905 /nfs/dbraw/zinc/75/69/05/861756905.db2.gz GBWNQAGSJUTGMV-UHFFFAOYSA-N 0 3 399.476 3.800 20 5 GHBDHN COc1cc(CNC(C)(C)COc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-] ZINC000502215484 847617483 /nfs/dbraw/zinc/61/74/83/847617483.db2.gz HSKJDPPALNTOPL-UHFFFAOYSA-N 0 3 399.369 3.964 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CC(F)F)c1ccccc1 ZINC000421001527 847623693 /nfs/dbraw/zinc/62/36/93/847623693.db2.gz XGPWNPZDWMRVSC-OAHLLOKOSA-N 0 3 393.390 3.918 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 ZINC000504024257 849839186 /nfs/dbraw/zinc/83/91/86/849839186.db2.gz ZSJZCAJNYURFNV-UHFFFAOYSA-N 0 3 387.461 3.915 20 5 GHBDHN C[C@@H](c1ccncc1)N1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000425245521 849898904 /nfs/dbraw/zinc/89/89/04/849898904.db2.gz WOYXQCWKSKDOJO-HNNXBMFYSA-N 0 3 377.448 3.597 20 5 GHBDHN C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000057398826 862073337 /nfs/dbraw/zinc/07/33/37/862073337.db2.gz FOLBIMJENGROOM-JXFKEZNVSA-N 0 3 382.464 3.792 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481703529 862079323 /nfs/dbraw/zinc/07/93/23/862079323.db2.gz LABWUSGQUOBJSU-QFIPXVFZSA-N 0 3 395.459 3.753 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000439650072 850226763 /nfs/dbraw/zinc/22/67/63/850226763.db2.gz QGYYIZGCBSPAHY-ZTFGCOKTSA-N 0 3 375.469 3.558 20 5 GHBDHN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(C1CC1)C1CC1 ZINC000435326452 850358479 /nfs/dbraw/zinc/35/84/79/850358479.db2.gz CZJLCKCUIMBHBK-UHFFFAOYSA-N 0 3 386.477 3.777 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000487085184 850437978 /nfs/dbraw/zinc/43/79/78/850437978.db2.gz HPNZNWRVDXPBEQ-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN Cc1c(NC(=O)CCN2CCC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000481729052 862140182 /nfs/dbraw/zinc/14/01/82/862140182.db2.gz VRWGXRKSKIRSAG-JOCHJYFZSA-N 0 3 395.459 3.753 20 5 GHBDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000435738825 850825618 /nfs/dbraw/zinc/82/56/18/850825618.db2.gz CRLRDIWVVLKAPI-RTBURBONSA-N 0 3 378.469 3.925 20 5 GHBDHN COc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000543887816 852314448 /nfs/dbraw/zinc/31/44/48/852314448.db2.gz IWMYWJIZVIXTNV-SFHVURJKSA-N 0 3 384.436 3.562 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000489672228 852522761 /nfs/dbraw/zinc/52/27/61/852522761.db2.gz AXBSBZBKYRKPAV-FQEVSTJZSA-N 0 3 399.516 3.949 20 5 GHBDHN Cc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000507099975 852557594 /nfs/dbraw/zinc/55/75/94/852557594.db2.gz DARYTVJYFUEUSF-UHFFFAOYSA-N 0 3 381.476 3.684 20 5 GHBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1OCc1ccccc1 ZINC000517048218 853305922 /nfs/dbraw/zinc/30/59/22/853305922.db2.gz NLXFVMNSJBCYFI-RTBURBONSA-N 0 3 383.448 3.507 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000517076691 853346711 /nfs/dbraw/zinc/34/67/11/853346711.db2.gz MNRKKHZPBCWLNX-OAHLLOKOSA-N 0 3 379.526 3.947 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000556040522 862473528 /nfs/dbraw/zinc/47/35/28/862473528.db2.gz JBNWNOBNWQQVGV-UHFFFAOYSA-N 0 3 399.882 3.879 20 5 GHBDHN CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760656404 853670169 /nfs/dbraw/zinc/67/01/69/853670169.db2.gz ULPWLIKYBRKGAX-QGZVFWFLSA-N 0 3 387.867 3.985 20 5 GHBDHN Cc1ccc([C@@H](C)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000156799179 854335531 /nfs/dbraw/zinc/33/55/31/854335531.db2.gz VGGXVJFIVOFNFJ-SJKOYZFVSA-N 0 3 392.839 3.712 20 5 GHBDHN Cc1ccc(Sc2ccc(C(=O)N3CC[C@H]4CN(C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000590447072 855423628 /nfs/dbraw/zinc/42/36/28/855423628.db2.gz YBEBAUBSCWAZDW-QFBILLFUSA-N 0 3 397.500 3.831 20 5 GHBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000590447112 855424425 /nfs/dbraw/zinc/42/44/25/855424425.db2.gz YHZHURSNVARJPO-KXBFYZLASA-N 0 3 383.473 3.522 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000591026173 855746054 /nfs/dbraw/zinc/74/60/54/855746054.db2.gz CMETWPPPEMQZBR-VXGBXAGGSA-N 0 3 389.374 3.595 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3ccc4c(c3)CCO4)cs2)c1 ZINC000172015456 856321077 /nfs/dbraw/zinc/32/10/77/856321077.db2.gz AAEUFVZZMZISPL-UHFFFAOYSA-N 0 3 381.457 3.986 20 5 GHBDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845442 856343187 /nfs/dbraw/zinc/34/31/87/856343187.db2.gz SROKZZKTDQDOCH-LRDDRELGSA-N 0 3 379.254 3.612 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000043149392 856487709 /nfs/dbraw/zinc/48/77/09/856487709.db2.gz BXSRMSHUMDBLQE-UHFFFAOYSA-N 0 3 382.464 3.951 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2cccc(-n3cccn3)c2)cccc1[N+](=O)[O-] ZINC000173210089 856809448 /nfs/dbraw/zinc/80/94/48/856809448.db2.gz XCTSBCVFQQWKTP-CVEARBPZSA-N 0 3 393.447 3.767 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173350540 856877349 /nfs/dbraw/zinc/87/73/49/856877349.db2.gz NFEIDICUDFFUKA-MLGOLLRUSA-N 0 3 384.354 3.704 20 5 GHBDHN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592695300 857027938 /nfs/dbraw/zinc/02/79/38/857027938.db2.gz YJEMFDIKUBCDGK-SFHVURJKSA-N 0 3 385.439 3.859 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1nc(C(F)(F)F)cs1 ZINC000595027186 858372614 /nfs/dbraw/zinc/37/26/14/858372614.db2.gz QPPMFESTYARYMM-VIFPVBQESA-N 0 3 375.372 3.972 20 5 GHBDHN C/C=C\c1ccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000255918719 858381732 /nfs/dbraw/zinc/38/17/32/858381732.db2.gz OXBIVQZBHGUMMY-ZPLHCQJQSA-N 0 3 386.448 3.727 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(F)ccc2OC(F)F)n1 ZINC000595092962 858418084 /nfs/dbraw/zinc/41/80/84/858418084.db2.gz BXGNGHHSJVZTAY-KBPBESRZSA-N 0 3 384.358 3.805 20 5 GHBDHN Cn1nccc1[C@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281437119 863037490 /nfs/dbraw/zinc/03/74/90/863037490.db2.gz PPNCUIISZIMLIQ-GOSISDBHSA-N 0 3 381.436 3.753 20 5 GHBDHN COc1ccc(C[C@@H](C)N[C@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC001170326111 881362944 /nfs/dbraw/zinc/36/29/44/881362944.db2.gz DWOIVVLEDYLJKS-BDJLRTHQSA-N 0 3 382.819 3.650 20 5 GHBDHN COc1ccc(C[C@H](C)NCc2cn(Cc3cccc(F)c3)cn2)c([N+](=O)[O-])c1 ZINC001170325377 881361427 /nfs/dbraw/zinc/36/14/27/881361427.db2.gz UHYKPTUOPJLGJW-HNNXBMFYSA-N 0 3 398.438 3.708 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN(CCCO)C3CC3)o2)c(Br)c1 ZINC000611271615 859675731 /nfs/dbraw/zinc/67/57/31/859675731.db2.gz SGVWILCWCVURAR-UHFFFAOYSA-N 0 3 395.253 3.964 20 5 GHBDHN COCC[C@@H](CO)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000466477715 859679329 /nfs/dbraw/zinc/67/93/29/859679329.db2.gz QKMDQCVWROQPTR-INIZCTEOSA-N 0 3 376.478 3.541 20 5 GHBDHN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543429103 859685805 /nfs/dbraw/zinc/68/58/05/859685805.db2.gz HUZIDECHLOFLDY-KGLIPLIRSA-N 0 3 394.518 3.941 20 5 GHBDHN Cc1c(Br)c(N2CCC[C@@H](N3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000543449097 859753810 /nfs/dbraw/zinc/75/38/10/859753810.db2.gz BALRHLVUNCNNPT-MBNYWOFBSA-N 0 3 397.317 3.902 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)nc1 ZINC000128905541 860101707 /nfs/dbraw/zinc/10/17/07/860101707.db2.gz QLEUFYTZYOQKPJ-MRXNPFEDSA-N 0 3 398.854 3.720 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCc4cc(F)c(F)c(F)c43)CC2)cn1 ZINC000602682374 860215295 /nfs/dbraw/zinc/21/52/95/860215295.db2.gz DIEJWDAUCILBPO-HNNXBMFYSA-N 0 3 392.381 3.653 20 5 GHBDHN COCCN1CCC[C@@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000727827000 860281769 /nfs/dbraw/zinc/28/17/69/860281769.db2.gz PLFOUQOWHRVQNV-SNVBAGLBSA-N 0 3 381.782 3.790 20 5 GHBDHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000593673451 860784777 /nfs/dbraw/zinc/78/47/77/860784777.db2.gz YFVVISNYTYNTLV-JKSUJKDBSA-N 0 3 392.839 3.622 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000594020237 863761392 /nfs/dbraw/zinc/76/13/92/863761392.db2.gz DLYAYJDYBNMZHR-UHFFFAOYSA-N 0 3 378.432 3.796 20 5 GHBDHN Cc1ccc(Sc2ccc(CN[C@@H](C)C[S@@](C)=O)cc2[N+](=O)[O-])cc1 ZINC000184260037 864286195 /nfs/dbraw/zinc/28/61/95/864286195.db2.gz MQLORTBMBGQGBX-HWRSSNJWSA-N 0 3 378.519 3.911 20 5 GHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000129733850 864858744 /nfs/dbraw/zinc/85/87/44/864858744.db2.gz CSBPJKOWTXYXLP-NRFANRHFSA-N 0 3 392.459 3.572 20 5 GHBDHN CNc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000609017873 865893400 /nfs/dbraw/zinc/89/34/00/865893400.db2.gz JILDVWQYVWPRHC-LJQANCHMSA-N 0 3 382.464 3.594 20 5 GHBDHN COc1cc(CNCCN2CC=CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475488003 866022896 /nfs/dbraw/zinc/02/28/96/866022896.db2.gz TUVXGNCCPFZAPW-UHFFFAOYSA-N 0 3 397.475 3.534 20 5 GHBDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000183154125 866284642 /nfs/dbraw/zinc/28/46/42/866284642.db2.gz PZBYYQOEVRWPED-LSDHHAIUSA-N 0 3 393.447 3.767 20 5 GHBDHN CC(C)(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1 ZINC000065308425 866387644 /nfs/dbraw/zinc/38/76/44/866387644.db2.gz BCHMCERETMEXST-UHFFFAOYSA-N 0 3 388.493 3.713 20 5 GHBDHN Cn1nccc1[C@@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000857061435 881976605 /nfs/dbraw/zinc/97/66/05/881976605.db2.gz QPYMPJUDGFLQRO-NRFANRHFSA-N 0 3 396.447 3.534 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000456330412 866435334 /nfs/dbraw/zinc/43/53/34/866435334.db2.gz JKCPRFQASKJQOE-MRXNPFEDSA-N 0 3 392.459 3.670 20 5 GHBDHN Cn1nccc1[C@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000857061145 881976908 /nfs/dbraw/zinc/97/69/08/881976908.db2.gz KQBGGURSCAEGAT-OAQYLSRUSA-N 0 3 396.447 3.534 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000456338875 866451969 /nfs/dbraw/zinc/45/19/69/866451969.db2.gz OJRBKMPNGBKPCM-INIZCTEOSA-N 0 3 392.459 3.670 20 5 GHBDHN O=C(NC1CCN(C2CCC2)CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000456680619 866967037 /nfs/dbraw/zinc/96/70/37/866967037.db2.gz FMXOZNHDTLWEGY-UHFFFAOYSA-N 0 3 393.462 3.567 20 5 GHBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCCC2 ZINC000429776084 867319828 /nfs/dbraw/zinc/31/98/28/867319828.db2.gz RFFVSWBTNQMFBJ-IRXDYDNUSA-N 0 3 395.887 3.904 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000743278065 868024153 /nfs/dbraw/zinc/02/41/53/868024153.db2.gz KSBIDILFKDCNLP-QGZVFWFLSA-N 0 3 376.844 3.981 20 5 GHBDHN C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000553865646 868372239 /nfs/dbraw/zinc/37/22/39/868372239.db2.gz WDGZLCYVSLEFSP-MRXNPFEDSA-N 0 3 394.475 3.603 20 5 GHBDHN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000508854558 869350293 /nfs/dbraw/zinc/35/02/93/869350293.db2.gz SNSHYVQJCQTFRI-KXBFYZLASA-N 0 3 384.480 3.821 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000446127560 869412194 /nfs/dbraw/zinc/41/21/94/869412194.db2.gz SEXMXMUVEMKXBE-OAQYLSRUSA-N 0 3 381.476 3.789 20 5 GHBDHN C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000524885151 869730877 /nfs/dbraw/zinc/73/08/77/869730877.db2.gz KZKNAKLLAKEOJK-MSOLQXFVSA-N 0 3 396.491 3.962 20 5 GHBDHN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000462858212 870229856 /nfs/dbraw/zinc/22/98/56/870229856.db2.gz AGCKGUIEJIMDSG-QGZVFWFLSA-N 0 3 391.475 3.766 20 5 GHBDHN CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000525408853 870642059 /nfs/dbraw/zinc/64/20/59/870642059.db2.gz PYDKBALMZVKGMQ-CGTJXYLNSA-N 0 3 386.452 3.670 20 5 GHBDHN COCC[C@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000447079672 870960467 /nfs/dbraw/zinc/96/04/67/870960467.db2.gz QMCSEVHFUJPNLM-SFHVURJKSA-N 0 3 380.828 3.793 20 5 GHBDHN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC001193273545 870996796 /nfs/dbraw/zinc/99/67/96/870996796.db2.gz DVUIBVIDAYWZLG-SFHVURJKSA-N 0 3 399.516 3.683 20 5 GHBDHN COc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000195445022 882476839 /nfs/dbraw/zinc/47/68/39/882476839.db2.gz LAHHIRKXYXFESO-IBGZPJMESA-N 0 3 397.475 3.806 20 5 GHBDHN CCc1nn(C)c(OC)c1CN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000539040749 871157022 /nfs/dbraw/zinc/15/70/22/871157022.db2.gz YGZUNBKVKNEAAI-ZDUSSCGKSA-N 0 3 378.498 3.560 20 5 GHBDHN C[C@H](N)c1ccn(-c2ncc(C(F)(F)F)cc2-c2cccc([N+](=O)[O-])c2)n1 ZINC001169231423 871320640 /nfs/dbraw/zinc/32/06/40/871320640.db2.gz JGXADVYSHDQYHR-JTQLQIEISA-N 0 3 377.326 3.881 20 5 GHBDHN CC(C)O[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000463407244 871642158 /nfs/dbraw/zinc/64/21/58/871642158.db2.gz SPNICVVNTZWYEU-IUIKQTSFSA-N 0 3 383.876 3.757 20 5 GHBDHN CC(C)O[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000463407246 871642433 /nfs/dbraw/zinc/64/24/33/871642433.db2.gz SPNICVVNTZWYEU-XFBWCDHKSA-N 0 3 383.876 3.757 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462169513 871730667 /nfs/dbraw/zinc/73/06/67/871730667.db2.gz GZEYXDNYMBOOIS-DNVCBOLYSA-N 0 3 399.516 3.957 20 5 GHBDHN O=C(N[C@H]1CCN(C2CCCCC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000618668883 871817887 /nfs/dbraw/zinc/81/78/87/871817887.db2.gz DDXHWYUVQPKDSO-INIZCTEOSA-N 0 3 389.499 3.818 20 5 GHBDHN CC(C)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182448969 872351796 /nfs/dbraw/zinc/35/17/96/872351796.db2.gz KXZMRWHETSMNAB-IFXJQAMLSA-N 0 3 380.391 3.600 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2CC2(O)CCCCC2)c1 ZINC001197693247 873985371 /nfs/dbraw/zinc/98/53/71/873985371.db2.gz ULGKKXGRLMUONP-GOSISDBHSA-N 0 3 390.480 3.821 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000769512721 874119350 /nfs/dbraw/zinc/11/93/50/874119350.db2.gz RBEWALYBUXQAKM-ZBFHGGJFSA-N 0 3 393.484 3.871 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000769512932 874119635 /nfs/dbraw/zinc/11/96/35/874119635.db2.gz WGYBEECRRAOBCJ-SFHVURJKSA-N 0 3 391.418 3.759 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000541682669 874120126 /nfs/dbraw/zinc/12/01/26/874120126.db2.gz VHYDFISFJMEALQ-LBPRGKRZSA-N 0 3 375.400 3.546 20 5 GHBDHN COc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001198385941 874383675 /nfs/dbraw/zinc/38/36/75/874383675.db2.gz DGGGHJOTGLAWND-KRWDZBQOSA-N 0 3 383.448 3.763 20 5 GHBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000105464806 875300161 /nfs/dbraw/zinc/30/01/61/875300161.db2.gz ZTGJDUHVLMYGOM-MRXNPFEDSA-N 0 3 386.471 3.727 20 5 GHBDHN COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201232040 875567687 /nfs/dbraw/zinc/56/76/87/875567687.db2.gz OHDJBRZKGZDUAZ-UHFFFAOYSA-N 0 3 386.452 3.583 20 5 GHBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492676574 877328273 /nfs/dbraw/zinc/32/82/73/877328273.db2.gz RLCZUMYDWYCKET-RDJZCZTQSA-N 0 3 377.485 3.510 20 5 GHBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N(CCN1CCCC1)c1ccccc1 ZINC000610052788 877334842 /nfs/dbraw/zinc/33/48/42/877334842.db2.gz VMKJJVTWYJWIIS-UHFFFAOYSA-N 0 3 382.464 3.526 20 5 GHBDHN O=C1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C2CC2)N1 ZINC000551581392 877492779 /nfs/dbraw/zinc/49/27/79/877492779.db2.gz KODVURZCTIQKAK-QFBILLFUSA-N 0 3 389.839 3.655 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCC=C(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000551711411 877696018 /nfs/dbraw/zinc/69/60/18/877696018.db2.gz WHRSAOSHCZRMPJ-UHFFFAOYSA-N 0 3 381.432 3.721 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000068134142 877944766 /nfs/dbraw/zinc/94/47/66/877944766.db2.gz JVTNVUZTFVDENA-DOTOQJQBSA-N 0 3 377.510 3.552 20 5 GHBDHN O=C(NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000237880801 878244579 /nfs/dbraw/zinc/24/45/79/878244579.db2.gz HTIXKYSKVKDRMT-UHFFFAOYSA-N 0 3 399.378 3.639 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000776591605 878299107 /nfs/dbraw/zinc/29/91/07/878299107.db2.gz KZUHRXFQAIBJDH-NHCUHLMSSA-N 0 3 398.484 3.926 20 5 GHBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000493476488 879469907 /nfs/dbraw/zinc/46/99/07/879469907.db2.gz CUVQIDUHNVJYPZ-MGPUTAFESA-N 0 3 380.448 3.505 20 5 GHBDHN CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000265966544 879610948 /nfs/dbraw/zinc/61/09/48/879610948.db2.gz VFVGCLOERKTCOT-JQHSSLGASA-N 0 3 386.452 3.670 20 5 GHBDHN CO[C@]1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000461433212 879848977 /nfs/dbraw/zinc/84/89/77/879848977.db2.gz WAACDZNGEHDIPW-IBGZPJMESA-N 0 3 392.839 3.936 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494069003 879892521 /nfs/dbraw/zinc/89/25/21/879892521.db2.gz MALLAPNXMQBZPZ-RHSMWYFYSA-N 0 3 387.867 3.949 20 5 GHBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1COc2ccccc2O1 ZINC000170905798 879998460 /nfs/dbraw/zinc/99/84/60/879998460.db2.gz JSBMESSJVMXAHP-KRWDZBQOSA-N 0 3 395.415 3.564 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790798475 880006590 /nfs/dbraw/zinc/00/65/90/880006590.db2.gz BMOFKUNYHLIDHZ-UHFFFAOYSA-N 0 3 395.818 3.639 20 5 GHBDHN CN1CC[C@@H]2CN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000452968482 880283059 /nfs/dbraw/zinc/28/30/59/880283059.db2.gz CYUFLCNFXBTRIB-PBHICJAKSA-N 0 3 383.473 3.522 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CN(Cc4ccccc4)CCC3(F)F)n2)o1 ZINC000453257353 880691345 /nfs/dbraw/zinc/69/13/45/880691345.db2.gz MYCMZAFYUREITK-ZDUSSCGKSA-N 0 3 390.346 3.863 20 5 GHBDHN CCC[C@@H](NCc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531953406 880815083 /nfs/dbraw/zinc/81/50/83/880815083.db2.gz MSIASBVBLNITSH-OAQYLSRUSA-N 0 3 397.475 3.698 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000499101352 881103222 /nfs/dbraw/zinc/10/32/22/881103222.db2.gz NZUMGUYTXXXPKO-UXLLHSPISA-N 0 3 388.468 3.986 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000152987625 881287396 /nfs/dbraw/zinc/28/73/96/881287396.db2.gz WXWRJCRICPTKKR-KBPBESRZSA-N 0 3 377.510 3.698 20 5 GHBDHN CCC[C@@H](NC[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000858525971 883174055 /nfs/dbraw/zinc/17/40/55/883174055.db2.gz PKTZWRAXFJZWFP-QZTJIDSGSA-N 0 3 393.484 3.662 20 5 GHBDHN COc1cccc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000774653891 912680993 /nfs/dbraw/zinc/68/09/93/912680993.db2.gz MAKJEULZACPSCO-UHFFFAOYSA-N 0 3 381.436 3.556 20 5 GHBDHN Cc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)cc1[N+](=O)[O-] ZINC000551090465 883271545 /nfs/dbraw/zinc/27/15/45/883271545.db2.gz DUHSSIXCEPBKTK-HXUWFJFHSA-N 0 3 396.491 3.682 20 5 GHBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000804811706 883372892 /nfs/dbraw/zinc/37/28/92/883372892.db2.gz ALLQRFQWIWLVOT-JOCHJYFZSA-N 0 3 379.460 3.900 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(CC(F)(F)F)CC1 ZINC000551405739 883811917 /nfs/dbraw/zinc/81/19/17/883811917.db2.gz AVXSRVGODYAOCN-UHFFFAOYSA-N 0 3 389.374 3.596 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000026227440 884193095 /nfs/dbraw/zinc/19/30/95/884193095.db2.gz CPEQDRQUDJPVKH-GFCCVEGCSA-N 0 3 377.828 3.936 20 5 GHBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C1CCN(C)CC1 ZINC000193114642 884310805 /nfs/dbraw/zinc/31/08/05/884310805.db2.gz GEHBRIOIQZPBPD-UHFFFAOYSA-N 0 3 385.489 3.912 20 5 GHBDHN CC([C@@H](OC(=O)c1cccc(OC(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000860855166 885055070 /nfs/dbraw/zinc/05/50/70/885055070.db2.gz SZPPEGZWWFOWQC-YVEFUNNKSA-N 0 3 376.384 3.961 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000806949469 885141264 /nfs/dbraw/zinc/14/12/64/885141264.db2.gz FPAXBGAPDDOHFO-UHFFFAOYSA-N 0 3 382.892 3.656 20 5 GHBDHN O=C(OCC12CCCN(CCC1)C2)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000861360389 885425158 /nfs/dbraw/zinc/42/51/58/885425158.db2.gz SVUHRLMBYJIDKB-UHFFFAOYSA-N 0 3 376.456 3.714 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(OC(C)(C)C)nc1 ZINC000495440657 885809017 /nfs/dbraw/zinc/80/90/17/885809017.db2.gz VQMIFICYFAANLH-AWEZNQCLSA-N 0 3 386.452 3.674 20 5 GHBDHN Cc1c([C@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000532498305 885872007 /nfs/dbraw/zinc/87/20/07/885872007.db2.gz YMNZZDLWMAWORB-RXVVDRJESA-N 0 3 382.508 3.543 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454141099 886185040 /nfs/dbraw/zinc/18/50/40/886185040.db2.gz GOJIWZJARSUZLB-INIZCTEOSA-N 0 3 382.464 3.889 20 5 GHBDHN COc1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000026256742 886241647 /nfs/dbraw/zinc/24/16/47/886241647.db2.gz JEZQCTMSLHHEND-UHFFFAOYSA-N 0 3 375.400 3.512 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000032399874 886275321 /nfs/dbraw/zinc/27/53/21/886275321.db2.gz LVTGVLOOQASFQB-MRXNPFEDSA-N 0 3 399.516 3.640 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC[C@@H](O)COCc1ccccc1 ZINC000862548088 886459444 /nfs/dbraw/zinc/45/94/44/886459444.db2.gz XNFDCZFXHZSSAW-MRXNPFEDSA-N 0 3 399.274 3.959 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762975426 887477100 /nfs/dbraw/zinc/47/71/00/887477100.db2.gz WCLMLYSZBHOORN-MFMILTCTSA-N 0 3 379.460 3.841 20 5 GHBDHN Cc1ccc(NCCCNC(=O)Nc2cccc(CN(C)C)c2)c([N+](=O)[O-])c1 ZINC000153296768 887491260 /nfs/dbraw/zinc/49/12/60/887491260.db2.gz PGSXEHYTJZASRU-UHFFFAOYSA-N 0 3 385.468 3.589 20 5 GHBDHN C[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000865783897 888572576 /nfs/dbraw/zinc/57/25/76/888572576.db2.gz UCBJZEGKWSDBQT-LBPRGKRZSA-N 0 3 382.869 3.545 20 5 GHBDHN O=C1NCCN1Cc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000866577776 888947333 /nfs/dbraw/zinc/94/73/33/888947333.db2.gz POSVEJKWAZHUCT-OAQYLSRUSA-N 0 3 394.475 3.677 20 5 GHBDHN O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(C2CC2)CC1 ZINC000811216029 889297612 /nfs/dbraw/zinc/29/76/12/889297612.db2.gz IBUJZDFCCAMONR-UHFFFAOYSA-N 0 3 387.461 3.636 20 5 GHBDHN CNC(=O)c1cccc(CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811482487 889633310 /nfs/dbraw/zinc/63/33/10/889633310.db2.gz YDYACJCCUVBDIE-UHFFFAOYSA-N 0 3 382.247 3.594 20 5 GHBDHN O=C(NCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccs1 ZINC000811479721 889667599 /nfs/dbraw/zinc/66/75/99/889667599.db2.gz JSEGLPZNMZIEBL-UHFFFAOYSA-N 0 3 388.276 3.873 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)CC2)cc1C ZINC001184681586 913384993 /nfs/dbraw/zinc/38/49/93/913384993.db2.gz PHAPMZDGHPHTNI-UHFFFAOYSA-N 0 3 397.475 3.792 20 5 GHBDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000130245774 890041763 /nfs/dbraw/zinc/04/17/63/890041763.db2.gz VTLFFFFYNKOAJY-PMACEKPBSA-N 0 3 386.448 3.607 20 5 GHBDHN Cc1ccccc1-c1cc(C(=O)OCC(C)[N+](=O)[O-])c2cnn(C(C)C)c2n1 ZINC000813108002 891302585 /nfs/dbraw/zinc/30/25/85/891302585.db2.gz SVPUVBCEJZZVAK-AWEZNQCLSA-N 0 3 382.420 3.810 20 5 GHBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000288284229 913717329 /nfs/dbraw/zinc/71/73/29/913717329.db2.gz HKNCKKUMHNLSJX-HZPDHXFCSA-N 0 3 375.472 3.792 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)c3cc4ccccc4o3)CC2)cc1 ZINC000815054761 893371743 /nfs/dbraw/zinc/37/17/43/893371743.db2.gz MCOYFTSEHIUHSQ-LJQANCHMSA-N 0 3 382.416 3.918 20 5 GHBDHN COc1ccccc1[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877028491 893443654 /nfs/dbraw/zinc/44/36/54/893443654.db2.gz XOIGDBDQQSOOPO-MYKUNDNFSA-N 0 3 378.432 3.883 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1 ZINC000563835021 894243320 /nfs/dbraw/zinc/24/33/20/894243320.db2.gz JBWUROJOMBFXHU-MRXNPFEDSA-N 0 3 387.436 3.981 20 5 GHBDHN Cc1c(Br)c(N[C@@H]2CCN(CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001185555655 913950981 /nfs/dbraw/zinc/95/09/81/913950981.db2.gz UYNZFTUBUIFZPJ-CYBMUJFWSA-N 0 3 383.290 3.737 20 5 GHBDHN CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)CNC4)cc2[N+](=O)[O-])CC1 ZINC000565593160 895748089 /nfs/dbraw/zinc/74/80/89/895748089.db2.gz DUEKSMGPFIJSOZ-UHFFFAOYSA-N 0 3 380.448 3.687 20 5 GHBDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000880706857 895820331 /nfs/dbraw/zinc/82/03/31/895820331.db2.gz VTXNRLZZSMZPCX-UHFFFAOYSA-N 0 3 399.495 3.883 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)c2ccc(F)c(F)c2)cc(C(F)(F)F)c1 ZINC000819270004 896556363 /nfs/dbraw/zinc/55/63/63/896556363.db2.gz RUGJKDPNEBTWPL-OAHLLOKOSA-N 0 3 376.281 3.715 20 5 GHBDHN Cc1c(NC(=O)CCN2CC=C(c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000041895999 896895055 /nfs/dbraw/zinc/89/50/55/896895055.db2.gz DLRQAXRHPZQKPF-UHFFFAOYSA-N 0 3 381.432 3.727 20 5 GHBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000569263595 898482231 /nfs/dbraw/zinc/48/22/31/898482231.db2.gz MMTJKICCYHLEHW-AWEZNQCLSA-N 0 3 385.390 3.853 20 5 GHBDHN COc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000823520302 899090846 /nfs/dbraw/zinc/09/08/46/899090846.db2.gz GBDUJVKMBZROPR-HUUCEWRRSA-N 0 3 379.457 3.529 20 5 GHBDHN CN(Cc1ccccc1)CC(C)(C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000118980641 899512800 /nfs/dbraw/zinc/51/28/00/899512800.db2.gz IFCQQOPHZWNJDU-UHFFFAOYSA-N 0 3 395.463 3.645 20 5 GHBDHN CCNc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000824383046 899576037 /nfs/dbraw/zinc/57/60/37/899576037.db2.gz JHVLAKWZKHVHIU-FXAWDEMLSA-N 0 3 394.475 3.783 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000571001464 899707406 /nfs/dbraw/zinc/70/74/06/899707406.db2.gz ZDMQXXNPOQIYEI-CYBMUJFWSA-N 0 3 397.258 3.920 20 5 GHBDHN CSCC[C@@H](C)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571843309 899984614 /nfs/dbraw/zinc/98/46/14/899984614.db2.gz ZPDAFVIBKWIUCO-SNVBAGLBSA-N 0 3 394.278 3.773 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000574432294 900890423 /nfs/dbraw/zinc/89/04/23/900890423.db2.gz NLVLDZMZZUOSRZ-YZIPPPLESA-N 0 3 383.448 3.598 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000576773857 902250753 /nfs/dbraw/zinc/25/07/53/902250753.db2.gz RHXNCFRBDTXFSY-FUHWJXTLSA-N 0 3 381.476 3.652 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000577018251 902435841 /nfs/dbraw/zinc/43/58/41/902435841.db2.gz RDOWHUZYDCJCPB-BBRMVZONSA-N 0 3 382.420 3.595 20 5 GHBDHN CC([C@H](OC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845873201 902475216 /nfs/dbraw/zinc/47/52/16/902475216.db2.gz RZZUVZNUVDKWFO-DJJJIMSYSA-N 0 3 399.378 3.758 20 5 GHBDHN COc1ccc2c(c1)C=C(C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])CO2 ZINC000845876606 902480876 /nfs/dbraw/zinc/48/08/76/902480876.db2.gz NDKNEDYXHWZTHB-BUXKBTBVSA-N 0 3 387.363 3.560 20 5 GHBDHN CC([C@H](OC(=O)c1ccc2c(c1)NC(=O)C2(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845881847 902485428 /nfs/dbraw/zinc/48/54/28/902485428.db2.gz MKQDVLAZWFVZHN-GTNSWQLSSA-N 0 3 386.379 3.619 20 5 GHBDHN CC([C@@H](OC(=O)CCc1ncc(C(C)(C)C)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845882996 902488066 /nfs/dbraw/zinc/48/80/66/902488066.db2.gz QQWIHZHTENRGHY-KZULUSFZSA-N 0 3 378.400 3.994 20 5 GHBDHN CC([C@H](OC(=O)CCc1ncc(C(C)(C)C)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845882999 902488218 /nfs/dbraw/zinc/48/82/18/902488218.db2.gz QQWIHZHTENRGHY-XIKOKIGWSA-N 0 3 378.400 3.994 20 5 GHBDHN CC([C@@H](OC(=O)c1csc(C(F)(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845884334 902489323 /nfs/dbraw/zinc/48/93/23/902489323.db2.gz XRPYGDXCDHHULR-WRWORJQWSA-N 0 3 378.303 3.864 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccnc(N3CCSCC3)c1)CCC2 ZINC000601302802 903554078 /nfs/dbraw/zinc/55/40/78/903554078.db2.gz WFXANUOBYKIANC-LJQANCHMSA-N 0 3 384.505 3.710 20 5 GHBDHN CCOC(=O)C1CCC(N(CC)Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000578912381 904219413 /nfs/dbraw/zinc/21/94/13/904219413.db2.gz SVZSCNAZBDKAMD-UHFFFAOYSA-N 0 3 382.432 3.686 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000773036611 904391308 /nfs/dbraw/zinc/39/13/08/904391308.db2.gz QUBFDSMUYSQLSV-UHFFFAOYSA-N 0 3 390.827 3.915 20 5 GHBDHN CC(C)c1cc(CNC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)on1 ZINC001173009895 906084763 /nfs/dbraw/zinc/08/47/63/906084763.db2.gz DEZRMMLYPYYGHG-UHFFFAOYSA-N 0 3 380.395 3.743 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CCOc3c(F)cccc32)c1F ZINC001173176515 906252838 /nfs/dbraw/zinc/25/28/38/906252838.db2.gz HPURIVSNIJGPHR-XHDPSFHLSA-N 0 3 378.375 3.926 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](c2cccnc2F)C2CC2)c1F ZINC001173181430 906261651 /nfs/dbraw/zinc/26/16/51/906261651.db2.gz VWZMNBPGVVLLBQ-ADLMAVQZSA-N 0 3 377.391 3.949 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](c2cccnc2OC)C2CC2)c1F ZINC001173182318 906262813 /nfs/dbraw/zinc/26/28/13/906262813.db2.gz RWTZRLXHTGBDNO-HXPMCKFVSA-N 0 3 389.427 3.818 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001173220768 906297449 /nfs/dbraw/zinc/29/74/49/906297449.db2.gz CFSGBYMTAXMOBA-QRWLVFNGSA-N 0 3 375.469 3.611 20 5 GHBDHN CC[C@H](N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178462519 906346769 /nfs/dbraw/zinc/34/67/69/906346769.db2.gz OROQAVRZPAGNFK-UGSOOPFHSA-N 0 3 377.466 3.768 20 5 GHBDHN CCn1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC001179937070 909813800 /nfs/dbraw/zinc/81/38/00/909813800.db2.gz JMADXUQHLUKCHF-SFHVURJKSA-N 0 3 392.463 3.560 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC ZINC000775078818 914977200 /nfs/dbraw/zinc/97/72/00/914977200.db2.gz PQAWYMBLYWGLMF-MRXNPFEDSA-N 0 3 387.436 3.682 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)COc1ccccc1 ZINC000775202140 916223903 /nfs/dbraw/zinc/22/39/03/916223903.db2.gz ZMZMRKOWVMHZMW-MRXNPFEDSA-N 0 3 378.856 3.899 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000796431120 917092001 /nfs/dbraw/zinc/09/20/01/917092001.db2.gz LBKNBZMBWYBILG-SJORKVTESA-N 0 3 385.247 3.648 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000008003777 920914297 /nfs/dbraw/zinc/91/42/97/920914297.db2.gz UFXZTUNYNOCPFH-LJQANCHMSA-N 0 3 375.400 3.668 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)n1 ZINC000369683644 923540658 /nfs/dbraw/zinc/54/06/58/923540658.db2.gz NSLKKHDWGHMGBF-UHFFFAOYSA-N 0 3 384.358 3.570 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)n1 ZINC000369698863 923551164 /nfs/dbraw/zinc/55/11/64/923551164.db2.gz YGPFFTNEKAJAPK-UHFFFAOYSA-N 0 3 386.843 3.672 20 5 GHBDHN COc1cc(CN2CC([C@@H]3CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000369867856 923695702 /nfs/dbraw/zinc/69/57/02/923695702.db2.gz MOYJUSFDJOVMLK-GOSISDBHSA-N 0 3 398.459 3.651 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000749675423 927230857 /nfs/dbraw/zinc/23/08/57/927230857.db2.gz ZCHUFKOKCBFUHD-IEBWSBKVSA-N 0 3 376.840 3.825 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412547628 927562063 /nfs/dbraw/zinc/56/20/63/927562063.db2.gz LAWCJPLRDQVXSZ-GFCCVEGCSA-N 0 3 377.441 3.915 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000467717221 929334430 /nfs/dbraw/zinc/33/44/30/929334430.db2.gz ZTYIHOOZNWSCHK-AUUYWEPGSA-N 0 3 381.432 3.600 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000470174087 930431391 /nfs/dbraw/zinc/43/13/91/930431391.db2.gz QBPKGORXQXEPML-QIPRVMPFSA-N 0 3 377.448 3.920 20 5 GHBDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531422 931259758 /nfs/dbraw/zinc/25/97/58/931259758.db2.gz OGFBGKBIFVNDEX-MNOVXSKESA-N 0 3 377.338 3.725 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccco1 ZINC000557485877 931465527 /nfs/dbraw/zinc/46/55/27/931465527.db2.gz DKYZHUFOIYMNOI-GXTWGEPZSA-N 0 3 377.466 3.769 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccco1 ZINC000557912682 931750956 /nfs/dbraw/zinc/75/09/56/931750956.db2.gz XCMHKYLEDNZLSV-SWLSCSKDSA-N 0 3 377.466 3.769 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000558974635 932347354 /nfs/dbraw/zinc/34/73/54/932347354.db2.gz ZTPKTTSTGWJFJZ-OAHLLOKOSA-N 0 3 382.247 3.934 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000558974634 932347593 /nfs/dbraw/zinc/34/75/93/932347593.db2.gz ZTPKTTSTGWJFJZ-HNNXBMFYSA-N 0 3 382.247 3.934 20 5 GHBDHN COCCO[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000559074149 932414285 /nfs/dbraw/zinc/41/42/85/932414285.db2.gz VTDVYSYMPDSYOL-QGZVFWFLSA-N 0 3 376.478 3.951 20 5 GHBDHN CN(CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C ZINC000797966707 932474298 /nfs/dbraw/zinc/47/42/98/932474298.db2.gz WAHDXAGBUYBZIZ-UHFFFAOYSA-N 0 3 393.484 3.695 20 5 GHBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116595607 933654698 /nfs/dbraw/zinc/65/46/98/933654698.db2.gz XDKKARNHCPPRPJ-MAUKXSAKSA-N 0 3 380.828 3.792 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116640558 933679070 /nfs/dbraw/zinc/67/90/70/933679070.db2.gz SXWRICMLXXBBRG-NRFANRHFSA-N 0 3 396.491 3.777 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001626006971 1014750417 /nfs/dbraw/zinc/75/04/17/1014750417.db2.gz WXKYKKKQIBWHNE-GOSISDBHSA-N 0 3 398.463 3.698 20 5 GHBDHN CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544850224 1015099829 /nfs/dbraw/zinc/09/98/29/1015099829.db2.gz QOGCIMIGXCSADH-SFHVURJKSA-N 0 3 387.867 3.985 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(F)ccc1N1CCOCC1 ZINC000468626938 1015856282 /nfs/dbraw/zinc/85/62/82/1015856282.db2.gz BDQIAYJIELACRH-WJDWOHSUSA-N 0 3 385.439 3.764 20 5 GHBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1C ZINC000470155677 1016739219 /nfs/dbraw/zinc/73/92/19/1016739219.db2.gz BKMCIZLABFPMQL-RISCZKNCSA-N 0 3 378.812 3.892 20 5 GHBDHN CCN(CC)CCNC(=O)c1ccc2oc3cc(OC(C)C)ccc3c(=O)c2c1 ZINC001154568699 1032187537 /nfs/dbraw/zinc/18/75/37/1032187537.db2.gz UAFBOSRPPMTMRY-UHFFFAOYSA-N 0 3 396.487 3.805 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1 ZINC001227045316 1032249860 /nfs/dbraw/zinc/24/98/60/1032249860.db2.gz VLEUPNPUYPTXTJ-WGMWDUQUSA-N 0 3 396.443 3.671 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1ccc(Br)nc1[N+](=O)[O-] ZINC001227260112 1032345839 /nfs/dbraw/zinc/34/58/39/1032345839.db2.gz PIPHSSWMCXFITL-WFASDCNBSA-N 0 3 392.253 3.652 20 5 GHBDHN COC(=O)c1ccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC001227297891 1032359959 /nfs/dbraw/zinc/35/99/59/1032359959.db2.gz HGJLARORNHWCFF-WGMWDUQUSA-N 0 3 396.443 3.671 20 5 GHBDHN COC(=O)c1ccc(O[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001227296355 1032360352 /nfs/dbraw/zinc/36/03/52/1032360352.db2.gz WIHZGJCSXRWSMW-YWZLYKJASA-N 0 3 384.432 3.671 20 5 GHBDHN CC1(C)CCCN(CCNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001155877855 1032758393 /nfs/dbraw/zinc/75/83/93/1032758393.db2.gz TXVCTVGESXEQEG-UHFFFAOYSA-N 0 3 382.464 3.509 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000565679578 1019189763 /nfs/dbraw/zinc/18/97/63/1019189763.db2.gz VHNVJMICKMWTNW-GUYCJALGSA-N 0 3 386.452 3.621 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000834903294 1021654805 /nfs/dbraw/zinc/65/48/05/1021654805.db2.gz HHKSZGHSEFQUJE-DOTOQJQBSA-N 0 3 393.484 3.580 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000754095577 1022478093 /nfs/dbraw/zinc/47/80/93/1022478093.db2.gz WPVSXYYVKYEZHQ-BMRADRMJSA-N 0 3 379.460 3.563 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC(CCCN3CCOCC3)CC2)c1 ZINC000780331861 1023393468 /nfs/dbraw/zinc/39/34/68/1023393468.db2.gz XVYFLLXHMCIQTF-UHFFFAOYSA-N 0 3 381.904 3.573 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1F ZINC000832320365 1025441995 /nfs/dbraw/zinc/44/19/95/1025441995.db2.gz SFHFCMLONOKLDC-SGTLLEGYSA-N 0 3 377.391 3.603 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NCc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000839187463 1025703405 /nfs/dbraw/zinc/70/34/05/1025703405.db2.gz UGBCSECJKIIWLO-XHSDSOJGSA-N 0 3 393.459 3.859 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1Cl ZINC000839300449 1025787885 /nfs/dbraw/zinc/78/78/85/1025787885.db2.gz BTMKNCQKNZQNLU-CYBMUJFWSA-N 0 3 389.839 3.526 20 5 GHBDHN Cc1c(NC(=O)NCCN2CCC(C)CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001209878964 1027257391 /nfs/dbraw/zinc/25/73/91/1027257391.db2.gz MIYVHUOGJUBAKQ-UHFFFAOYSA-N 0 3 388.390 3.775 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001461380122 1069525521 /nfs/dbraw/zinc/52/55/21/1069525521.db2.gz BIDAIWNHRUBQMD-UHFFFAOYSA-N 0 3 379.800 3.887 20 5 GHBDHN CO[C@@H]1COC[C@@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001461564993 1069612227 /nfs/dbraw/zinc/61/22/27/1069612227.db2.gz PXLZTQNOTJNHGL-MAUKXSAKSA-N 0 3 378.812 3.544 20 5 GHBDHN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001219207267 1031305180 /nfs/dbraw/zinc/30/51/80/1031305180.db2.gz DEZXDTBXDGARSA-KKSFZXQISA-N 0 3 380.467 3.791 20 5 GHBDHN C[C@@H]1OC[C@]2(CC[C@H](CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)O2)[C@H]1C ZINC001461766357 1069733038 /nfs/dbraw/zinc/73/30/38/1069733038.db2.gz LUXUHAMTFRUBHT-LMOYHYAASA-N 0 3 386.448 3.917 20 5 GHBDHN C[C@@H]([C@H](Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21)c1ccccc1)N1CCCC1 ZINC001229365152 1033439796 /nfs/dbraw/zinc/43/97/96/1033439796.db2.gz SFVKGYKXOIQVAX-LIRRHRJNSA-N 0 3 394.431 3.848 20 5 GHBDHN COC(=O)c1ccc(C)c([N+](=O)[O-])c1OC1CCN(Cc2ccccc2)CC1 ZINC001229904593 1033785268 /nfs/dbraw/zinc/78/52/68/1033785268.db2.gz YMHBIUCZGXWJAS-UHFFFAOYSA-N 0 3 384.432 3.733 20 5 GHBDHN Cc1ccc(CN[C@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001207150350 1034128320 /nfs/dbraw/zinc/12/83/20/1034128320.db2.gz FFENBUPIIKIGDP-IBGZPJMESA-N 0 3 383.448 3.794 20 5 GHBDHN Cc1c(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001234101626 1039842233 /nfs/dbraw/zinc/84/22/33/1039842233.db2.gz DOBWTLXJKCCRCB-FQEVSTJZSA-N 0 3 396.491 3.757 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cn(Cc4ccccc4)cn3)CC2)cc1 ZINC001254470710 1040256858 /nfs/dbraw/zinc/25/68/58/1040256858.db2.gz QSXZZRIHERVTGN-UHFFFAOYSA-N 0 3 391.475 3.598 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254553866 1040322631 /nfs/dbraw/zinc/32/26/31/1040322631.db2.gz ZSLARZSFRHUIKB-RDJZCZTQSA-N 0 3 377.485 3.905 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001254554582 1040324692 /nfs/dbraw/zinc/32/46/92/1040324692.db2.gz BYFRTWOIWBBZCX-RBDMOPTHSA-N 0 3 397.475 3.623 20 5 GHBDHN CC(C)COC[C@H]1CC[C@@H]2[C@@H](CCN2[C@H](C)Cc2ccccc2[N+](=O)[O-])O1 ZINC001254558662 1040327515 /nfs/dbraw/zinc/32/75/15/1040327515.db2.gz VANCEIMWANHJCG-KRZXBLKESA-N 0 3 376.497 3.820 20 5 GHBDHN COc1cc(N2CCC(N3CCc4c(F)cccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256100987 1041529106 /nfs/dbraw/zinc/52/91/06/1041529106.db2.gz XINDXXGYKXWOOH-UHFFFAOYSA-N 0 3 385.439 3.770 20 5 GHBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001293328513 1044117441 /nfs/dbraw/zinc/11/74/41/1044117441.db2.gz PICAOBYOSHAKLS-LJQANCHMSA-N 0 3 396.491 3.811 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001294804383 1044800891 /nfs/dbraw/zinc/80/08/91/1044800891.db2.gz NQVOSIDFHMQWMO-VQIMIIECSA-N 0 3 397.475 3.775 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1C(F)(F)F ZINC001307209778 1045277830 /nfs/dbraw/zinc/27/78/30/1045277830.db2.gz NOOYBAKCTKSZSS-BBRMVZONSA-N 0 3 387.402 3.917 20 5 GHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCN2CCC[C@@H]2C)cc1 ZINC001306829221 1048917985 /nfs/dbraw/zinc/91/79/85/1048917985.db2.gz PIPOSHBZRGEWGP-HNNXBMFYSA-N 0 3 399.447 3.610 20 5 GHBDHN Cc1nc(N2CCN(Cc3ccccc3)C3(CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001306993890 1048996072 /nfs/dbraw/zinc/99/60/72/1048996072.db2.gz XCWVFRIIRIQPLK-UHFFFAOYSA-N 0 3 381.480 3.718 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001288761196 1049221440 /nfs/dbraw/zinc/22/14/40/1049221440.db2.gz GFSGHBWCXOMEFY-UHFFFAOYSA-N 0 3 397.353 3.693 20 5 GHBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001307502606 1049344267 /nfs/dbraw/zinc/34/42/67/1049344267.db2.gz ZFEODZWMQWKOQV-QZTJIDSGSA-N 0 3 396.491 3.518 20 5 GHBDHN CCCCO[C@@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001307759454 1049574282 /nfs/dbraw/zinc/57/42/82/1049574282.db2.gz ZJGUQKDMBXWWND-HZPDHXFCSA-N 0 3 383.876 3.760 20 5 GHBDHN C[C@@H]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307857044 1049639319 /nfs/dbraw/zinc/63/93/19/1049639319.db2.gz AUPCHBNKCBQBQD-VYDXJSESSA-N 0 3 377.485 3.966 20 5 GHBDHN CC(C)c1nnc(CC2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)[nH]1 ZINC001307890537 1049669752 /nfs/dbraw/zinc/66/97/52/1049669752.db2.gz SHBJCXXZIORSTR-UHFFFAOYSA-N 0 3 377.876 3.944 20 5 GHBDHN CCc1ccc2c(c1)[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC001308667443 1050053887 /nfs/dbraw/zinc/05/38/87/1050053887.db2.gz IJHGAWHCELISQY-IFXJQAMLSA-N 0 3 383.448 3.988 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@H](C(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001308802359 1050100337 /nfs/dbraw/zinc/10/03/37/1050100337.db2.gz LNEOFPZZFOKBLI-ZBFHGGJFSA-N 0 3 378.469 3.793 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC001311393994 1052084176 /nfs/dbraw/zinc/08/41/76/1052084176.db2.gz GPGVMNCJTRMEQQ-SFHVURJKSA-N 0 3 390.509 3.847 20 5 GHBDHN Cc1ccc(CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001311712040 1052349805 /nfs/dbraw/zinc/34/98/05/1052349805.db2.gz IUGVYZICCRLEHV-VQIMIIECSA-N 0 3 382.464 3.538 20 5 GHBDHN CC(=O)NCC1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001319701572 1055408811 /nfs/dbraw/zinc/40/88/11/1055408811.db2.gz YWXMWCDUEZUISQ-UHFFFAOYSA-N 0 3 391.855 3.856 20 5 GHBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001326280508 1057446699 /nfs/dbraw/zinc/44/66/99/1057446699.db2.gz PWRMOXNXGJLBLY-IRXDYDNUSA-N 0 3 388.395 3.958 20 5 GHBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001437766083 1063928038 /nfs/dbraw/zinc/92/80/38/1063928038.db2.gz FMCNBBTXBIGUPG-HNNXBMFYSA-N 0 3 385.386 3.750 20 5 GHBDHN CNc1c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001464402196 1064989670 /nfs/dbraw/zinc/98/96/70/1064989670.db2.gz PTDMWQOKPRRGEX-HXUWFJFHSA-N 0 3 396.491 3.840 20 5 GHBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 ZINC001465544632 1065703767 /nfs/dbraw/zinc/70/37/67/1065703767.db2.gz DKGSPGMDBJCYOT-MRXNPFEDSA-N 0 3 388.855 3.953 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC001466442025 1066156688 /nfs/dbraw/zinc/15/66/88/1066156688.db2.gz LCWGWTVVUNHBGX-GOSISDBHSA-N 0 3 386.452 3.645 20 5 GHBDHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001466678496 1066252415 /nfs/dbraw/zinc/25/24/15/1066252415.db2.gz DMHHVUKQCXRZDP-KRWDZBQOSA-N 0 3 386.427 3.910 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC001357619677 1067198405 /nfs/dbraw/zinc/19/84/05/1067198405.db2.gz IIFYVGWHIPLYKW-OAQYLSRUSA-N 0 3 378.428 3.791 20 5 GHBDHN Cc1c(CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC001478429586 1078865455 /nfs/dbraw/zinc/86/54/55/1078865455.db2.gz NAZGGRNXEHJRII-FQEVSTJZSA-N 0 3 398.507 3.859 20 5 GHBDHN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001471322716 1073018313 /nfs/dbraw/zinc/01/83/13/1073018313.db2.gz WAYKZHPIZMVPTK-DYESRHJHSA-N 0 3 396.491 3.962 20 5 GHBDHN CN1CCN(Cc2cccc(CNc3ccc([N+](=O)[O-])cc3C(F)F)c2)CC1 ZINC001472684184 1073617465 /nfs/dbraw/zinc/61/74/65/1073617465.db2.gz YWSLRLPFWOPKEF-UHFFFAOYSA-N 0 3 390.434 3.892 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)N(C)C[C@H]2C)cc1OC ZINC001473290027 1073908805 /nfs/dbraw/zinc/90/88/05/1073908805.db2.gz SZAUFNNQKJNENU-ARFHVFGLSA-N 0 3 379.501 3.553 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H]3CN(c4ccccc4)CCO3)C2)cc1 ZINC001473486955 1073985796 /nfs/dbraw/zinc/98/57/96/1073985796.db2.gz VRVDDIKFHYSOMB-UGKGYDQZSA-N 0 3 381.476 3.680 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1OC ZINC001473732878 1074114385 /nfs/dbraw/zinc/11/43/85/1074114385.db2.gz XYOAAOCPYSMZQT-KRWDZBQOSA-N 0 3 387.436 3.682 20 5 GHBDHN CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)N1CCc2ccccc2C1 ZINC001476341811 1075129712 /nfs/dbraw/zinc/12/97/12/1075129712.db2.gz AGEJEBIFIGBUDV-IBGZPJMESA-N 0 3 382.464 3.862 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H](CO)Cc3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC001650953033 1126252299 /nfs/dbraw/zinc/25/22/99/1126252299.db2.gz ROPKQHVBHUGKSS-KRWDZBQOSA-N 0 3 396.443 3.865 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1 ZINC000549009573 837452320 /nfs/dbraw/zinc/45/23/20/837452320.db2.gz KFAJWBYMJIJXGY-UHFFFAOYSA-N 0 3 385.464 3.506 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000176792416 834755752 /nfs/dbraw/zinc/75/57/52/834755752.db2.gz AMSXMDSZEYKJPU-LJQANCHMSA-N 0 3 385.439 3.918 20 5 GHBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H](c1ccccc1)N(C)C ZINC000471135251 834888007 /nfs/dbraw/zinc/88/80/07/834888007.db2.gz BDBVQSXVRQVTPW-JLTOFOAXSA-N 0 3 378.432 3.564 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000611935126 835078510 /nfs/dbraw/zinc/07/85/10/835078510.db2.gz KXNRUQNSJYKDID-NRFANRHFSA-N 0 3 396.491 3.659 20 5 GHBDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583855944 835159406 /nfs/dbraw/zinc/15/94/06/835159406.db2.gz XYOKHFQLBNFMTJ-QZTJIDSGSA-N 0 3 381.476 3.679 20 5 GHBDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000062374545 836136111 /nfs/dbraw/zinc/13/61/11/836136111.db2.gz YAGMOAJNNUIWSM-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000275495579 837130984 /nfs/dbraw/zinc/13/09/84/837130984.db2.gz JEYVEXHLZMSULL-AZUAARDMSA-N 0 3 382.420 3.598 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccco1 ZINC000580544860 837366109 /nfs/dbraw/zinc/36/61/09/837366109.db2.gz HOFPMQCYNDZTOA-TZMCWYRMSA-N 0 3 377.466 3.769 20 5 GHBDHN CNC(=O)c1cccc(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180602677 837377284 /nfs/dbraw/zinc/37/72/84/837377284.db2.gz WDOWQWAROXBLQX-JOCHJYFZSA-N 0 3 389.455 3.876 20 5 GHBDHN COc1cccc([C@@H]2[C@@H](NCc3ccc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000549115560 838627451 /nfs/dbraw/zinc/62/74/51/838627451.db2.gz JKJKMIAUTRKVRZ-LEWJYISDSA-N 0 3 385.439 3.810 20 5 GHBDHN COc1cccc([C@@H]2[C@@H](NCc3ccc([N+](=O)[O-])cc3OC)CCN2C2CC2)c1 ZINC000549117095 838665587 /nfs/dbraw/zinc/66/55/87/838665587.db2.gz KAEQGKFQHGOAHI-RBBKRZOGSA-N 0 3 397.475 3.680 20 5 GHBDHN CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000121179670 838998318 /nfs/dbraw/zinc/99/83/18/838998318.db2.gz VDJXXWHBDJVLFC-IEBWSBKVSA-N 0 3 395.459 3.750 20 5 GHBDHN CC[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2C1 ZINC000109891400 839476911 /nfs/dbraw/zinc/47/69/11/839476911.db2.gz JABPPMMPZKOGMX-QGZVFWFLSA-N 0 3 392.459 3.643 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458204465 844450520 /nfs/dbraw/zinc/45/05/20/844450520.db2.gz QNOSLAMOHJQFDK-AWEZNQCLSA-N 0 3 393.534 3.727 20 5 GHBDHN CC1CCN([C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000015128650 840323564 /nfs/dbraw/zinc/32/35/64/840323564.db2.gz IHYQVXXWCHDTCX-KRWDZBQOSA-N 0 3 388.493 3.640 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126418949 841053948 /nfs/dbraw/zinc/05/39/48/841053948.db2.gz JNDDUKZXWBPEJU-GJYPPUQNSA-N 0 3 382.464 3.618 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000573612741 844606276 /nfs/dbraw/zinc/60/62/76/844606276.db2.gz LCSHNIXOXQPQLJ-UHFFFAOYSA-N 0 3 388.443 3.892 20 5 GHBDHN Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000106876457 841128087 /nfs/dbraw/zinc/12/80/87/841128087.db2.gz NIAFYPWMQCTCBR-ZDUSSCGKSA-N 0 3 376.482 3.998 20 5 GHBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000549532321 841430347 /nfs/dbraw/zinc/43/03/47/841430347.db2.gz RHZLTTOBSDVXHT-LBPRGKRZSA-N 0 3 395.385 3.989 20 5 GHBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000549532321 841430355 /nfs/dbraw/zinc/43/03/55/841430355.db2.gz RHZLTTOBSDVXHT-LBPRGKRZSA-N 0 3 395.385 3.989 20 5 GHBDHN C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000126742918 842015080 /nfs/dbraw/zinc/01/50/80/842015080.db2.gz SHXFWOPIMAEKIE-HOTGVXAUSA-N 0 3 386.471 3.898 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC000482127727 842016187 /nfs/dbraw/zinc/01/61/87/842016187.db2.gz PKMHGMNHVONVOL-MORSLUCNSA-N 0 3 393.484 3.504 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000247375040 842305696 /nfs/dbraw/zinc/30/56/96/842305696.db2.gz LBQUKJOGLWTXAE-SJCJKPOMSA-N 0 3 377.441 3.608 20 5 GHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)COCc1ccccc1 ZINC000511979445 843514131 /nfs/dbraw/zinc/51/41/31/843514131.db2.gz WKMTVURCJZECMX-FQEVSTJZSA-N 0 3 396.443 3.864 20 5 GHBDHN COc1cc2c(c(OC)c1OC)CCN(Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000431170543 843758262 /nfs/dbraw/zinc/75/82/62/843758262.db2.gz CGRSMPINOCWXRF-UHFFFAOYSA-N 0 3 386.448 3.530 20 5 GHBDHN O=C1CCC[C@@H](CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 ZINC000433197929 843817654 /nfs/dbraw/zinc/81/76/54/843817654.db2.gz UYBRLIHESDANOH-AWEZNQCLSA-N 0 3 389.839 3.799 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(F)c(Cl)c1 ZINC000433250126 843927655 /nfs/dbraw/zinc/92/76/55/843927655.db2.gz ZGTLCDFNXUMKPE-UHFFFAOYSA-N 0 3 395.818 3.857 20 5 GHBDHN CC(C)NC(=O)c1ccc(NC[C@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000028740021 861564798 /nfs/dbraw/zinc/56/47/98/861564798.db2.gz YQZBUZHWPOGNOX-MRXNPFEDSA-N 0 3 376.482 3.509 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000157603648 846017353 /nfs/dbraw/zinc/01/73/53/846017353.db2.gz ZYGRIPGSDXVNLC-KSSFIOAISA-N 0 3 387.386 3.630 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183164103 846430875 /nfs/dbraw/zinc/43/08/75/846430875.db2.gz RZJNUCKAOXSNAS-UHFFFAOYSA-N 0 3 384.358 3.526 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000413937045 846559134 /nfs/dbraw/zinc/55/91/34/846559134.db2.gz HVFGUZYKRAWIQP-UHFFFAOYSA-N 0 3 395.818 3.857 20 5 GHBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000511145088 847457508 /nfs/dbraw/zinc/45/75/08/847457508.db2.gz VFQGEJVPAIFPIX-QGZVFWFLSA-N 0 3 396.491 3.669 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604127065 861856841 /nfs/dbraw/zinc/85/68/41/861856841.db2.gz HISHNACAKGJMLG-SFHVURJKSA-N 0 3 396.491 3.882 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247915468 848912541 /nfs/dbraw/zinc/91/25/41/848912541.db2.gz AWSQIWZLADZYGC-SFTDATJTSA-N 0 3 396.491 3.960 20 5 GHBDHN CCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986532 861983182 /nfs/dbraw/zinc/98/31/82/861983182.db2.gz WZAYSYAMECIKAM-UHFFFAOYSA-N 0 3 396.491 3.763 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583396800 849795165 /nfs/dbraw/zinc/79/51/65/849795165.db2.gz CYPLFWAZUKZMNG-APMMZXSISA-N 0 3 397.475 3.863 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000518782759 850090773 /nfs/dbraw/zinc/09/07/73/850090773.db2.gz KZHURXFQEVGRIW-JKIFEVAISA-N 0 3 377.510 3.509 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000439900886 850571340 /nfs/dbraw/zinc/57/13/40/850571340.db2.gz MPHLZLKLOFOLKU-SFHVURJKSA-N 0 3 398.463 3.732 20 5 GHBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1COc2ccccc21 ZINC000163045822 862257368 /nfs/dbraw/zinc/25/73/68/862257368.db2.gz IGZHANOTMJSWPP-XUJVJEKNSA-N 0 3 389.839 3.730 20 5 GHBDHN CCN1CCC[C@@H](CN(C)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1cnn(C)c1 ZINC000509592707 853026670 /nfs/dbraw/zinc/02/66/70/853026670.db2.gz NKGASZRGBCFHFX-IFXJQAMLSA-N 0 3 391.903 3.891 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000507578329 853049961 /nfs/dbraw/zinc/04/99/61/853049961.db2.gz DZHLGRSJYKQBRQ-DOTOQJQBSA-N 0 3 385.489 3.639 20 5 GHBDHN Cc1c(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cccc1[N+](=O)[O-] ZINC000052829917 853285542 /nfs/dbraw/zinc/28/55/42/853285542.db2.gz UHVYIWDOLYOAOV-HNNXBMFYSA-N 0 3 388.855 3.802 20 5 GHBDHN CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000518424597 853331524 /nfs/dbraw/zinc/33/15/24/853331524.db2.gz FAWQLGFFVQTDST-SFHVURJKSA-N 0 3 380.448 3.647 20 5 GHBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518475390 853391851 /nfs/dbraw/zinc/39/18/51/853391851.db2.gz SNSPUHDIBLOMGU-QZTJIDSGSA-N 0 3 397.258 3.871 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)N(C)C)cc1 ZINC000517198016 853486477 /nfs/dbraw/zinc/48/64/77/853486477.db2.gz JPSAQOALPRJZIC-HNNXBMFYSA-N 0 3 379.507 3.719 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000163961326 853636540 /nfs/dbraw/zinc/63/65/40/853636540.db2.gz UWDXEAGOPRZLDG-YJBOKZPZSA-N 0 3 382.464 3.854 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000571429507 853877371 /nfs/dbraw/zinc/87/73/71/853877371.db2.gz GJNMGGZLDSSXBE-RVKKMQEKSA-N 0 3 391.537 3.899 20 5 GHBDHN CN(C)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000301473936 855117588 /nfs/dbraw/zinc/11/75/88/855117588.db2.gz MKZQILFTYCQSDD-KRWDZBQOSA-N 0 3 387.827 3.612 20 5 GHBDHN COC1CCN(CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301517173 855189749 /nfs/dbraw/zinc/18/97/49/855189749.db2.gz DDMWTHPTQCJSFG-UHFFFAOYSA-N 0 3 381.782 3.790 20 5 GHBDHN COc1ccc(CN(C)CCOc2cccc([N+](=O)[O-])c2)cc1OC(F)F ZINC000046061040 855466875 /nfs/dbraw/zinc/46/68/75/855466875.db2.gz JBXQYOIGOKLURA-UHFFFAOYSA-N 0 3 382.363 3.716 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000765844657 855472177 /nfs/dbraw/zinc/47/21/77/855472177.db2.gz HLMMMHWLOVULNJ-HOTGVXAUSA-N 0 3 393.237 3.504 20 5 GHBDHN COc1cccc(C2CCN(CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000441526654 855578222 /nfs/dbraw/zinc/57/82/22/855578222.db2.gz VSBHIEYAKHZLER-UHFFFAOYSA-N 0 3 386.448 3.870 20 5 GHBDHN Cn1cc(CN2CC(Cc3ccc(F)cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590968263 855679713 /nfs/dbraw/zinc/67/97/13/855679713.db2.gz GWXGVKNPLDDOJD-UHFFFAOYSA-N 0 3 380.423 3.809 20 5 GHBDHN COC(=O)COc1ccc(CN([C@H](C)c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000573046275 855702070 /nfs/dbraw/zinc/70/20/70/855702070.db2.gz WOLHUXCAFCJSPF-OAHLLOKOSA-N 0 3 384.432 3.872 20 5 GHBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128280 855827618 /nfs/dbraw/zinc/82/76/18/855827618.db2.gz GUAZSCQOPNJNCY-GUTXKFCHSA-N 0 3 397.928 3.529 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000462503019 855950716 /nfs/dbraw/zinc/95/07/16/855950716.db2.gz QJDJWVUXAIGVHI-FXAWDEMLSA-N 0 3 383.492 3.800 20 5 GHBDHN CCOc1ccc([C@H](C)NCCNc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000153887719 856722411 /nfs/dbraw/zinc/72/24/11/856722411.db2.gz PZTGOJDPKNROKC-NSHDSACASA-N 0 3 399.373 3.565 20 5 GHBDHN C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC001128189825 857187133 /nfs/dbraw/zinc/18/71/33/857187133.db2.gz RWAOPLKMJFTAID-VBKZILBWSA-N 0 3 389.883 3.988 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000173970481 857188115 /nfs/dbraw/zinc/18/81/15/857188115.db2.gz WCNRNEUUWYFFDI-OAHLLOKOSA-N 0 3 387.402 3.526 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000520853109 857299668 /nfs/dbraw/zinc/29/96/68/857299668.db2.gz YTQFFZVLHMBGPG-FQEVSTJZSA-N 0 3 382.464 3.510 20 5 GHBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000301711925 857356485 /nfs/dbraw/zinc/35/64/85/857356485.db2.gz ICGJFVYKHRDXCZ-CHWSQXEVSA-N 0 3 386.290 3.659 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000520900388 857388524 /nfs/dbraw/zinc/38/85/24/857388524.db2.gz QHQACJLBFCIMNQ-UHFFFAOYSA-N 0 3 382.464 3.727 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000027145585 857517584 /nfs/dbraw/zinc/51/75/84/857517584.db2.gz GKVSXBBPBSFCTH-IBGZPJMESA-N 0 3 387.505 3.668 20 5 GHBDHN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)Cc1ccc(OC)cc1 ZINC000066885690 858335954 /nfs/dbraw/zinc/33/59/54/858335954.db2.gz HJXAMHWTFPVRBM-OAHLLOKOSA-N 0 3 386.448 3.923 20 5 GHBDHN COc1cc(CN[C@@H](C)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000521832636 858349858 /nfs/dbraw/zinc/34/98/58/858349858.db2.gz HYSCDQMLZYJEPX-AAEUAGOBSA-N 0 3 392.374 3.592 20 5 GHBDHN CC(C)(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@]1(O)CCCOC1 ZINC000595107306 858407132 /nfs/dbraw/zinc/40/71/32/858407132.db2.gz XCINIJFZEVYXMP-UNMCSNQZSA-N 0 3 384.476 3.842 20 5 GHBDHN Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H](F)[C@H](N)C3)cc2[N+](=O)[O-])cc1 ZINC000595260657 858457054 /nfs/dbraw/zinc/45/70/54/858457054.db2.gz HLTMFFNDZBEOQK-HZPDHXFCSA-N 0 3 389.452 3.566 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1C(F)(F)F ZINC000301885814 858496563 /nfs/dbraw/zinc/49/65/63/858496563.db2.gz PLKLTIOISNQHMF-CVEARBPZSA-N 0 3 395.381 3.661 20 5 GHBDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2onc(C)c2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595369399 858518840 /nfs/dbraw/zinc/51/88/40/858518840.db2.gz FEDGIOCRBPCMMY-AYIQCDPPSA-N 0 3 392.500 3.575 20 5 GHBDHN COc1cccc([C@@H]2[C@@H](NCc3ccc(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000595475941 858541890 /nfs/dbraw/zinc/54/18/90/858541890.db2.gz KWAMSLBBFOAZJS-PZJWPPBQSA-N 0 3 385.439 3.810 20 5 GHBDHN CC(C)(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000429262384 858850799 /nfs/dbraw/zinc/85/07/99/858850799.db2.gz IMYHIEFVDLQGBW-LJQANCHMSA-N 0 3 383.492 3.711 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCOC2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000922930022 858863149 /nfs/dbraw/zinc/86/31/49/858863149.db2.gz BVRBJMJMCOTULN-UHFFFAOYSA-N 0 3 390.411 3.811 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000068192341 858928226 /nfs/dbraw/zinc/92/82/26/858928226.db2.gz VCHVLBXRVRTZTA-UHFFFAOYSA-N 0 3 379.526 3.899 20 5 GHBDHN CCOc1cc(N2CCN([C@H](CCOC)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000482895457 858957955 /nfs/dbraw/zinc/95/79/55/858957955.db2.gz FAWCHZSYORNCPX-HXUWFJFHSA-N 0 3 399.491 3.893 20 5 GHBDHN Cc1c(NC(=O)N(C)CCN2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000593205264 858963975 /nfs/dbraw/zinc/96/39/75/858963975.db2.gz DYOYDZLJLZZNRZ-UHFFFAOYSA-N 0 3 399.289 3.615 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000543632729 859126984 /nfs/dbraw/zinc/12/69/84/859126984.db2.gz XPRWIEWYIWQQTH-UHFFFAOYSA-N 0 3 379.258 3.699 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000764234035 859315335 /nfs/dbraw/zinc/31/53/35/859315335.db2.gz ODTCFIBCUCHHEG-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN COc1cc(CNC[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000597222760 859373577 /nfs/dbraw/zinc/37/35/77/859373577.db2.gz HNDHCCLODGJBAF-ZDUSSCGKSA-N 0 3 380.338 3.628 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000601620847 859382636 /nfs/dbraw/zinc/38/26/36/859382636.db2.gz LOVUKYDQDCZPTD-LBPRGKRZSA-N 0 3 375.400 3.546 20 5 GHBDHN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000060543878 859487263 /nfs/dbraw/zinc/48/72/63/859487263.db2.gz NSJNTBWNZMPPRT-QFBILLFUSA-N 0 3 397.475 3.901 20 5 GHBDHN Cc1cc(NCCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000323445761 860033355 /nfs/dbraw/zinc/03/33/55/860033355.db2.gz AINNPIINYNGRIJ-UHFFFAOYSA-N 0 3 376.214 3.523 20 5 GHBDHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092707700 860109130 /nfs/dbraw/zinc/10/91/30/860109130.db2.gz SHNGOGBFJIVVKL-INIZCTEOSA-N 0 3 385.464 3.983 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000054224027 860136268 /nfs/dbraw/zinc/13/62/68/860136268.db2.gz DZHLGRSJYKQBRQ-WBVHZDCISA-N 0 3 385.489 3.639 20 5 GHBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000598259964 860181314 /nfs/dbraw/zinc/18/13/14/860181314.db2.gz HFYDUBJVDOIMIX-MRXNPFEDSA-N 0 3 382.464 3.507 20 5 GHBDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000093613709 860317040 /nfs/dbraw/zinc/31/70/40/860317040.db2.gz FOSMTPIDRIOAGC-VQTJNVASSA-N 0 3 386.448 3.607 20 5 GHBDHN O=C(CN[C@@H](CC1CCC1)c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481292056 860979820 /nfs/dbraw/zinc/97/98/20/860979820.db2.gz YGRSWJHNIGWCFB-INIZCTEOSA-N 0 3 397.431 3.783 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC(c3ccc4cccnc4n3)CC2)cc1 ZINC000594019073 863755976 /nfs/dbraw/zinc/75/59/76/863755976.db2.gz FMWUZEMGVGUORY-UHFFFAOYSA-N 0 3 378.432 3.796 20 5 GHBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1ncnn1-c1ccccc1 ZINC000475264462 864658855 /nfs/dbraw/zinc/65/88/55/864658855.db2.gz FWEXOEQLYUTQQT-APWZRJJASA-N 0 3 377.448 3.677 20 5 GHBDHN C[C@@H](O)[C@@](C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000480478984 864703059 /nfs/dbraw/zinc/70/30/59/864703059.db2.gz SRPBOBWEIFHRAA-JLTOFOAXSA-N 0 3 394.418 3.916 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475288233 864719482 /nfs/dbraw/zinc/71/94/82/864719482.db2.gz XVPWWGJCXXSQHJ-XLIONFOSSA-N 0 3 396.491 3.880 20 5 GHBDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000738054033 865488782 /nfs/dbraw/zinc/48/87/82/865488782.db2.gz FKFVCRKENXVANC-SJLPKXTDSA-N 0 3 377.448 3.997 20 5 GHBDHN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248741690 865684577 /nfs/dbraw/zinc/68/45/77/865684577.db2.gz MHVSKDCBSGOUFE-FRQCXROJSA-N 0 3 383.448 3.679 20 5 GHBDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000183154080 866284267 /nfs/dbraw/zinc/28/42/67/866284267.db2.gz PZBYYQOEVRWPED-GJZGRUSLSA-N 0 3 393.447 3.767 20 5 GHBDHN COc1ccc(C[C@@H]2CCCN(Cn3ncc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC000742155925 867107778 /nfs/dbraw/zinc/10/77/78/867107778.db2.gz OGUNAQSRLBCOBP-KRWDZBQOSA-N 0 3 380.448 3.865 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000534699811 867280710 /nfs/dbraw/zinc/28/07/10/867280710.db2.gz GECNFRAVMYTRIB-UHFFFAOYSA-N 0 3 382.464 3.817 20 5 GHBDHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000444925369 867469241 /nfs/dbraw/zinc/46/92/41/867469241.db2.gz SYMZGXVZVJNPQR-GOSISDBHSA-N 0 3 398.463 3.732 20 5 GHBDHN CSc1nnc(CCCNCc2ccc([N+](=O)[O-])cc2Cl)n1CC(C)C ZINC000183749941 867668021 /nfs/dbraw/zinc/66/80/21/867668021.db2.gz FAQXLKGJBSTZRK-UHFFFAOYSA-N 0 3 397.932 3.940 20 5 GHBDHN C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000920458205 882116838 /nfs/dbraw/zinc/11/68/38/882116838.db2.gz FBLQIBGYYJYTEQ-KRWDZBQOSA-N 0 3 396.491 3.811 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C[C@H]2CCOC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000248791340 868095585 /nfs/dbraw/zinc/09/55/85/868095585.db2.gz XODSIHYXEDZCEX-SQGPQFPESA-N 0 3 397.475 3.988 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000487512270 868391294 /nfs/dbraw/zinc/39/12/94/868391294.db2.gz SSSNKNWIVAHINY-OAHLLOKOSA-N 0 3 387.505 3.957 20 5 GHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000519931421 868569262 /nfs/dbraw/zinc/56/92/62/868569262.db2.gz OGYNHAUYVOKXMD-UHFFFAOYSA-N 0 3 386.477 3.830 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000744109319 868586895 /nfs/dbraw/zinc/58/68/95/868586895.db2.gz ZQRRQJSQNNUOLG-FLIBITNWSA-N 0 3 387.867 3.852 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000554014706 868624752 /nfs/dbraw/zinc/62/47/52/868624752.db2.gz FHYLURLUHSQOMF-IBGZPJMESA-N 0 3 389.427 3.554 20 5 GHBDHN CO[C@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594954450 869574845 /nfs/dbraw/zinc/57/48/45/869574845.db2.gz LOOMTDRKJGJHJE-FOIQADDNSA-N 0 3 390.411 3.667 20 5 GHBDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617742718 870821606 /nfs/dbraw/zinc/82/16/06/870821606.db2.gz UKNCVQAFFLRNFH-ZWKOTPCHSA-N 0 3 381.476 3.821 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765309 870844295 /nfs/dbraw/zinc/84/42/95/870844295.db2.gz PWSJLVRIJXIDDJ-DYESRHJHSA-N 0 3 383.492 3.971 20 5 GHBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2coc(-c3cccc(Br)c3)n2)C1 ZINC001169001956 871088963 /nfs/dbraw/zinc/08/89/63/871088963.db2.gz IQHQVXLYKOUQHK-SMDDNHRTSA-N 0 3 380.242 3.639 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(c(Br)c1)OCO2 ZINC001193743701 871259788 /nfs/dbraw/zinc/25/97/88/871259788.db2.gz RGXKHNBAGLELPI-UHFFFAOYSA-N 0 3 393.237 3.761 20 5 GHBDHN Cc1ccc(S(=O)(=O)CCCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181816021 871505062 /nfs/dbraw/zinc/50/50/62/871505062.db2.gz SVGZQMRTKNELTA-MRXNPFEDSA-N 0 3 376.478 3.726 20 5 GHBDHN NCc1ccc2c(n1)N(c1ccc([N+](=O)[O-])c(OCc3ccccc3)n1)CCC2 ZINC001169589884 871649923 /nfs/dbraw/zinc/64/99/23/871649923.db2.gz CRWJRAYFOWRAEH-UHFFFAOYSA-N 0 3 391.431 3.507 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462182811 871785053 /nfs/dbraw/zinc/78/50/53/871785053.db2.gz QJWFXNHWUHNQDP-UCNVEGJOSA-N 0 3 395.503 3.800 20 5 GHBDHN COc1ccc(CN(C)C[C@@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128119571 871990905 /nfs/dbraw/zinc/99/09/05/871990905.db2.gz DSSKUIXNCUGKCX-IBGZPJMESA-N 0 3 386.448 3.793 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4cccc(Cl)c4)CC3)nc2c1 ZINC000460356271 872944368 /nfs/dbraw/zinc/94/43/68/872944368.db2.gz ZHUBGHRIXQISTB-UHFFFAOYSA-N 0 3 385.855 3.837 20 5 GHBDHN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000541784471 874259232 /nfs/dbraw/zinc/25/92/32/874259232.db2.gz NKYHMKAOSIJXDB-OAHLLOKOSA-N 0 3 386.427 3.862 20 5 GHBDHN C[C@](CO)(Cc1ccccc1F)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001198218755 874278897 /nfs/dbraw/zinc/27/88/97/874278897.db2.gz KECCZLSSCCYYNG-QGZVFWFLSA-N 0 3 397.244 3.580 20 5 GHBDHN C[C@@H](CCN(C)Cc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000770148700 874500572 /nfs/dbraw/zinc/50/05/72/874500572.db2.gz IYOIOPZHJPSTCS-INIZCTEOSA-N 0 3 386.452 3.845 20 5 GHBDHN C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785582407 876109473 /nfs/dbraw/zinc/10/94/73/876109473.db2.gz ZDQJWZYRTVHJQH-ZSEKCTLFSA-N 0 3 396.399 3.795 20 5 GHBDHN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785582765 876111129 /nfs/dbraw/zinc/11/11/29/876111129.db2.gz GFABCUGVMWKHAV-ZSEKCTLFSA-N 0 3 396.399 3.795 20 5 GHBDHN C/C=C/c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000451107462 877366259 /nfs/dbraw/zinc/36/62/59/877366259.db2.gz RSWDZERGTZLFLH-UPILZFLTSA-N 0 3 386.448 3.727 20 5 GHBDHN COc1ccc(COC(=O)C2(C)CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000772713544 877853304 /nfs/dbraw/zinc/85/33/04/877853304.db2.gz ZGRDWPHIPHPIJP-UHFFFAOYSA-N 0 3 398.459 3.949 20 5 GHBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000152396071 878000038 /nfs/dbraw/zinc/00/00/38/878000038.db2.gz QPWJBLSTWSAXBO-JOCHJYFZSA-N 0 3 378.428 3.997 20 5 GHBDHN CC(C)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000852732203 878563288 /nfs/dbraw/zinc/56/32/88/878563288.db2.gz RVEICXVHUFOSCQ-RBUKOAKNSA-N 0 3 391.855 3.535 20 5 GHBDHN CCOC(=O)c1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc([N+](=O)[O-])c1 ZINC000530871517 878676356 /nfs/dbraw/zinc/67/63/56/878676356.db2.gz KVGHLLOLOYSPNS-UHFFFAOYSA-N 0 3 396.403 3.550 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000538234511 879093564 /nfs/dbraw/zinc/09/35/64/879093564.db2.gz RHSYBNYOHWNQLV-SJLPKXTDSA-N 0 3 383.448 3.599 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCCOc2cccc(C(F)(F)F)n2)cc1Cl ZINC000761526040 879247405 /nfs/dbraw/zinc/24/74/05/879247405.db2.gz GTBUUDFZJRBYAB-UHFFFAOYSA-N 0 3 375.734 3.831 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000617404981 879713447 /nfs/dbraw/zinc/71/34/47/879713447.db2.gz DZJMWTQBTAJWAQ-LJQANCHMSA-N 0 3 383.448 3.560 20 5 GHBDHN C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000790557631 879813884 /nfs/dbraw/zinc/81/38/84/879813884.db2.gz BKLHTXXHSPIVMA-CYBMUJFWSA-N 0 3 393.846 3.567 20 5 GHBDHN CN(C)CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000790879922 880045276 /nfs/dbraw/zinc/04/52/76/880045276.db2.gz XZGIOURISONWNJ-UHFFFAOYSA-N 0 3 385.867 3.653 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000609640152 883466313 /nfs/dbraw/zinc/46/63/13/883466313.db2.gz XMZKLAWUNJJVSR-FQEVSTJZSA-N 0 3 396.491 3.963 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN(CCCc3cccc4ccccc43)CC2)cn1 ZINC000609894507 883806502 /nfs/dbraw/zinc/80/65/02/883806502.db2.gz XZIPQOAPLRVKRF-UHFFFAOYSA-N 0 3 376.460 3.898 20 5 GHBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000498377287 884219414 /nfs/dbraw/zinc/21/94/14/884219414.db2.gz YGPMELBXLDNJQR-HOCLYGCPSA-N 0 3 377.828 3.513 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000494966173 884300762 /nfs/dbraw/zinc/30/07/62/884300762.db2.gz LXWSZZCTZIWOOZ-INIZCTEOSA-N 0 3 377.510 3.652 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC34CC(O)C4)o2)c(Br)c1 ZINC000897850587 884490086 /nfs/dbraw/zinc/49/00/86/884490086.db2.gz KCXTZDOIVNULBK-PCHQZIJMSA-N 0 3 393.237 3.620 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000807694633 885641470 /nfs/dbraw/zinc/64/14/70/885641470.db2.gz JBKNKJHEYSNWPM-UHFFFAOYSA-N 0 3 398.301 3.695 20 5 GHBDHN CN1CC[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccccc1 ZINC000550684942 885894066 /nfs/dbraw/zinc/89/40/66/885894066.db2.gz TZXVMWZKWPDQGX-PMACEKPBSA-N 0 3 378.432 3.785 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915170182 885934844 /nfs/dbraw/zinc/93/48/44/885934844.db2.gz LCSARBIFSFGAGZ-XFXZXTDPSA-N 0 3 379.460 3.651 20 5 GHBDHN CN(C)CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000193789572 887507031 /nfs/dbraw/zinc/50/70/31/887507031.db2.gz MKGWQYCBHGOJGD-UHFFFAOYSA-N 0 3 388.512 3.532 20 5 GHBDHN Cc1ccc([C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000272471512 887556380 /nfs/dbraw/zinc/55/63/80/887556380.db2.gz AKMFMYCAGWGKBN-RTWAWAEBSA-N 0 3 393.491 3.619 20 5 GHBDHN O=[N+]([O-])c1cc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1Cl ZINC000810019687 888087448 /nfs/dbraw/zinc/08/74/48/888087448.db2.gz ONCVDEZMTREBDY-KRWDZBQOSA-N 0 3 376.840 3.918 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCO[C@H](c2ccccc2)C1 ZINC000609234498 888261835 /nfs/dbraw/zinc/26/18/35/888261835.db2.gz SJCJJCHFXLOWKD-FQEVSTJZSA-N 0 3 383.448 3.695 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1Br ZINC000796110680 913286810 /nfs/dbraw/zinc/28/68/10/913286810.db2.gz BATKASLKANJESJ-KRWDZBQOSA-N 0 3 379.254 3.565 20 5 GHBDHN COc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3[C@@H](N)C2(C)C)cc1SC ZINC000867989846 889248902 /nfs/dbraw/zinc/24/89/02/889248902.db2.gz FSRUBSSJPVRBMW-QGZVFWFLSA-N 0 3 387.461 3.764 20 5 GHBDHN Cc1ccoc1C(=O)NCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481475 889633053 /nfs/dbraw/zinc/63/30/53/889633053.db2.gz CHECJFFANDROGN-UHFFFAOYSA-N 0 3 386.235 3.713 20 5 GHBDHN C[C@H]1CN(C(C)(C)CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000811472940 889657566 /nfs/dbraw/zinc/65/75/66/889657566.db2.gz MZXWZQSHFLMIOY-RYUDHWBXSA-N 0 3 390.311 3.879 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454969207 890078864 /nfs/dbraw/zinc/07/88/64/890078864.db2.gz YVYLWAYHOVPWOB-YRNRMSPPSA-N 0 3 382.464 3.618 20 5 GHBDHN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533429137 890540934 /nfs/dbraw/zinc/54/09/34/890540934.db2.gz NGGJOQMIGWDKDU-XWIAVFTESA-N 0 3 395.887 3.712 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001133442202 890960229 /nfs/dbraw/zinc/96/02/29/890960229.db2.gz YCDBCWWXCXFXRW-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN CC(C)(CCc1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1)[N+](=O)[O-] ZINC000812813665 890973712 /nfs/dbraw/zinc/97/37/12/890973712.db2.gz PCTDOVRPYJYCPV-HNNXBMFYSA-N 0 3 376.432 3.576 20 5 GHBDHN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)CNC4)cc2[N+](=O)[O-])C1 ZINC000562979957 893241937 /nfs/dbraw/zinc/24/19/37/893241937.db2.gz XYSBVTTYBOZHAK-CQSZACIVSA-N 0 3 380.448 3.687 20 5 GHBDHN CN(CCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)Cc1ccccc1 ZINC001185290556 913782945 /nfs/dbraw/zinc/78/29/45/913782945.db2.gz JJRAMHIOIPKBJF-UHFFFAOYSA-N 0 3 388.899 3.502 20 5 GHBDHN COc1ccc(OCCN2CCC3(CC2)OCCc2ccccc23)c([N+](=O)[O-])c1 ZINC000459509001 893702956 /nfs/dbraw/zinc/70/29/56/893702956.db2.gz AZWPFSZPZQTCDF-UHFFFAOYSA-N 0 3 398.459 3.546 20 5 GHBDHN COc1ccccc1[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609280852 893874547 /nfs/dbraw/zinc/87/45/47/893874547.db2.gz QSLKNLZCUIIOJW-YLJYHZDGSA-N 0 3 386.448 3.570 20 5 GHBDHN C[C@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000537074472 894297011 /nfs/dbraw/zinc/29/70/11/894297011.db2.gz ITQGSYWGHHUZFH-NHYWBVRUSA-N 0 3 385.247 3.992 20 5 GHBDHN O=C(Nc1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1)C1CCCC1 ZINC000818971237 896330580 /nfs/dbraw/zinc/33/05/80/896330580.db2.gz ZZMBQPICDJHOKU-FQEVSTJZSA-N 0 3 383.448 3.547 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000509511651 898156476 /nfs/dbraw/zinc/15/64/76/898156476.db2.gz XLBLBZFDEVORQJ-GOEBONIOSA-N 0 3 378.432 3.641 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC001136609323 898528207 /nfs/dbraw/zinc/52/82/07/898528207.db2.gz GEMXKRFMNVUBFA-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CCC(CC)Nc1ccncc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000569970351 899049269 /nfs/dbraw/zinc/04/92/69/899049269.db2.gz LZKIBYFMKFNMGT-UHFFFAOYSA-N 0 3 395.419 3.518 20 5 GHBDHN Cn1nccc1[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000825046229 899950680 /nfs/dbraw/zinc/95/06/80/899950680.db2.gz RDJONUUJBDZHCZ-SWLSCSKDSA-N 0 3 385.251 3.645 20 5 GHBDHN Cc1cc([C@H](N)CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(Cl)n1 ZINC000844204034 900595622 /nfs/dbraw/zinc/59/56/22/900595622.db2.gz LFHHHMIXXYLFCE-QGZVFWFLSA-N 0 3 388.855 3.533 20 5 GHBDHN COC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000573879118 900679761 /nfs/dbraw/zinc/67/97/61/900679761.db2.gz RIXZBQSWQFQUSO-MRXNPFEDSA-N 0 3 380.828 3.613 20 5 GHBDHN CC([C@@H](OC(=O)c1cc(Cl)nc(N(C)C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845873731 902475336 /nfs/dbraw/zinc/47/53/36/902475336.db2.gz FPDPKYWWMPRCTC-QLJPJBMISA-N 0 3 381.791 3.503 20 5 GHBDHN CCCNC(=O)c1cccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845874652 902476819 /nfs/dbraw/zinc/47/68/19/902476819.db2.gz IFCCRXJFSKRFNB-SCLBCKFNSA-N 0 3 388.395 3.529 20 5 GHBDHN CC([C@H](OC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874446 902476959 /nfs/dbraw/zinc/47/69/59/902476959.db2.gz IPUHDYBYRALGJE-YJYMSZOUSA-N 0 3 386.379 3.516 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845876707 902480551 /nfs/dbraw/zinc/48/05/51/902480551.db2.gz OAHJGOKIVMYRFT-XJKCOSOUSA-N 0 3 398.431 3.578 20 5 GHBDHN CC([C@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845878858 902482382 /nfs/dbraw/zinc/48/23/82/902482382.db2.gz WHELYBLPQYULRX-DIFFPNOSSA-N 0 3 383.322 3.919 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000152621196 904286710 /nfs/dbraw/zinc/28/67/10/904286710.db2.gz DECQMAJGCTYDAO-CABCVRRESA-N 0 3 381.436 3.986 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000779160240 904921648 /nfs/dbraw/zinc/92/16/48/904921648.db2.gz GLDGRJMBQNIRPM-OJJSLQOQSA-N 0 3 375.469 3.843 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001173220808 906297981 /nfs/dbraw/zinc/29/79/81/906297981.db2.gz CQVAGGIKBITGJB-HOTGVXAUSA-N 0 3 377.485 3.715 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001173223118 906302949 /nfs/dbraw/zinc/30/29/49/906302949.db2.gz YARIGJFMEXVNAU-JKSUJKDBSA-N 0 3 377.485 3.857 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001173224240 906305317 /nfs/dbraw/zinc/30/53/17/906305317.db2.gz DCSHAOZTIHYRRF-QAPCUYQASA-N 0 3 377.485 3.905 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001173233432 906320671 /nfs/dbraw/zinc/32/06/71/906320671.db2.gz WNOMMNPRETWAHS-RVKKMQEKSA-N 0 3 377.485 3.903 20 5 GHBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000191093231 906598026 /nfs/dbraw/zinc/59/80/26/906598026.db2.gz VMECBXAUSBFPSU-UHFFFAOYSA-N 0 3 386.452 3.508 20 5 GHBDHN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001175821625 907778226 /nfs/dbraw/zinc/77/82/26/907778226.db2.gz MCRONBNBBLSLLS-OAHLLOKOSA-N 0 3 389.402 3.740 20 5 GHBDHN COC(=O)c1ccc(OCCN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001176028404 907893675 /nfs/dbraw/zinc/89/36/75/907893675.db2.gz MQONWYUURFWPNC-GFCCVEGCSA-N 0 3 378.812 3.764 20 5 GHBDHN CCCC[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001178123314 908920569 /nfs/dbraw/zinc/92/05/69/908920569.db2.gz PYZFFWGEJCSGLH-OAHLLOKOSA-N 0 3 381.473 3.777 20 5 GHBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267409264 909486806 /nfs/dbraw/zinc/48/68/06/909486806.db2.gz ZFEGVZFCRCRBLH-CYBMUJFWSA-N 0 3 393.896 3.952 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccnc(C(F)(F)F)c1 ZINC000295127701 917157763 /nfs/dbraw/zinc/15/77/63/917157763.db2.gz XOYGMNARXMUZDC-LLVKDONJSA-N 0 3 382.342 3.516 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1Cc1ccccc1Cl ZINC001190541322 917398877 /nfs/dbraw/zinc/39/88/77/917398877.db2.gz OYYISLNWGAKMTK-IAGOWNOFSA-N 0 3 390.867 3.695 20 5 GHBDHN COc1ccc(CN(CCn2c(C)ncc2[N+](=O)[O-])Cc2ccccc2)cc1 ZINC001191646452 918115825 /nfs/dbraw/zinc/11/58/25/918115825.db2.gz NHMAISQYJCWFFD-UHFFFAOYSA-N 0 3 380.448 3.811 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC[C@@H]3CCCO3)o2)c(Cl)c1 ZINC000115625523 919461161 /nfs/dbraw/zinc/46/11/61/919461161.db2.gz QICITXXNSDZDPL-HNNXBMFYSA-N 0 3 380.828 3.793 20 5 GHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000410046632 925271531 /nfs/dbraw/zinc/27/15/31/925271531.db2.gz DEOWFXCEXADXLK-FQEVSTJZSA-N 0 3 381.476 3.798 20 5 GHBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000410464603 925662225 /nfs/dbraw/zinc/66/22/25/925662225.db2.gz HKEDQPNQZMMDIX-AWEZNQCLSA-N 0 3 393.365 3.747 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000411304702 926287404 /nfs/dbraw/zinc/28/74/04/926287404.db2.gz WRHPJFBFYJSULA-RHSMWYFYSA-N 0 3 387.436 3.998 20 5 GHBDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000726605198 926758603 /nfs/dbraw/zinc/75/86/03/926758603.db2.gz KCVXMWKYCUQTPI-HKFHZZIHSA-N 0 3 381.476 3.677 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H](O)c3cccc(F)c3)o2)c([N+](=O)[O-])c1 ZINC000726607081 926761294 /nfs/dbraw/zinc/76/12/94/926761294.db2.gz ONGLQIGNLVEJGK-LJQANCHMSA-N 0 3 386.379 3.826 20 5 GHBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NCc1ccccc1 ZINC000726607126 926761472 /nfs/dbraw/zinc/76/14/72/926761472.db2.gz PXLANAMYZWNFBL-UHFFFAOYSA-N 0 3 381.457 3.729 20 5 GHBDHN COc1ccc(OC)c(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000750092517 927430902 /nfs/dbraw/zinc/43/09/02/927430902.db2.gz NOAKJBLEFLEVEO-IBGZPJMESA-N 0 3 388.464 3.946 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c2ccccc2)c1 ZINC000374792812 927528138 /nfs/dbraw/zinc/52/81/38/927528138.db2.gz LRVQPHACWYNXQY-KSEOMHKRSA-N 0 3 396.487 3.842 20 5 GHBDHN CN1CCN(Cc2ccc(CNc3nccc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000413060676 928154707 /nfs/dbraw/zinc/15/47/07/928154707.db2.gz NZKQHQBZXFTWMT-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000467691386 929307421 /nfs/dbraw/zinc/30/74/21/929307421.db2.gz NQSOTDKBJJJMQE-YLJYHZDGSA-N 0 3 396.491 3.566 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000467717223 929334272 /nfs/dbraw/zinc/33/42/72/929334272.db2.gz ZTYIHOOZNWSCHK-KUHUBIRLSA-N 0 3 381.432 3.600 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467719683 929336194 /nfs/dbraw/zinc/33/61/94/929336194.db2.gz DSJYOROQZFTJPW-IFXJQAMLSA-N 0 3 380.448 3.551 20 5 GHBDHN CN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758264455 929993950 /nfs/dbraw/zinc/99/39/50/929993950.db2.gz HNBTUGNKANYHDT-FXAWDEMLSA-N 0 3 384.411 3.893 20 5 GHBDHN CN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000758264457 929994159 /nfs/dbraw/zinc/99/41/59/929994159.db2.gz HNBTUGNKANYHDT-XLIONFOSSA-N 0 3 384.411 3.893 20 5 GHBDHN CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546904652 930521143 /nfs/dbraw/zinc/52/11/43/930521143.db2.gz AMJBWQTZMVNYTP-QGZVFWFLSA-N 0 3 392.459 3.813 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccccc1SC ZINC000470990655 931081187 /nfs/dbraw/zinc/08/11/87/931081187.db2.gz BAUPIRNSFBWUDM-UHFFFAOYSA-N 0 3 389.477 3.786 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1OC ZINC000782532593 931260723 /nfs/dbraw/zinc/26/07/23/931260723.db2.gz XKZZDWPGFDXICZ-MRXNPFEDSA-N 0 3 375.400 3.812 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000557206350 931271865 /nfs/dbraw/zinc/27/18/65/931271865.db2.gz NZNKORWHZKABSL-UWJYYQICSA-N 0 3 399.491 3.591 20 5 GHBDHN CC(C)NC(=O)c1ccc(NC[C@@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000557576801 931554820 /nfs/dbraw/zinc/55/48/20/931554820.db2.gz POBFQDQMLNWQLJ-IBGZPJMESA-N 0 3 388.443 3.587 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000784512944 931920282 /nfs/dbraw/zinc/92/02/82/931920282.db2.gz WWDLSQAPYJLWCO-DJIMGWMZSA-N 0 3 375.469 3.720 20 5 GHBDHN O=C(CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000558740281 932204607 /nfs/dbraw/zinc/20/46/07/932204607.db2.gz XRAJASWYWWCRIB-ACDBMABISA-N 0 3 391.471 3.895 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000797475353 932296899 /nfs/dbraw/zinc/29/68/99/932296899.db2.gz SOYAUVODKFJTBI-UHFFFAOYSA-N 0 3 384.432 3.559 20 5 GHBDHN COc1cc(CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000799202326 932914352 /nfs/dbraw/zinc/91/43/52/932914352.db2.gz PPQKTYDXUVXWHJ-INIZCTEOSA-N 0 3 381.473 3.632 20 5 GHBDHN CO[C@H](CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC001118630184 934213059 /nfs/dbraw/zinc/21/30/59/934213059.db2.gz YTDBTORACKZNHS-KZULUSFZSA-N 0 3 380.828 3.649 20 5 GHBDHN Cc1c(CC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000561652394 934338507 /nfs/dbraw/zinc/33/85/07/934338507.db2.gz YYAZJEHKWDBJRR-OAQYLSRUSA-N 0 3 399.491 3.652 20 5 GHBDHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544845724 1015092308 /nfs/dbraw/zinc/09/23/08/1015092308.db2.gz JFVWGWKCZWIDBK-QGZVFWFLSA-N 0 3 386.427 3.862 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545828504 1016467235 /nfs/dbraw/zinc/46/72/35/1016467235.db2.gz YAMKYKLJNKPHBU-NVXWUHKLSA-N 0 3 399.466 3.963 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000470173444 1016742121 /nfs/dbraw/zinc/74/21/21/1016742121.db2.gz LKWZEGQDULHQFS-CLEQQJOVSA-N 0 3 385.508 3.969 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000470173448 1016742471 /nfs/dbraw/zinc/74/24/71/1016742471.db2.gz LKWZEGQDULHQFS-NAVNFMRLSA-N 0 3 385.508 3.969 20 5 GHBDHN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470679845 1016853706 /nfs/dbraw/zinc/85/37/06/1016853706.db2.gz BHCLJAOBHSYLMW-GOSISDBHSA-N 0 3 392.459 3.813 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470824726 1016901566 /nfs/dbraw/zinc/90/15/66/1016901566.db2.gz HVUJWDSGDPKETB-ZOBUZTSGSA-N 0 3 392.500 3.965 20 5 GHBDHN COC(=O)c1cccc(O[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001227894193 1032674288 /nfs/dbraw/zinc/67/42/88/1032674288.db2.gz KTCZEWASCLZOKG-DNVCBOLYSA-N 0 3 384.432 3.671 20 5 GHBDHN CN(Cc1ccc(OCC(F)(F)F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796104245 1021108588 /nfs/dbraw/zinc/10/85/88/1021108588.db2.gz GPEXMBJIZRGGKD-QGZVFWFLSA-N 0 3 384.354 3.701 20 5 GHBDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000755121588 1023082449 /nfs/dbraw/zinc/08/24/49/1023082449.db2.gz QPVIPFBCKQSSSX-SYTFOFBDSA-N 0 3 389.839 3.730 20 5 GHBDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000755223694 1023139469 /nfs/dbraw/zinc/13/94/69/1023139469.db2.gz RIBFXTLOPYZMOP-ZDUSSCGKSA-N 0 3 375.425 3.858 20 5 GHBDHN C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1 ZINC000756935868 1023874995 /nfs/dbraw/zinc/87/49/95/1023874995.db2.gz BDLQEQCADUYOMO-AWEZNQCLSA-N 0 3 390.871 3.568 20 5 GHBDHN CC(C)[C@@H](NCc1cccc([N+](=O)[O-])c1Br)C1(CO)CC=CC1 ZINC000830512392 1023962357 /nfs/dbraw/zinc/96/23/57/1023962357.db2.gz BISAYFOHAXFJPA-MRXNPFEDSA-N 0 3 383.286 3.800 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000831314127 1024488780 /nfs/dbraw/zinc/48/87/80/1024488780.db2.gz GGJPNVPAFVVRIO-IUIKQTSFSA-N 0 3 381.860 3.513 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)N(C)C)cc1 ZINC001141365754 1024733416 /nfs/dbraw/zinc/73/34/16/1024733416.db2.gz MJDJNKFPEVHPNL-LJQANCHMSA-N 0 3 387.505 3.966 20 5 GHBDHN C[C@@H](N)c1nc2ccccc2n1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001162767219 1025911125 /nfs/dbraw/zinc/91/11/25/1025911125.db2.gz USTDSNFKUSCMOZ-MRVPVSSYSA-N 0 3 379.189 3.855 20 5 GHBDHN CN(C)C1(C)CN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])C1 ZINC001165121742 1026617458 /nfs/dbraw/zinc/61/74/58/1026617458.db2.gz LCQIJNPERMJGJV-UHFFFAOYSA-N 0 3 392.459 3.862 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001217146225 1030195546 /nfs/dbraw/zinc/19/55/46/1030195546.db2.gz CHKHOHIXGYIERY-OAHLLOKOSA-N 0 3 386.452 3.636 20 5 GHBDHN Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CNCCC2(F)F)c1Br ZINC001218454289 1030943364 /nfs/dbraw/zinc/94/33/64/1030943364.db2.gz QOVALGIZYHRLHL-SECBINFHSA-N 0 3 385.592 3.695 20 5 GHBDHN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)[C@@H]1CNC[C@@H](F)C1 ZINC001219207239 1031305301 /nfs/dbraw/zinc/30/53/01/1031305301.db2.gz CHVWKQZTILUWCJ-IRXDYDNUSA-N 0 3 380.467 3.649 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225888480 1031676530 /nfs/dbraw/zinc/67/65/30/1031676530.db2.gz BXIAVFKIHGERIS-FZKQIMNGSA-N 0 3 389.383 3.932 20 5 GHBDHN COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001229899363 1033782697 /nfs/dbraw/zinc/78/26/97/1033782697.db2.gz LXLNSSLUMSWIJW-YJBOKZPZSA-N 0 3 384.432 3.589 20 5 GHBDHN Cc1cccc(CN2CCO[C@@H](CNCc3ccc([N+](=O)[O-])c(Cl)c3)C2)c1 ZINC001207176006 1034147761 /nfs/dbraw/zinc/14/77/61/1034147761.db2.gz XIIFRLTUQHGYPH-SFHVURJKSA-N 0 3 389.883 3.547 20 5 GHBDHN COc1cccnc1[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001254472563 1040258638 /nfs/dbraw/zinc/25/86/38/1040258638.db2.gz DUTUXEDFBPJVCC-HXUWFJFHSA-N 0 3 382.464 3.708 20 5 GHBDHN CCCCCCOC(=O)CCC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539309 1040310251 /nfs/dbraw/zinc/31/02/51/1040310251.db2.gz CWVYAESDYBEDCN-MRXNPFEDSA-N 0 3 378.469 3.588 20 5 GHBDHN CCOC(=O)Cc1ccc2c(c1)CN([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254551439 1040319944 /nfs/dbraw/zinc/31/99/44/1040319944.db2.gz AYTXBQWFACXHMJ-MRXNPFEDSA-N 0 3 382.460 3.690 20 5 GHBDHN COc1cc(C)ccc1OC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609851 1040382401 /nfs/dbraw/zinc/38/24/01/1040382401.db2.gz ZLTQRSVNGNXEQK-LJQANCHMSA-N 0 3 382.460 3.922 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@@]1(C)CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612372 1040383882 /nfs/dbraw/zinc/38/38/82/1040383882.db2.gz VSUGXHPETBLRIQ-GHTZIAJQSA-N 0 3 389.496 3.689 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1Cl ZINC001294799869 1044797400 /nfs/dbraw/zinc/79/74/00/1044797400.db2.gz ABRDNMMDKUWEBZ-GDBMZVCRSA-N 0 3 387.867 3.949 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 ZINC001295089614 1044910420 /nfs/dbraw/zinc/91/04/20/1044910420.db2.gz OZNXQFDCXDHOEU-UHFFFAOYSA-N 0 3 379.420 3.607 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC001307743314 1049556356 /nfs/dbraw/zinc/55/63/56/1049556356.db2.gz DNHNLKVAIRQWAW-FHLIZLRMSA-N 0 3 375.469 3.639 20 5 GHBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(c2cc(Cl)cc(Br)c2)CC1 ZINC001308043706 1049793918 /nfs/dbraw/zinc/79/39/18/1049793918.db2.gz QTQNTOXQGWRDEO-UHFFFAOYSA-N 0 3 399.676 3.795 20 5 GHBDHN CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001308484839 1049987101 /nfs/dbraw/zinc/98/71/01/1049987101.db2.gz VLSHUDYZOSPQFW-MRXNPFEDSA-N 0 3 383.448 3.912 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H](C2CC2)[C@H]2CCCCO2)cc1Br ZINC001308842472 1050119696 /nfs/dbraw/zinc/11/96/96/1050119696.db2.gz UUGATRMMFPKKCB-OLZOCXBDSA-N 0 3 375.288 3.856 20 5 GHBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC[C@H]2N1 ZINC001330864942 1051132989 /nfs/dbraw/zinc/13/29/89/1051132989.db2.gz DFAATZLHSDODNH-BLLLJJGKSA-N 0 3 389.839 3.609 20 5 GHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001310799036 1051597696 /nfs/dbraw/zinc/59/76/96/1051597696.db2.gz AQFXQDCILMPKRA-HNNXBMFYSA-N 0 3 378.429 3.754 20 5 GHBDHN COC(=O)N1CCC[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001319835141 1055496482 /nfs/dbraw/zinc/49/64/82/1055496482.db2.gz VNOMMRAMFDCMFN-ZDUSSCGKSA-N 0 3 393.827 3.829 20 5 GHBDHN CN(C)[C@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1cccs1 ZINC001323542433 1056983337 /nfs/dbraw/zinc/98/33/37/1056983337.db2.gz HRODRMIWQRIUBD-CYBMUJFWSA-N 0 3 377.857 3.968 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001449354020 1060389022 /nfs/dbraw/zinc/38/90/22/1060389022.db2.gz IYUVIFPBODHHCT-LJQANCHMSA-N 0 3 375.513 3.888 20 5 GHBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455409769 1062133496 /nfs/dbraw/zinc/13/34/96/1062133496.db2.gz ALRATWJDYMHKAL-RTBURBONSA-N 0 3 380.448 3.647 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001435195242 1062376821 /nfs/dbraw/zinc/37/68/21/1062376821.db2.gz ONLIUTXIGKBHGQ-UNMCSNQZSA-N 0 3 395.503 3.944 20 5 GHBDHN Cc1c(Br)c(NCCN(C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001458229756 1063677463 /nfs/dbraw/zinc/67/74/63/1063677463.db2.gz LXRLTURUTLAINB-UHFFFAOYSA-N 0 3 397.248 3.744 20 5 GHBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001458426990 1063797967 /nfs/dbraw/zinc/79/79/67/1063797967.db2.gz KWLCLZHCMBYNAO-RBUKOAKNSA-N 0 3 395.438 3.548 20 5 GHBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001438572795 1064073416 /nfs/dbraw/zinc/07/34/16/1064073416.db2.gz DXWXITKMPOGSRM-FQEVSTJZSA-N 0 3 399.466 3.837 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001357631840 1067207221 /nfs/dbraw/zinc/20/72/21/1067207221.db2.gz RPIOSEFQULUCQU-XLIONFOSSA-N 0 3 393.487 3.968 20 5 GHBDHN CNc1c(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC001468068612 1067585672 /nfs/dbraw/zinc/58/56/72/1067585672.db2.gz WYUIAVQYRMBISN-UHFFFAOYSA-N 0 3 376.501 3.609 20 5 GHBDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001468068218 1067585822 /nfs/dbraw/zinc/58/58/22/1067585822.db2.gz NWBLUEBBLZKWHX-UHFFFAOYSA-N 0 3 396.919 3.803 20 5 GHBDHN C[C@@H](CN1CCC(C)CC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474626809 1067774271 /nfs/dbraw/zinc/77/42/71/1067774271.db2.gz SCGVDNOKXMZXIN-NSHDSACASA-N 0 3 376.320 3.629 20 5 GHBDHN C[C@]1(Cc2cccc(Br)c2)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC001460802932 1069189665 /nfs/dbraw/zinc/18/96/65/1069189665.db2.gz IOJUKDUWTLHDHQ-QGZVFWFLSA-N 0 3 393.285 3.651 20 5 GHBDHN O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CN(Cc3ccccc3)CCCO1)CCCC2 ZINC001472756173 1073652939 /nfs/dbraw/zinc/65/29/39/1073652939.db2.gz AVSNFVNYTKQHCN-LJQANCHMSA-N 0 3 396.491 3.572 20 5 GHBDHN CC(C)c1nnc(CC2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH]1 ZINC001473602497 1074041935 /nfs/dbraw/zinc/04/19/35/1074041935.db2.gz LAECYQUBBFAYRL-UHFFFAOYSA-N 0 3 377.876 3.944 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H](CNC(C)(C)c1ccccc1[N+](=O)[O-])CC(F)F ZINC001474161514 1074280396 /nfs/dbraw/zinc/28/03/96/1074280396.db2.gz VTDHLGQRUUYEOJ-GFCCVEGCSA-N 0 3 387.427 3.968 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048053055 205113481 /nfs/dbraw/zinc/11/34/81/205113481.db2.gz WEHSTYPPAXZZAT-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180828235 837580404 /nfs/dbraw/zinc/58/04/04/837580404.db2.gz OJHSRTZQYDOGSH-OLZOCXBDSA-N 0 3 382.507 3.797 20 5 GHBDHN CCOc1cc(NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000180962672 837741306 /nfs/dbraw/zinc/74/13/06/837741306.db2.gz OHRHALFFUKWWHQ-KRWDZBQOSA-N 0 3 389.452 3.726 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000120102323 834494940 /nfs/dbraw/zinc/49/49/40/834494940.db2.gz LFZRIIVSLMUIQB-UHFFFAOYSA-N 0 3 376.482 3.869 20 5 GHBDHN COc1ccc(NC(=O)CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000573242139 834576958 /nfs/dbraw/zinc/57/69/58/834576958.db2.gz BQBHMVMZLLZFIF-TXEJJXNPSA-N 0 3 389.374 3.595 20 5 GHBDHN CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001125682296 834696574 /nfs/dbraw/zinc/69/65/74/834696574.db2.gz JBGQSALNIQSKNI-LJQANCHMSA-N 0 3 375.513 3.725 20 5 GHBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H](c1ccccc1)N(C)C ZINC000471135254 834887685 /nfs/dbraw/zinc/88/76/85/834887685.db2.gz BDBVQSXVRQVTPW-XOBRGWDASA-N 0 3 378.432 3.564 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)cc1 ZINC000536164395 835265276 /nfs/dbraw/zinc/26/52/76/835265276.db2.gz AGCUWCIUSNQFMA-NRFANRHFSA-N 0 3 394.475 3.600 20 5 GHBDHN CCCCO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000584258707 835810514 /nfs/dbraw/zinc/81/05/14/835810514.db2.gz DWZMZNWFTIXPCN-JKSUJKDBSA-N 0 3 383.876 3.760 20 5 GHBDHN COc1ccccc1COC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000179756035 835967831 /nfs/dbraw/zinc/96/78/31/835967831.db2.gz JWFYEXCNMLVZCL-UHFFFAOYSA-N 0 3 386.448 3.663 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCCOC3)o2)c(Br)c1 ZINC000236569053 836196692 /nfs/dbraw/zinc/19/66/92/836196692.db2.gz GXGLBCVNWKSDDI-NSHDSACASA-N 0 3 381.226 3.886 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NC2CCN(c3cccnn3)CC2)c2ccccc2)c1 ZINC000375935397 836265440 /nfs/dbraw/zinc/26/54/40/836265440.db2.gz VLVZLWBMIFUFMQ-JOCHJYFZSA-N 0 3 389.459 3.733 20 5 GHBDHN COc1ccc(-c2ccncc2)cc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000547820634 837077412 /nfs/dbraw/zinc/07/74/12/837077412.db2.gz JWYIYZYJAQHTJM-UHFFFAOYSA-N 0 3 379.416 3.834 20 5 GHBDHN COc1ccc(CN(C)[C@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580603084 837384811 /nfs/dbraw/zinc/38/48/11/837384811.db2.gz VHAAAHKQEZUPDP-IBGZPJMESA-N 0 3 386.448 3.793 20 5 GHBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(CN2CCCC2)c1 ZINC000610070585 838588530 /nfs/dbraw/zinc/58/85/30/838588530.db2.gz MCIYPNYKCHIPLE-UHFFFAOYSA-N 0 3 381.476 3.943 20 5 GHBDHN COc1cc(CN[C@@H]2CS[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414497020 838594370 /nfs/dbraw/zinc/59/43/70/838594370.db2.gz FDLKTDMBDQACGA-ONGXEEELSA-N 0 3 380.388 3.528 20 5 GHBDHN CN(C)C1(CN(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCC1 ZINC000275735278 838612330 /nfs/dbraw/zinc/61/23/30/838612330.db2.gz ALFVMBLJARNHNL-UHFFFAOYSA-N 0 3 399.441 3.928 20 5 GHBDHN O=[N+]([O-])c1cc(CN[C@H]2CNCCC2(F)F)ccc1Oc1ccc(F)cc1 ZINC000415007124 839051902 /nfs/dbraw/zinc/05/19/02/839051902.db2.gz UPPWBOKAOGAMKF-KRWDZBQOSA-N 0 3 381.354 3.613 20 5 GHBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCN1C ZINC000275822220 839244195 /nfs/dbraw/zinc/24/41/95/839244195.db2.gz SJSOTFFGIRRAES-DOMZBBRYSA-N 0 3 399.441 3.927 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001167378798 839260461 /nfs/dbraw/zinc/26/04/61/839260461.db2.gz FGJZEAHXPUHGIK-MRXNPFEDSA-N 0 3 379.526 3.803 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1Cn1cncn1)CCCC2 ZINC000417309917 840708658 /nfs/dbraw/zinc/70/86/58/840708658.db2.gz GMUMCLYVQZBXOW-NRFANRHFSA-N 0 3 377.448 3.792 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cc1[N+](=O)[O-] ZINC000181746451 841320707 /nfs/dbraw/zinc/32/07/07/841320707.db2.gz CBXXSNCLUJYVNU-GJZGRUSLSA-N 0 3 381.436 3.986 20 5 GHBDHN Cc1cc(NC[C@@H](c2cccs2)N2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302127533 861212539 /nfs/dbraw/zinc/21/25/39/861212539.db2.gz BEXAQOJSWOIRPA-IBGZPJMESA-N 0 3 398.488 3.998 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC000482127724 842016438 /nfs/dbraw/zinc/01/64/38/842016438.db2.gz PKMHGMNHVONVOL-DOPJRALCSA-N 0 3 393.484 3.504 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988332 842124981 /nfs/dbraw/zinc/12/49/81/842124981.db2.gz NSGWRYTWCSSSLK-QGZVFWFLSA-N 0 3 376.482 3.511 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)cc1 ZINC000570240630 842275104 /nfs/dbraw/zinc/27/51/04/842275104.db2.gz SMNNVQKCVSOSSO-IBGZPJMESA-N 0 3 398.488 3.831 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N(C)C)cc1 ZINC000512075192 842417408 /nfs/dbraw/zinc/41/74/08/842417408.db2.gz IMSUMSVOCNLRGB-LJQANCHMSA-N 0 3 380.448 3.671 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000843685352 842638129 /nfs/dbraw/zinc/63/81/29/842638129.db2.gz NLGAMAWGQAUSGB-YXAHYSCSSA-N 0 3 397.475 3.816 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(CCC(C)(C)C)CC1 ZINC000055934772 861359330 /nfs/dbraw/zinc/35/93/30/861359330.db2.gz ASHCNSPIDXJADJ-OAHLLOKOSA-N 0 3 387.484 3.760 20 5 GHBDHN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000512893379 843945164 /nfs/dbraw/zinc/94/51/64/843945164.db2.gz CENVCINRPXUIEU-QGZVFWFLSA-N 0 3 398.463 3.625 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000538606495 845542279 /nfs/dbraw/zinc/54/22/79/845542279.db2.gz VOWBFUPBXDPYOT-WBVHZDCISA-N 0 3 397.566 3.605 20 5 GHBDHN CCC[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000157740342 846152732 /nfs/dbraw/zinc/15/27/32/846152732.db2.gz IPKNAAPDIGENCP-UZLBHIALSA-N 0 3 384.480 3.846 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157827100 846211878 /nfs/dbraw/zinc/21/18/78/846211878.db2.gz MZKLESRILCRIHG-AWEZNQCLSA-N 0 3 387.484 3.843 20 5 GHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119855434 846404910 /nfs/dbraw/zinc/40/49/10/846404910.db2.gz QFNPDQCJJSXWOR-UHFFFAOYSA-N 0 3 390.443 3.537 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000478359006 847062994 /nfs/dbraw/zinc/06/29/94/847062994.db2.gz VAXYCJIFYAKLSG-CYBMUJFWSA-N 0 3 386.345 3.694 20 5 GHBDHN CC(C)(CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1 ZINC000544205631 847305355 /nfs/dbraw/zinc/30/53/55/847305355.db2.gz YUUOQBDJXFORDB-UHFFFAOYSA-N 0 3 385.917 3.721 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503525403 847769325 /nfs/dbraw/zinc/76/93/25/847769325.db2.gz DTSDIBSXAZKFPS-MJGOQNOKSA-N 0 3 383.448 3.569 20 5 GHBDHN COC[C@H](O)CNCc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 ZINC000117946936 848166056 /nfs/dbraw/zinc/16/60/56/848166056.db2.gz JFRUAJOZXFNGRE-QGZVFWFLSA-N 0 3 388.464 3.916 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOCC(F)(F)C(F)F)o1 ZINC000434794091 849780648 /nfs/dbraw/zinc/78/06/48/849780648.db2.gz MZASZRJJDQBUBE-UHFFFAOYSA-N 0 3 376.306 3.861 20 5 GHBDHN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000505580690 849960413 /nfs/dbraw/zinc/96/04/13/849960413.db2.gz HWIWFUFBEWMMLX-IFXJQAMLSA-N 0 3 387.455 3.819 20 5 GHBDHN C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000505587028 849973887 /nfs/dbraw/zinc/97/38/87/849973887.db2.gz LCJXXPXUHUKMRF-PXAZEXFGSA-N 0 3 393.390 3.617 20 5 GHBDHN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000505615114 850129926 /nfs/dbraw/zinc/12/99/26/850129926.db2.gz UYTISMKWVVKFBW-KKSFZXQISA-N 0 3 384.480 3.595 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514820595 850325407 /nfs/dbraw/zinc/32/54/07/850325407.db2.gz SFSPICBTTQIYOD-HKUYNNGSSA-N 0 3 393.846 3.931 20 5 GHBDHN C[C@@H](CO[C@H]1CCOC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000151246489 850625569 /nfs/dbraw/zinc/62/55/69/850625569.db2.gz XTIWFHYQBKHWOS-WFASDCNBSA-N 0 3 380.828 3.792 20 5 GHBDHN CN1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000425443238 851096073 /nfs/dbraw/zinc/09/60/73/851096073.db2.gz LIEUMRUULCNXPL-SJLPKXTDSA-N 0 3 390.281 3.892 20 5 GHBDHN CC(C)c1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000604476866 862221258 /nfs/dbraw/zinc/22/12/58/862221258.db2.gz GQGYHBSOZMRSQO-HXUWFJFHSA-N 0 3 383.492 3.709 20 5 GHBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436136532 851247693 /nfs/dbraw/zinc/24/76/93/851247693.db2.gz HPYXMCSVEAWRMX-JKSUJKDBSA-N 0 3 377.488 3.532 20 5 GHBDHN COc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2OCCC(C)C)c([N+](=O)[O-])c1 ZINC000436271112 851414447 /nfs/dbraw/zinc/41/44/47/851414447.db2.gz OWUZUSOEBPJNRX-IEBWSBKVSA-N 0 3 393.484 3.505 20 5 GHBDHN CN(C)Cc1ccccc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488341774 851426576 /nfs/dbraw/zinc/42/65/76/851426576.db2.gz ACVRAXKYZNOORG-UHFFFAOYSA-N 0 3 378.226 3.671 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000489396723 852298214 /nfs/dbraw/zinc/29/82/14/852298214.db2.gz DMIQEIWKMNIUIH-UZLBHIALSA-N 0 3 384.480 3.875 20 5 GHBDHN COc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000543887815 852311136 /nfs/dbraw/zinc/31/11/36/852311136.db2.gz IWMYWJIZVIXTNV-GOSISDBHSA-N 0 3 384.436 3.562 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489895151 852628881 /nfs/dbraw/zinc/62/88/81/852628881.db2.gz XMUYEUQCKNKKDD-LPHOPBHVSA-N 0 3 382.464 3.538 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000507623224 853098185 /nfs/dbraw/zinc/09/81/85/853098185.db2.gz YBBUXIMSXADMGL-KXBFYZLASA-N 0 3 394.475 3.734 20 5 GHBDHN C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000491146301 853460714 /nfs/dbraw/zinc/46/07/14/853460714.db2.gz MQAOVJBTODDDND-DNVCBOLYSA-N 0 3 384.480 3.821 20 5 GHBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426328830 853473759 /nfs/dbraw/zinc/47/37/59/853473759.db2.gz DWUBCSAQMQYAPE-SFHVURJKSA-N 0 3 397.475 3.778 20 5 GHBDHN C[C@@H](C(=O)N(CCN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000543525528 862473256 /nfs/dbraw/zinc/47/32/56/862473256.db2.gz IARVUFMPCIURGD-MRXNPFEDSA-N 0 3 385.439 3.966 20 5 GHBDHN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000553526225 855094299 /nfs/dbraw/zinc/09/42/99/855094299.db2.gz VLOYUWDHDWXZSJ-GFCCVEGCSA-N 0 3 385.386 3.560 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000473988233 855251092 /nfs/dbraw/zinc/25/10/92/855251092.db2.gz SQPVEOJNZZHPCG-QKKBWIMNSA-N 0 3 384.432 3.560 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000554641605 855929604 /nfs/dbraw/zinc/92/96/04/855929604.db2.gz LNFGVBLNOBXONT-NQSCKRDGSA-N 0 3 395.503 3.943 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536479136 856199490 /nfs/dbraw/zinc/19/94/90/856199490.db2.gz BQDYEMKRHIQNJG-UHFFFAOYSA-N 0 3 394.475 3.713 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000482209442 862810999 /nfs/dbraw/zinc/81/09/99/862810999.db2.gz LBNAEDUNPBJKPX-YRNRMSPPSA-N 0 3 382.464 3.618 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000427832787 856783237 /nfs/dbraw/zinc/78/32/37/856783237.db2.gz UZOQMAKMQQDMSI-QFBILLFUSA-N 0 3 397.475 3.901 20 5 GHBDHN COc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000542957997 857181183 /nfs/dbraw/zinc/18/11/83/857181183.db2.gz WTWSDDJNWUBQMT-OAHLLOKOSA-N 0 3 390.465 3.624 20 5 GHBDHN CN1CC[C@H]2[C@@H](CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301698027 857217231 /nfs/dbraw/zinc/21/72/31/857217231.db2.gz CBCMCTWVXOZTEX-OALUTQOASA-N 0 3 379.460 3.746 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001128251048 857392512 /nfs/dbraw/zinc/39/25/12/857392512.db2.gz IZHIPXZMNNUVLF-YXAHYSCSSA-N 0 3 381.476 3.881 20 5 GHBDHN O=C(CCc1ccccc1)N1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192952824 857767272 /nfs/dbraw/zinc/76/72/72/857767272.db2.gz INEIXGJOAIVVEU-DENIHFKCSA-N 0 3 393.487 3.796 20 5 GHBDHN CN(CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000487417242 857883650 /nfs/dbraw/zinc/88/36/50/857883650.db2.gz VXGQVUXGNJLHNL-UHFFFAOYSA-N 0 3 392.459 3.697 20 5 GHBDHN COc1ccc(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)c(OC)c1OC ZINC000595037220 858375546 /nfs/dbraw/zinc/37/55/46/858375546.db2.gz LOYXIKIJUSNATN-CYBMUJFWSA-N 0 3 390.436 3.523 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cc(F)ccc2OC(F)F)n1 ZINC000595092963 858417880 /nfs/dbraw/zinc/41/78/80/858417880.db2.gz BXGNGHHSJVZTAY-KGLIPLIRSA-N 0 3 384.358 3.805 20 5 GHBDHN CCC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000543183939 858765199 /nfs/dbraw/zinc/76/51/99/858765199.db2.gz SKXMYKHFIKULTI-WMLDXEAASA-N 0 3 380.391 3.744 20 5 GHBDHN CCC(=O)c1ccc(NCC2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000596437572 858896439 /nfs/dbraw/zinc/89/64/39/858896439.db2.gz WVWQJOLRWHWPNH-UHFFFAOYSA-N 0 3 382.464 3.907 20 5 GHBDHN CCN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCN(C)C1 ZINC000596748924 859042531 /nfs/dbraw/zinc/04/25/31/859042531.db2.gz PNNGBHOVURJXLH-KRWDZBQOSA-N 0 3 384.436 3.945 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000483325944 859300140 /nfs/dbraw/zinc/30/01/40/859300140.db2.gz PMOWSJRXLQVKHW-CJNGLKHVSA-N 0 3 390.440 3.837 20 5 GHBDHN COc1cc(CNC[C@H](C)c2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597172901 859327528 /nfs/dbraw/zinc/32/75/28/859327528.db2.gz JIINKQBWEAHXHQ-LBPRGKRZSA-N 0 3 381.379 3.536 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000185122540 859393884 /nfs/dbraw/zinc/39/38/84/859393884.db2.gz FWFKZGFKIMVTEW-SFHVURJKSA-N 0 3 399.491 3.880 20 5 GHBDHN CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000544877897 859419348 /nfs/dbraw/zinc/41/93/48/859419348.db2.gz WGTVJBKNKZRXEH-KRWDZBQOSA-N 0 3 387.867 3.985 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383163 859729804 /nfs/dbraw/zinc/72/98/04/859729804.db2.gz BMZJKQONGGLJQQ-BXUZGUMPSA-N 0 3 385.247 3.992 20 5 GHBDHN COc1ccc([C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)N(C)C)cc1OC ZINC000593458771 859853177 /nfs/dbraw/zinc/85/31/77/859853177.db2.gz LYWOKSQDSFPPSA-LJQANCHMSA-N 0 3 396.447 3.875 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H]2CC(C)(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000474352662 859907325 /nfs/dbraw/zinc/90/73/25/859907325.db2.gz TYPHDDWPFOVSSV-KRWDZBQOSA-N 0 3 384.432 3.659 20 5 GHBDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602563653 860116468 /nfs/dbraw/zinc/11/64/68/860116468.db2.gz FSZCAPHSRXOWCK-UODZXCQVSA-N 0 3 395.344 3.588 20 5 GHBDHN O=[N+]([O-])c1sc(CNC[C@@H](CCO)c2ccccc2)cc1Br ZINC000602550912 860125940 /nfs/dbraw/zinc/12/59/40/860125940.db2.gz FTHHNSRWIABQAB-GFCCVEGCSA-N 0 3 385.283 3.675 20 5 GHBDHN CSc1cccc(F)c1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602649492 860180200 /nfs/dbraw/zinc/18/02/00/860180200.db2.gz JSPZOWUAQMUDDB-UHFFFAOYSA-N 0 3 376.457 3.609 20 5 GHBDHN Cc1ccc([C@@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000552247461 860409678 /nfs/dbraw/zinc/40/96/78/860409678.db2.gz PXUVSEACUFQCPR-NHCUHLMSSA-N 0 3 393.491 3.619 20 5 GHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](c1cccs1)N1CCCC1 ZINC000124857783 860515990 /nfs/dbraw/zinc/51/59/90/860515990.db2.gz VWCQZKAZLLBQOI-GOSISDBHSA-N 0 3 398.488 3.633 20 5 GHBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000484957046 860536507 /nfs/dbraw/zinc/53/65/07/860536507.db2.gz DKUYYADZPHXJAR-UHFFFAOYSA-N 0 3 396.491 3.763 20 5 GHBDHN O=C(NCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000061014442 860552204 /nfs/dbraw/zinc/55/22/04/860552204.db2.gz AIQCCJTXSSIVEM-UHFFFAOYSA-N 0 3 389.839 3.656 20 5 GHBDHN CN(CCc1ccc(Br)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000730255644 860976026 /nfs/dbraw/zinc/97/60/26/860976026.db2.gz WBNQUNAJVXPJOI-UHFFFAOYSA-N 0 3 389.253 3.839 20 5 GHBDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000494432632 881712587 /nfs/dbraw/zinc/71/25/87/881712587.db2.gz HTKQPKHTYKBWMN-HZPDHXFCSA-N 0 3 395.253 3.866 20 5 GHBDHN CSc1ccc([C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000840767914 863980397 /nfs/dbraw/zinc/98/03/97/863980397.db2.gz SIYOJVSUJDWLBA-KRWDZBQOSA-N 0 3 390.534 3.906 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3cc(C)cc(C)c3)C2)cc1[N+](=O)[O-] ZINC000475091973 864143313 /nfs/dbraw/zinc/14/33/13/864143313.db2.gz KWEQAGUGEQDRHT-GOSISDBHSA-N 0 3 398.459 3.753 20 5 GHBDHN C[C@@H](C[S@@](C)=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000184264991 864296487 /nfs/dbraw/zinc/29/64/87/864296487.db2.gz CQEBGHFKNAFBBS-UOXLDJKESA-N 0 3 382.869 3.897 20 5 GHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000735791550 864995937 /nfs/dbraw/zinc/99/59/37/864995937.db2.gz RMXOTNYUFUCQJG-CYBMUJFWSA-N 0 3 392.770 3.654 20 5 GHBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000183154103 866284548 /nfs/dbraw/zinc/28/45/48/866284548.db2.gz PZBYYQOEVRWPED-HUUCEWRRSA-N 0 3 393.447 3.767 20 5 GHBDHN Cc1c(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478793748 866644211 /nfs/dbraw/zinc/64/42/11/866644211.db2.gz JFAPDHCJICVFEH-QFBILLFUSA-N 0 3 382.464 3.538 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444828458 867277973 /nfs/dbraw/zinc/27/79/73/867277973.db2.gz SCBMFDCYSAJQEY-UHFFFAOYSA-N 0 3 385.467 3.673 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccsc1 ZINC000444892512 867448336 /nfs/dbraw/zinc/44/83/36/867448336.db2.gz BACVRFXHXFLYCH-MRXNPFEDSA-N 0 3 392.481 3.870 20 5 GHBDHN O=C(NC1CC1)[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000523520258 867481621 /nfs/dbraw/zinc/48/16/21/867481621.db2.gz MICGHTDYXNTYAC-HXUWFJFHSA-N 0 3 385.439 3.666 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1Cc2ccccc2C1 ZINC000479490011 867875160 /nfs/dbraw/zinc/87/51/60/867875160.db2.gz OIJCDEXUPVACJK-YJBOKZPZSA-N 0 3 399.516 3.986 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442686131 867911705 /nfs/dbraw/zinc/91/17/05/867911705.db2.gz USDVKSRZBVDNCG-PBHICJAKSA-N 0 3 397.500 3.959 20 5 GHBDHN C[C@@H](OC(=O)C1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000744066817 868583506 /nfs/dbraw/zinc/58/35/06/868583506.db2.gz WXDFJGFSUMLKEN-WBMJQRKESA-N 0 3 388.807 3.906 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000446183138 869513321 /nfs/dbraw/zinc/51/33/21/869513321.db2.gz OVWDOOBRYLNUOT-YOEHRIQHSA-N 0 3 387.867 3.949 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000539672408 869588971 /nfs/dbraw/zinc/58/89/71/869588971.db2.gz WHUYVMCVJVJAAA-KGLIPLIRSA-N 0 3 377.510 3.842 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462623677 869782632 /nfs/dbraw/zinc/78/26/32/869782632.db2.gz VRQZJCUFZUQQEC-RBBKRZOGSA-N 0 3 395.503 3.896 20 5 GHBDHN Cc1cccc(C2=CCN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 ZINC000540043979 870289736 /nfs/dbraw/zinc/28/97/36/870289736.db2.gz OIYMIJHNHFMLJC-UHFFFAOYSA-N 0 3 393.443 3.991 20 5 GHBDHN CCN(Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCOC1 ZINC000463044241 870772157 /nfs/dbraw/zinc/77/21/57/870772157.db2.gz QIIXJPZHWDELNR-LJQANCHMSA-N 0 3 386.448 3.793 20 5 GHBDHN CCN(Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCOC1 ZINC000463044240 870772464 /nfs/dbraw/zinc/77/24/64/870772464.db2.gz QIIXJPZHWDELNR-IBGZPJMESA-N 0 3 386.448 3.793 20 5 GHBDHN COc1ccc(OCCN(Cc2cccs2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441185907 870940153 /nfs/dbraw/zinc/94/01/53/870940153.db2.gz BPZVXYINZSGKRK-MRXNPFEDSA-N 0 3 392.477 3.725 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000016259373 870966001 /nfs/dbraw/zinc/96/60/01/870966001.db2.gz FENMHZGFCSLIML-OAQYLSRUSA-N 0 3 394.475 3.736 20 5 GHBDHN Cc1ccc(Sc2ccc(CN[C@]3(CCO)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000447090708 870976534 /nfs/dbraw/zinc/97/65/34/870976534.db2.gz MGYMCHLFACTKIV-HXUWFJFHSA-N 0 3 388.489 3.686 20 5 GHBDHN C[C@H](c1ccc(Br)cc1)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169056379 871137325 /nfs/dbraw/zinc/13/73/25/871137325.db2.gz SLUCERKQWRLLSL-RVKKMQEKSA-N 0 3 396.329 3.573 20 5 GHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525656668 871157679 /nfs/dbraw/zinc/15/76/79/871157679.db2.gz QRWRKPVRXGOTNG-OAQYLSRUSA-N 0 3 395.503 3.727 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CN3CCCCC3)c3ccccc3)nc2c1 ZINC000618305207 871482101 /nfs/dbraw/zinc/48/21/01/871482101.db2.gz FZWZWLURKDJOTO-HXUWFJFHSA-N 0 3 379.464 3.788 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccnc2OC2CCCC2)n1 ZINC000447529728 871762246 /nfs/dbraw/zinc/76/22/46/871762246.db2.gz KTKIKWPKZKZTGG-ROUUACIJSA-N 0 3 385.468 3.781 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000462233747 871907589 /nfs/dbraw/zinc/90/75/89/871907589.db2.gz RBXJEXDQAAXBNZ-UGSOOPFHSA-N 0 3 388.855 3.890 20 5 GHBDHN C[C@H]1CCCN(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447681705 872090791 /nfs/dbraw/zinc/09/07/91/872090791.db2.gz QSJCOMZBQQTXTK-JTQLQIEISA-N 0 3 382.333 3.788 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000182404439 872307539 /nfs/dbraw/zinc/30/75/39/872307539.db2.gz HTDBOLNCODVTIY-IUODEOHRSA-N 0 3 384.354 3.704 20 5 GHBDHN Cc1nn(C)c(CNCCCCc2ccc([N+](=O)[O-])cc2)c1Br ZINC000447943371 872539179 /nfs/dbraw/zinc/53/91/79/872539179.db2.gz XKSKMUGKOINVSS-UHFFFAOYSA-N 0 3 381.274 3.512 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182855868 872865440 /nfs/dbraw/zinc/86/54/40/872865440.db2.gz WYIHVKLBZITOHB-AWEZNQCLSA-N 0 3 384.358 3.526 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001196848799 873405710 /nfs/dbraw/zinc/40/57/10/873405710.db2.gz CIGHLLOIACWGFP-MRXNPFEDSA-N 0 3 393.484 3.743 20 5 GHBDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000768950153 873728748 /nfs/dbraw/zinc/72/87/48/873728748.db2.gz JJKCLNTUKAGRTP-CYBMUJFWSA-N 0 3 375.425 3.858 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001129395655 882754508 /nfs/dbraw/zinc/75/45/08/882754508.db2.gz RXLKICMXMBZXFU-CYBMUJFWSA-N 0 3 395.381 3.864 20 5 GHBDHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000449252167 874632405 /nfs/dbraw/zinc/63/24/05/874632405.db2.gz RSGGGMKYCRXRSZ-GFCCVEGCSA-N 0 3 382.869 3.545 20 5 GHBDHN C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000464888634 874721193 /nfs/dbraw/zinc/72/11/93/874721193.db2.gz CBGQBZWMGMTWEJ-GOSISDBHSA-N 0 3 395.503 3.995 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000153066001 874969994 /nfs/dbraw/zinc/96/99/94/874969994.db2.gz PAZNSVZANNRXKC-MLGOLLRUSA-N 0 3 384.354 3.704 20 5 GHBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N(C)Cc1ccccc1 ZINC000550961473 882920727 /nfs/dbraw/zinc/92/07/27/882920727.db2.gz GZNNVZBUUDGNSI-CYBMUJFWSA-N 0 3 395.381 3.864 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000785521324 876085397 /nfs/dbraw/zinc/08/53/97/876085397.db2.gz IWDAVOCTOWZRHQ-CYBMUJFWSA-N 0 3 389.374 3.713 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000450371938 876346357 /nfs/dbraw/zinc/34/63/57/876346357.db2.gz LFAKDNUPXVOXPE-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130002528 877226245 /nfs/dbraw/zinc/22/62/45/877226245.db2.gz AARZDIANJVVEDF-FQEVSTJZSA-N 0 3 378.432 3.643 20 5 GHBDHN CCOC(=O)[C@](C)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000787436769 877401172 /nfs/dbraw/zinc/40/11/72/877401172.db2.gz IKLUNQPBSXYOBX-LJQANCHMSA-N 0 3 376.840 3.859 20 5 GHBDHN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192752077 877583063 /nfs/dbraw/zinc/58/30/63/877583063.db2.gz MAINIMDKQYZNOE-TWOQFEAHSA-N 0 3 383.448 3.679 20 5 GHBDHN Cc1c(NC(=O)CCN(C)[C@H](CO)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000451335969 877824946 /nfs/dbraw/zinc/82/49/46/877824946.db2.gz VMVFJLNPFAPBIK-GOSISDBHSA-N 0 3 391.855 3.551 20 5 GHBDHN Cc1c(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000616237840 878687272 /nfs/dbraw/zinc/68/72/72/878687272.db2.gz WTKKHLPBBXCGJS-HXUWFJFHSA-N 0 3 396.491 3.930 20 5 GHBDHN CCN1CCN(Cc2ccc(NCc3ccc([N+](=O)[O-])c(Cl)c3)cc2)CC1 ZINC000761513779 879216972 /nfs/dbraw/zinc/21/69/72/879216972.db2.gz FOFVPFHTPFQQSL-UHFFFAOYSA-N 0 3 388.899 3.998 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790904468 880079036 /nfs/dbraw/zinc/07/90/36/880079036.db2.gz BAUBHJWADWPWLR-UHFFFAOYSA-N 0 3 379.819 3.939 20 5 GHBDHN C[C@H]1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2sccc21 ZINC000453189944 880595237 /nfs/dbraw/zinc/59/52/37/880595237.db2.gz DYPDHHDNGRISBA-BLLLJJGKSA-N 0 3 380.491 3.658 20 5 GHBDHN CCOc1ccc([C@@H](C)N2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453289587 880730576 /nfs/dbraw/zinc/73/05/76/880730576.db2.gz TYNDQIDKBNPHBX-HUUCEWRRSA-N 0 3 377.485 3.668 20 5 GHBDHN C[C@@]1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453588194 881104944 /nfs/dbraw/zinc/10/49/44/881104944.db2.gz KWGOCWRSKIKFJQ-IBGZPJMESA-N 0 3 389.839 3.799 20 5 GHBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000804680873 883237990 /nfs/dbraw/zinc/23/79/90/883237990.db2.gz WSWLTLBZSZYKMC-UHFFFAOYSA-N 0 3 388.346 3.720 20 5 GHBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000609639799 883468886 /nfs/dbraw/zinc/46/88/86/883468886.db2.gz UZIFJIAMIKJRIG-NRFANRHFSA-N 0 3 396.491 3.664 20 5 GHBDHN O=[N+]([O-])c1c(NC[C@H]2CCCN(Cc3cccs3)C2)nc2sccn21 ZINC000064550879 883674381 /nfs/dbraw/zinc/67/43/81/883674381.db2.gz MPFBDXVHCQAUQK-GFCCVEGCSA-N 0 3 377.495 3.690 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCCS(=O)(=O)Cc1ccccc1)CCC2 ZINC000192707474 883804002 /nfs/dbraw/zinc/80/40/02/883804002.db2.gz ZSFBSZLGKYTYSR-HXUWFJFHSA-N 0 3 388.489 3.567 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2noc(CN3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)n2)cc1 ZINC000859929158 884178366 /nfs/dbraw/zinc/17/83/66/884178366.db2.gz XWPWWTJSWWBEPZ-YTQUADARSA-N 0 3 376.416 3.880 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000194734715 884329309 /nfs/dbraw/zinc/32/93/09/884329309.db2.gz MAHYTQGADYHCDA-DOTOQJQBSA-N 0 3 395.459 3.529 20 5 GHBDHN CC(C)c1nn(C)c(Cl)c1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808451006 886362216 /nfs/dbraw/zinc/36/22/16/886362216.db2.gz FJCQDKWFFKVZCK-UHFFFAOYSA-N 0 3 375.860 3.919 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556882930 886447323 /nfs/dbraw/zinc/44/73/23/886447323.db2.gz DNOZZGLETDKMEW-SFHVURJKSA-N 0 3 384.432 3.526 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000808788358 886780245 /nfs/dbraw/zinc/78/02/45/886780245.db2.gz LYYZKYNBYKZBEN-BHIFYINESA-N 0 3 378.428 3.693 20 5 GHBDHN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2sccc2C1 ZINC000153317434 887587773 /nfs/dbraw/zinc/58/77/73/887587773.db2.gz SWEUQTFJVVUKCR-UHFFFAOYSA-N 0 3 385.489 3.596 20 5 GHBDHN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809770310 887758089 /nfs/dbraw/zinc/75/80/89/887758089.db2.gz VYNCZRSRAKKLHD-YWZLYKJASA-N 0 3 390.867 3.790 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000809914246 887937883 /nfs/dbraw/zinc/93/78/83/887937883.db2.gz BWTCSBPXSFQAEY-OAHLLOKOSA-N 0 3 392.843 3.681 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCO[C@@H](c2ccccc2)C1 ZINC000609234045 888136328 /nfs/dbraw/zinc/13/63/28/888136328.db2.gz MKCCSKOKMOPKGM-HXUWFJFHSA-N 0 3 383.448 3.695 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488134848 889164776 /nfs/dbraw/zinc/16/47/76/889164776.db2.gz OHDPYWXNHINKEN-VLIAUNLRSA-N 0 3 397.500 3.959 20 5 GHBDHN Cc1cc(N2CCC[C@H](NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)n(C)n1 ZINC000811495543 889647663 /nfs/dbraw/zinc/64/76/63/889647663.db2.gz DQDNOGQHFSDACD-AWEZNQCLSA-N 0 3 398.294 3.702 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533292320 890207792 /nfs/dbraw/zinc/20/77/92/890207792.db2.gz DULXGNSHELGIBC-MORSLUCNSA-N 0 3 395.887 3.712 20 5 GHBDHN COc1ccccc1[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])N1CCCCC1 ZINC000917090218 891085265 /nfs/dbraw/zinc/08/52/65/891085265.db2.gz AINBWOASFXXKFK-QGZVFWFLSA-N 0 3 395.463 3.890 20 5 GHBDHN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813102904 891273607 /nfs/dbraw/zinc/27/36/07/891273607.db2.gz LJCXRWNSTVQQPL-JTQLQIEISA-N 0 3 393.852 3.930 20 5 GHBDHN CC(COC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[N+](=O)[O-] ZINC000813110108 891305146 /nfs/dbraw/zinc/30/51/46/891305146.db2.gz ZJSPKSCHJIBGAW-QWRGUYRKSA-N 0 3 384.841 3.825 20 5 GHBDHN Cc1cc(C(F)(F)F)nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000873545070 891678550 /nfs/dbraw/zinc/67/85/50/891678550.db2.gz ONYFDFAYYJSFNH-RNCFNFMXSA-N 0 3 387.289 3.506 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H](O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237430081 891738343 /nfs/dbraw/zinc/73/83/43/891738343.db2.gz GOVGYYDOQOCXJI-MRXNPFEDSA-N 0 3 382.416 3.557 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(N[C@H]3CSc4ccc(Br)cc43)C2)c1 ZINC000877483251 893638723 /nfs/dbraw/zinc/63/87/23/893638723.db2.gz RBIRDWSICTUWFK-MGULZYLOSA-N 0 3 395.282 3.694 20 5 GHBDHN COc1ccccc1[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609280851 893874812 /nfs/dbraw/zinc/87/48/12/893874812.db2.gz QSLKNLZCUIIOJW-XLIONFOSSA-N 0 3 386.448 3.570 20 5 GHBDHN C[C@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597975 894035651 /nfs/dbraw/zinc/03/56/51/894035651.db2.gz JXMOXPZKUHWXEN-HNNXBMFYSA-N 0 3 385.464 3.723 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000537074471 894297239 /nfs/dbraw/zinc/29/72/39/894297239.db2.gz ITQGSYWGHHUZFH-IAQYHMDHSA-N 0 3 385.247 3.992 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817424738 895613791 /nfs/dbraw/zinc/61/37/91/895613791.db2.gz SKRABNAWLJXCEE-QUCCMNQESA-N 0 3 379.460 3.968 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817424736 895614310 /nfs/dbraw/zinc/61/43/10/895614310.db2.gz SKRABNAWLJXCEE-AZUAARDMSA-N 0 3 379.460 3.968 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000568662761 898019117 /nfs/dbraw/zinc/01/91/17/898019117.db2.gz JNBWGCBWDWUNJV-DYVFJYSZSA-N 0 3 396.365 3.630 20 5 GHBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@](C)(O)c1ccccc1 ZINC000822516314 898447233 /nfs/dbraw/zinc/44/72/33/898447233.db2.gz KNWZAVKNWGFNRP-QGZVFWFLSA-N 0 3 379.254 3.697 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3nc4c(s3)CCCC4)CC2)cc1 ZINC000823469294 899046404 /nfs/dbraw/zinc/04/64/04/899046404.db2.gz UXAHHQHMPNUNPZ-GOSISDBHSA-N 0 3 387.505 3.843 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134156004 899666611 /nfs/dbraw/zinc/66/66/11/899666611.db2.gz UXHHZLKGRRIJRK-JKSUJKDBSA-N 0 3 393.484 3.599 20 5 GHBDHN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCCN(CCCc2ccccc2)CC1 ZINC000825308856 900082966 /nfs/dbraw/zinc/08/29/66/900082966.db2.gz GFYJWENBMGRYFA-UHFFFAOYSA-N 0 3 385.439 3.515 20 5 GHBDHN C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000290049184 914498148 /nfs/dbraw/zinc/49/81/48/914498148.db2.gz DHFUPMJBQQBLKD-YWZLYKJASA-N 0 3 395.459 3.606 20 5 GHBDHN Cn1cc(CN[C@@H](CCCO)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124401865 902064447 /nfs/dbraw/zinc/06/44/47/902064447.db2.gz KDARPVUJIYNGME-FQEVSTJZSA-N 0 3 380.448 3.599 20 5 GHBDHN COc1cccc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1OC ZINC000845874214 902478258 /nfs/dbraw/zinc/47/82/58/902478258.db2.gz YJZFQVJYMVCQKN-DJJJIMSYSA-N 0 3 391.395 3.725 20 5 GHBDHN CC([C@@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845878868 902482457 /nfs/dbraw/zinc/48/24/57/902482457.db2.gz WHELYBLPQYULRX-PIGZYNQJSA-N 0 3 383.322 3.919 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(OC(C)(C)C)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883526 902486604 /nfs/dbraw/zinc/48/66/04/902486604.db2.gz UMBADVVZDJGWFH-SJCJKPOMSA-N 0 3 376.384 3.961 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000775037550 914666622 /nfs/dbraw/zinc/66/66/22/914666622.db2.gz AFIRLCSLEDLTEE-ZBFHGGJFSA-N 0 3 393.484 3.871 20 5 GHBDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000131081740 903055270 /nfs/dbraw/zinc/05/52/70/903055270.db2.gz LQZYJSSEURRJEZ-SFHVURJKSA-N 0 3 387.436 3.808 20 5 GHBDHN C[C@@H]1[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001186640078 914698906 /nfs/dbraw/zinc/69/89/06/914698906.db2.gz WQZJRDXTZIAAJC-QAPCUYQASA-N 0 3 392.459 3.522 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000153230789 904343336 /nfs/dbraw/zinc/34/33/36/904343336.db2.gz HHASURSKODLELK-UHFFFAOYSA-N 0 3 377.828 3.578 20 5 GHBDHN CC1(C)CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC(C)(C)O1 ZINC001173015526 906092055 /nfs/dbraw/zinc/09/20/55/906092055.db2.gz QZNWMZVBWAARDD-UHFFFAOYSA-N 0 3 383.439 3.731 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccc(Br)o2)c1F ZINC001173181557 906262000 /nfs/dbraw/zinc/26/20/00/906262000.db2.gz GGSAPODCRUAYPS-VIFPVBQESA-N 0 3 387.205 3.819 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001173222999 906301742 /nfs/dbraw/zinc/30/17/42/906301742.db2.gz WDHBYIJSKLZPNY-KVSKMBFKSA-N 0 3 389.496 3.857 20 5 GHBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000192776028 907891961 /nfs/dbraw/zinc/89/19/61/907891961.db2.gz BYPIBWMJTQJCMM-AWEZNQCLSA-N 0 3 385.390 3.853 20 5 GHBDHN CC[C@@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268791421 910018682 /nfs/dbraw/zinc/01/86/82/910018682.db2.gz ABTIPUKJYHCCIL-OAQYLSRUSA-N 0 3 396.491 3.504 20 5 GHBDHN COc1ccc(NC(=O)C[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000296062106 917810471 /nfs/dbraw/zinc/81/04/71/917810471.db2.gz PHWFWFGHQMRLSA-KBPBESRZSA-N 0 3 387.436 3.680 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000410576697 925741452 /nfs/dbraw/zinc/74/14/52/925741452.db2.gz TYOINTSVIOVXLE-GOSISDBHSA-N 0 3 381.476 3.605 20 5 GHBDHN CC(C)CCN(CCC(C)C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726585210 926744579 /nfs/dbraw/zinc/74/45/79/926744579.db2.gz VIEANFMOVWZUSS-UHFFFAOYSA-N 0 3 390.484 3.715 20 5 GHBDHN C[C@H](C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544399675 929132973 /nfs/dbraw/zinc/13/29/73/929132973.db2.gz PHJQQWDXRIOKSA-LPHOPBHVSA-N 0 3 399.466 3.960 20 5 GHBDHN CC(C)C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000544449634 929198328 /nfs/dbraw/zinc/19/83/28/929198328.db2.gz OYBSIAPMMYSOHM-ZDUSSCGKSA-N 0 3 391.449 3.701 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000470211960 930456377 /nfs/dbraw/zinc/45/63/77/930456377.db2.gz OMHHXYHGAKUXMX-SSZFMOIBSA-N 0 3 381.480 3.806 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000759743912 930472790 /nfs/dbraw/zinc/47/27/90/930472790.db2.gz CARBHLBAUNFXQU-UHFFFAOYSA-N 0 3 386.408 3.742 20 5 GHBDHN CC1(c2ccc(Cl)cc2)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000470872295 930985380 /nfs/dbraw/zinc/98/53/80/930985380.db2.gz RFINYNBTZHNZRK-UHFFFAOYSA-N 0 3 387.867 3.901 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCN2C2CCOCC2)c2ccccc2)c1 ZINC000927104571 932413820 /nfs/dbraw/zinc/41/38/20/932413820.db2.gz NMTUNLKKOZFKAJ-YADHBBJMSA-N 0 3 381.476 3.527 20 5 GHBDHN COc1ccc(CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000798508214 932680428 /nfs/dbraw/zinc/68/04/28/932680428.db2.gz VXIROAQRSPBREK-MRXNPFEDSA-N 0 3 381.473 3.632 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2c(F)cccc2N2CCCC2)n1 ZINC000560575645 933356070 /nfs/dbraw/zinc/35/60/70/933356070.db2.gz YBSGUIHDUNTNGJ-IEBWSBKVSA-N 0 3 387.459 3.804 20 5 GHBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116595608 933654591 /nfs/dbraw/zinc/65/45/91/933654591.db2.gz XDKKARNHCPPRPJ-QAPCUYQASA-N 0 3 380.828 3.792 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001626006972 1014750368 /nfs/dbraw/zinc/75/03/68/1014750368.db2.gz WXKYKKKQIBWHNE-SFHVURJKSA-N 0 3 398.463 3.698 20 5 GHBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227109064 1032272403 /nfs/dbraw/zinc/27/24/03/1032272403.db2.gz RCLPVTDPPOVFPN-KRWDZBQOSA-N 0 3 386.408 3.578 20 5 GHBDHN CN(Cc1ccc(OCC(F)(F)F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796104243 1021108434 /nfs/dbraw/zinc/10/84/34/1021108434.db2.gz GPEXMBJIZRGGKD-KRWDZBQOSA-N 0 3 384.354 3.701 20 5 GHBDHN Cc1c([C@@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)cccc1[N+](=O)[O-] ZINC000834905564 1021658959 /nfs/dbraw/zinc/65/89/59/1021658959.db2.gz ZLSQRCGUDPEFOZ-CVEARBPZSA-N 0 3 393.484 3.580 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000754272623 1022575642 /nfs/dbraw/zinc/57/56/42/1022575642.db2.gz WOTYVHLECIOALO-PEZBUJJGSA-N 0 3 385.439 3.728 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000755118022 1023082659 /nfs/dbraw/zinc/08/26/59/1023082659.db2.gz GLDYVOSKBDGAHS-UFYHVXEKSA-N 0 3 389.839 3.730 20 5 GHBDHN CC(C)(C)N1CCN[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001205025210 1033217743 /nfs/dbraw/zinc/21/77/43/1033217743.db2.gz KSVOWRHCGZLIOW-KRWDZBQOSA-N 0 3 388.475 3.578 20 5 GHBDHN CCN1CCN(c2ccc(Nc3ncnc4cccc([N+](=O)[O-])c43)c(C)c2)CC1 ZINC001161947906 1025508570 /nfs/dbraw/zinc/50/85/70/1025508570.db2.gz QOEQIUGOAWLUBM-UHFFFAOYSA-N 0 3 392.463 3.732 20 5 GHBDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001162764215 1025910649 /nfs/dbraw/zinc/91/06/49/1025910649.db2.gz VBQXSZPZQIKINK-CQSZACIVSA-N 0 3 389.415 3.927 20 5 GHBDHN COCCN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1C)c1ccc(Cl)cc1 ZINC001163384560 1026169399 /nfs/dbraw/zinc/16/93/99/1026169399.db2.gz JUDMWUGIAKVCFA-SFHVURJKSA-N 0 3 392.887 3.991 20 5 GHBDHN CC(C)NC(=O)CN1CCN(Cc2c3ccccc3cc3ccccc32)CC1 ZINC001141728551 1026361946 /nfs/dbraw/zinc/36/19/46/1026361946.db2.gz WKNDKWRGCXUPER-UHFFFAOYSA-N 0 3 375.516 3.635 20 5 GHBDHN CC(C)Cc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC001141777927 1027230510 /nfs/dbraw/zinc/23/05/10/1027230510.db2.gz WYLLETAOEZZGRQ-NRFANRHFSA-N 0 3 383.492 3.755 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3c(F)c(F)cc([N+](=O)[O-])c3F)n2)cc1 ZINC001217032758 1030107994 /nfs/dbraw/zinc/10/79/94/1030107994.db2.gz XYKBPGDTJARKIG-UHFFFAOYSA-N 0 3 378.310 3.791 20 5 GHBDHN C[C@@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)[C@H](C)CN1Cc1ccccc1 ZINC001158521899 1034125839 /nfs/dbraw/zinc/12/58/39/1034125839.db2.gz QDWNOSZEYJCJBD-NDZBKKTDSA-N 0 3 395.507 3.621 20 5 GHBDHN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC(n2ccnc2)CC1 ZINC001160725933 1035045283 /nfs/dbraw/zinc/04/52/83/1035045283.db2.gz ISNOGUHYNWDHBZ-DEOSSOPVSA-N 0 3 398.510 3.923 20 5 GHBDHN Cc1cc(Cl)nc(NC2CCN(Cc3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC001161132021 1035153973 /nfs/dbraw/zinc/15/39/73/1035153973.db2.gz WMWMQCOIEQIWOD-UHFFFAOYSA-N 0 3 376.844 3.734 20 5 GHBDHN COc1c(O)ccc(CNCCn2ccc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001462223281 1070097487 /nfs/dbraw/zinc/09/74/87/1070097487.db2.gz YPJNSTTXOGWNQQ-UHFFFAOYSA-N 0 3 375.812 3.707 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC001233750451 1039589070 /nfs/dbraw/zinc/58/90/70/1039589070.db2.gz KYOXCRGZTXIWBV-LRDDRELGSA-N 0 3 381.354 3.908 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1(F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254531645 1040302168 /nfs/dbraw/zinc/30/21/68/1040302168.db2.gz GEYOPFGWGJUXDP-OAHLLOKOSA-N 0 3 395.475 3.855 20 5 GHBDHN COC(=O)c1ccc(OC2CCN([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254558469 1040329066 /nfs/dbraw/zinc/32/90/66/1040329066.db2.gz AWVKFZMZWWBISF-MRXNPFEDSA-N 0 3 398.459 3.856 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(n2cc(Br)cn2)CC1 ZINC001254571647 1040347670 /nfs/dbraw/zinc/34/76/70/1040347670.db2.gz ZRQYZPQEXPKHPZ-CYBMUJFWSA-N 0 3 393.285 3.822 20 5 GHBDHN O=C1Nc2ccccc2CN1C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600364 1040371066 /nfs/dbraw/zinc/37/10/66/1040371066.db2.gz PJTASORWOPEIGW-FQEVSTJZSA-N 0 3 392.459 3.574 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC(c3nnc(-c4ccccc4)o3)CC1)C2 ZINC001254598514 1040371589 /nfs/dbraw/zinc/37/15/89/1040371589.db2.gz HHYULGFETRAHIF-HXUWFJFHSA-N 0 3 390.443 3.992 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001297734536 1045613419 /nfs/dbraw/zinc/61/34/19/1045613419.db2.gz XFZKJJWRJLQICV-OAHLLOKOSA-N 0 3 397.903 3.740 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC001306840032 1048922643 /nfs/dbraw/zinc/92/26/43/1048922643.db2.gz MYAGGOPRUSBGQO-XJKSGUPXSA-N 0 3 377.416 3.505 20 5 GHBDHN CCN1CCN(Cc2ccc(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2)CC1 ZINC001290860161 1049940518 /nfs/dbraw/zinc/94/05/18/1049940518.db2.gz WDWYINNPEZAMTL-UHFFFAOYSA-N 0 3 396.491 3.601 20 5 GHBDHN CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001308895225 1050144802 /nfs/dbraw/zinc/14/48/02/1050144802.db2.gz XFTBPSASHFDXQP-INIZCTEOSA-N 0 3 383.448 3.912 20 5 GHBDHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001310797061 1051597636 /nfs/dbraw/zinc/59/76/36/1051597636.db2.gz DMHHVUKQCXRZDP-QGZVFWFLSA-N 0 3 386.427 3.910 20 5 GHBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)N(C)Cc1ccccc1 ZINC001311021498 1051778956 /nfs/dbraw/zinc/77/89/56/1051778956.db2.gz VRMBMIYUNPIIHY-HNNXBMFYSA-N 0 3 393.447 3.785 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001312024255 1052535200 /nfs/dbraw/zinc/53/52/00/1052535200.db2.gz KDOJXIKGZBAFKZ-PXNSSMCTSA-N 0 3 396.491 3.928 20 5 GHBDHN COc1ccc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001345727738 1055226038 /nfs/dbraw/zinc/22/60/38/1055226038.db2.gz LRPRINSFCKUVRU-INIZCTEOSA-N 0 3 398.463 3.732 20 5 GHBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1F ZINC001322762466 1056838868 /nfs/dbraw/zinc/83/88/68/1056838868.db2.gz PFJCCJYAFUJZKG-UHFFFAOYSA-N 0 3 375.400 3.593 20 5 GHBDHN CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001325509582 1057336580 /nfs/dbraw/zinc/33/65/80/1057336580.db2.gz CSJCTLNOGAHRPR-FSPWUOQZSA-N 0 3 395.887 3.712 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001442268871 1058942852 /nfs/dbraw/zinc/94/28/52/1058942852.db2.gz YAPNYWTZGILNDJ-DOMZBBRYSA-N 0 3 391.830 3.953 20 5 GHBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001452645005 1060977579 /nfs/dbraw/zinc/97/75/79/1060977579.db2.gz KZAWODIPKRDGKM-VXGBXAGGSA-N 0 3 390.242 3.787 20 5 GHBDHN O=[N+]([O-])c1cnc(N2CCCN(CC3CCCCC3)CC2)c(Br)c1 ZINC001458118545 1063580341 /nfs/dbraw/zinc/58/03/41/1063580341.db2.gz LAGMONVBCLPZIM-UHFFFAOYSA-N 0 3 397.317 3.845 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2)cc1Cl ZINC001352184077 1064914248 /nfs/dbraw/zinc/91/42/48/1064914248.db2.gz AJJRINDAOFXMCV-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001464550023 1065075920 /nfs/dbraw/zinc/07/59/20/1065075920.db2.gz YLUBBZJLYGLBDL-SFHVURJKSA-N 0 3 375.856 3.518 20 5 GHBDHN C[C@H](CN1CCC(C)CC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474626808 1067774441 /nfs/dbraw/zinc/77/44/41/1067774441.db2.gz SCGVDNOKXMZXIN-LLVKDONJSA-N 0 3 376.320 3.629 20 5 GHBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CCN1 ZINC001470297640 1068671527 /nfs/dbraw/zinc/67/15/27/1068671527.db2.gz PQJVNXVSCLCFJP-QGZVFWFLSA-N 0 3 377.510 3.700 20 5 GHBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001460224451 1068869763 /nfs/dbraw/zinc/86/97/63/1068869763.db2.gz RAUQTTULWUDGNK-PZJWPPBQSA-N 0 3 379.460 3.752 20 5 GHBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001460409451 1068955605 /nfs/dbraw/zinc/95/56/05/1068955605.db2.gz YAHQYWULRSZXPS-KRWDZBQOSA-N 0 3 385.489 3.597 20 5 GHBDHN Cc1ccc(CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001471081728 1072914821 /nfs/dbraw/zinc/91/48/21/1072914821.db2.gz GESGFGPVBVJNSN-QGZVFWFLSA-N 0 3 396.491 3.567 20 5 GHBDHN O=[N+]([O-])c1c(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc2cnccc21 ZINC001472756316 1073652694 /nfs/dbraw/zinc/65/26/94/1073652694.db2.gz CNPQVPBBLXWUAH-IBGZPJMESA-N 0 3 392.459 3.846 20 5 GHBDHN CC(C)(CNCc1cc(Br)c([N+](=O)[O-])s1)C1=CCOCC1 ZINC001474750857 1074545266 /nfs/dbraw/zinc/54/52/66/1074545266.db2.gz AQQHNGCFMIHUSE-UHFFFAOYSA-N 0 3 375.288 3.881 20 5 GHBDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180649771 837421882 /nfs/dbraw/zinc/42/18/82/837421882.db2.gz MHYGTIWNVGKMQS-UZLBHIALSA-N 0 3 396.447 3.534 20 5 GHBDHN COc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000480557962 835063709 /nfs/dbraw/zinc/06/37/09/835063709.db2.gz AUQBRIVPDAWQRH-UHFFFAOYSA-N 0 3 391.365 3.960 20 5 GHBDHN O=C(CCN1CC[C@@H](Oc2ccc(Cl)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000584041461 835493027 /nfs/dbraw/zinc/49/30/27/835493027.db2.gz HRSBNNIMUOBLOD-MRXNPFEDSA-N 0 3 389.839 3.730 20 5 GHBDHN CSc1ccc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000614185497 835911476 /nfs/dbraw/zinc/91/14/76/835911476.db2.gz VFGOHXSBAINQAU-UHFFFAOYSA-N 0 3 397.504 3.905 20 5 GHBDHN Cc1c([C@@H](C)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000246911397 836262989 /nfs/dbraw/zinc/26/29/89/836262989.db2.gz GGXNMMFKSAORBF-FUHWJXTLSA-N 0 3 383.492 3.975 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612479117 836284652 /nfs/dbraw/zinc/28/46/52/836284652.db2.gz UETGPKIGHFJBKG-QGZVFWFLSA-N 0 3 399.466 3.880 20 5 GHBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000187257898 836359821 /nfs/dbraw/zinc/35/98/21/836359821.db2.gz IIJJATBJWSUPGH-ORAYPTAESA-N 0 3 375.856 3.598 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000411809043 836360118 /nfs/dbraw/zinc/36/01/18/836360118.db2.gz SVRQBTCWVPDGSI-NWDGAFQWSA-N 0 3 389.374 3.595 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000548951176 836544201 /nfs/dbraw/zinc/54/42/01/836544201.db2.gz OLXNBTLBIRZCPC-MRXNPFEDSA-N 0 3 392.843 3.681 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000548952680 836558508 /nfs/dbraw/zinc/55/85/08/836558508.db2.gz SLCMRQBHIXAZLF-NVXWUHKLSA-N 0 3 383.448 3.559 20 5 GHBDHN COC[C@H](O)CNCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000548989269 837251768 /nfs/dbraw/zinc/25/17/68/837251768.db2.gz CGSVCGGXYYKHEM-QGZVFWFLSA-N 0 3 388.464 3.782 20 5 GHBDHN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccccc2C1 ZINC000189092284 838069119 /nfs/dbraw/zinc/06/91/19/838069119.db2.gz XZMXJBUCJBBJEH-UHFFFAOYSA-N 0 3 379.460 3.534 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189624183 838331616 /nfs/dbraw/zinc/33/16/16/838331616.db2.gz ZMFUVQGGKVBZKI-IAQYHMDHSA-N 0 3 398.328 3.769 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001125400025 838424866 /nfs/dbraw/zinc/42/48/66/838424866.db2.gz YDHCDOGSVFHVIR-WUHBCXKYSA-N 0 3 379.460 3.650 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000412335098 838740195 /nfs/dbraw/zinc/74/01/95/838740195.db2.gz HPFDSMMLDBVYFW-KRWDZBQOSA-N 0 3 389.427 3.554 20 5 GHBDHN O=C(CN[C@H](c1ccc(Cl)cc1)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542135997 839209264 /nfs/dbraw/zinc/20/92/64/839209264.db2.gz XGVJUTYVHUATQW-FQEVSTJZSA-N 0 3 385.851 3.878 20 5 GHBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610451585 840023507 /nfs/dbraw/zinc/02/35/07/840023507.db2.gz USYHYEXGNZFPTI-ROUUACIJSA-N 0 3 396.491 3.518 20 5 GHBDHN CC1CCN([C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000015128652 840320824 /nfs/dbraw/zinc/32/08/24/840320824.db2.gz IHYQVXXWCHDTCX-QGZVFWFLSA-N 0 3 388.493 3.640 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(Cn3cncn3)cc1)CCCC2 ZINC000417324137 840725481 /nfs/dbraw/zinc/72/54/81/840725481.db2.gz PQZKHXKQSAVYPD-OAQYLSRUSA-N 0 3 377.448 3.792 20 5 GHBDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000541951398 841990168 /nfs/dbraw/zinc/99/01/68/841990168.db2.gz CZOZJZJTYIARJK-HNNXBMFYSA-N 0 3 393.447 3.687 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000126774486 842058735 /nfs/dbraw/zinc/05/87/35/842058735.db2.gz DVHPKVZYYUGMMO-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN CCC[C@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000112377500 842310689 /nfs/dbraw/zinc/31/06/89/842310689.db2.gz NHRRRWYPPANVQA-LBPRGKRZSA-N 0 3 383.242 3.868 20 5 GHBDHN CC(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000024745469 843627627 /nfs/dbraw/zinc/62/76/27/843627627.db2.gz YXFUOVNMHPZSOU-FQEVSTJZSA-N 0 3 382.464 3.799 20 5 GHBDHN COc1cccc(NC2CCN(CCOc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000500703541 843852968 /nfs/dbraw/zinc/85/29/68/843852968.db2.gz WMCXILMNVCCGMV-UHFFFAOYSA-N 0 3 389.427 3.698 20 5 GHBDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433305331 843993203 /nfs/dbraw/zinc/99/32/03/843993203.db2.gz PSWYXZCBIMGNIY-VLIAUNLRSA-N 0 3 392.459 3.705 20 5 GHBDHN CCOc1ccc2c(c1)[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000614160811 844794779 /nfs/dbraw/zinc/79/47/79/844794779.db2.gz HTUMBEATWIWGNB-KUHUBIRLSA-N 0 3 399.447 3.824 20 5 GHBDHN CCOc1ccc([C@@H](C)NC[C@H](O)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000611248145 845178128 /nfs/dbraw/zinc/17/81/28/845178128.db2.gz GHHUBILXFUQVNH-AEFFLSMTSA-N 0 3 388.464 3.701 20 5 GHBDHN Cc1c([C@@H](C)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000119494816 845400602 /nfs/dbraw/zinc/40/06/02/845400602.db2.gz QELOYQHCNRRQGI-IEBWSBKVSA-N 0 3 381.476 3.788 20 5 GHBDHN CC1(C)C[C@@H](NCc2ccc(CN3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433147840 845505894 /nfs/dbraw/zinc/50/58/94/845505894.db2.gz DUJAZUNPSPMXMU-JOCHJYFZSA-N 0 3 395.503 3.939 20 5 GHBDHN COc1ccc(CN(C)CCOc2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000065533974 845771343 /nfs/dbraw/zinc/77/13/43/845771343.db2.gz XHKWZDGHADJECM-UHFFFAOYSA-N 0 3 382.363 3.716 20 5 GHBDHN COc1ccc(OCCN[C@@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000539245446 846033362 /nfs/dbraw/zinc/03/33/62/846033362.db2.gz BNASEPLWOOLXKO-LBPRGKRZSA-N 0 3 382.363 3.934 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H](C)[C@@H]2CCCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000502664634 846326323 /nfs/dbraw/zinc/32/63/23/846326323.db2.gz QUTVTPGXDNUIDO-HGHGUNKESA-N 0 3 397.475 3.988 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000555719919 861688529 /nfs/dbraw/zinc/68/85/29/861688529.db2.gz OWYKANQSFSKKNR-IERDGZPVSA-N 0 3 399.491 3.906 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(Cl)c(F)c1 ZINC000127627953 847173033 /nfs/dbraw/zinc/17/30/33/847173033.db2.gz OPJPOIZOLYIIPV-UHFFFAOYSA-N 0 3 395.818 3.857 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000162941202 849721772 /nfs/dbraw/zinc/72/17/72/849721772.db2.gz JZLSSXPGUYEEQL-JKSUJKDBSA-N 0 3 397.475 3.972 20 5 GHBDHN C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000505587029 849973643 /nfs/dbraw/zinc/97/36/43/849973643.db2.gz LCJXXPXUHUKMRF-SJCJKPOMSA-N 0 3 393.390 3.617 20 5 GHBDHN CC(C)(C)Oc1cc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000487076524 850427896 /nfs/dbraw/zinc/42/78/96/850427896.db2.gz SFYGSOGIRPCLLZ-RBUKOAKNSA-N 0 3 399.491 3.819 20 5 GHBDHN C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H](C)C1 ZINC000436101682 851199992 /nfs/dbraw/zinc/19/99/92/851199992.db2.gz QMXOKPFRDFQPCT-HOTGVXAUSA-N 0 3 377.488 3.532 20 5 GHBDHN CC(C)c1ccc(CNC[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000604476865 862220993 /nfs/dbraw/zinc/22/09/93/862220993.db2.gz GQGYHBSOZMRSQO-FQEVSTJZSA-N 0 3 383.492 3.709 20 5 GHBDHN O=C(CN(C1CCC1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000429181633 862401453 /nfs/dbraw/zinc/40/14/53/862401453.db2.gz LWKQIGUPXADKMB-UHFFFAOYSA-N 0 3 382.258 3.703 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000507628695 853124661 /nfs/dbraw/zinc/12/46/61/853124661.db2.gz GFSXAKMWJLEIHE-WBVHZDCISA-N 0 3 385.489 3.639 20 5 GHBDHN Cn1cc(CN2CC[C@@H](COc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507715256 853218556 /nfs/dbraw/zinc/21/85/56/853218556.db2.gz BIGXWKVJCYQEGF-QGZVFWFLSA-N 0 3 392.459 3.896 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760658156 853696843 /nfs/dbraw/zinc/69/68/43/853696843.db2.gz RUCOXFRSIALXTB-KRWDZBQOSA-N 0 3 387.867 3.985 20 5 GHBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000571256291 853817166 /nfs/dbraw/zinc/81/71/66/853817166.db2.gz OOZDKTZPVVRBAL-CQSZACIVSA-N 0 3 391.418 3.567 20 5 GHBDHN Cc1ccc(N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c([N+](=O)[O-])c1 ZINC000856534691 881344217 /nfs/dbraw/zinc/34/42/17/881344217.db2.gz ASPGWNKTEOCJLO-LJQANCHMSA-N 0 3 384.480 3.796 20 5 GHBDHN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCN(c2ccnc3ccccc32)CC1 ZINC000588841001 854543386 /nfs/dbraw/zinc/54/33/86/854543386.db2.gz BAYSKDREUYAEBN-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNCc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000588929764 854598364 /nfs/dbraw/zinc/59/83/64/854598364.db2.gz DFPXBSKJKZTVNW-FQEVSTJZSA-N 0 3 375.444 3.914 20 5 GHBDHN COC[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000765848122 855554030 /nfs/dbraw/zinc/55/40/30/855554030.db2.gz FQQOJYKOOPEJGY-SJORKVTESA-N 0 3 384.354 3.624 20 5 GHBDHN COC(=O)COc1ccc(CN([C@@H](C)c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000573046273 855701701 /nfs/dbraw/zinc/70/17/01/855701701.db2.gz WOLHUXCAFCJSPF-HNNXBMFYSA-N 0 3 384.432 3.872 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733107722 862722426 /nfs/dbraw/zinc/72/24/26/862722426.db2.gz VTNBONQUGSGCET-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN COC(=O)COc1ccc(CN2C[C@@H](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000574765496 855849130 /nfs/dbraw/zinc/84/91/30/855849130.db2.gz LXNBIYZHNADMGF-YJBOKZPZSA-N 0 3 384.432 3.730 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CCOc1ccccc1F)[C@H]1CC[C@H](O)CC1 ZINC000592131057 856671737 /nfs/dbraw/zinc/67/17/37/856671737.db2.gz SIMGFBGNRWEKGV-IYARVYRRSA-N 0 3 388.439 3.918 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CCOCC1CCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132579 856676327 /nfs/dbraw/zinc/67/63/27/856676327.db2.gz KNTVNQQXIJTKRI-MXVIHJGJSA-N 0 3 376.497 3.907 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592189244 856792691 /nfs/dbraw/zinc/79/26/91/856792691.db2.gz YYASNRGIYNQGDF-NQIIRXRSSA-N 0 3 380.444 3.728 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173349922 856877636 /nfs/dbraw/zinc/87/76/36/856877636.db2.gz CELOXDOTZHMMSV-MLGOLLRUSA-N 0 3 384.354 3.704 20 5 GHBDHN CCN1CCN(c2ccc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cc2)CC1 ZINC000173612561 857030527 /nfs/dbraw/zinc/03/05/27/857030527.db2.gz DJIMXUFDILWKEN-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN CC(C)c1n[nH]c(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592872884 857119173 /nfs/dbraw/zinc/11/91/73/857119173.db2.gz MQUUBWNOUJEHAR-QGZVFWFLSA-N 0 3 399.495 3.566 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000542958715 857168297 /nfs/dbraw/zinc/16/82/97/857168297.db2.gz IABJXHRGOUVYAI-INIZCTEOSA-N 0 3 392.481 3.870 20 5 GHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000059287210 858279915 /nfs/dbraw/zinc/27/99/15/858279915.db2.gz YPPICSAGIICKJC-NRFANRHFSA-N 0 3 395.503 3.727 20 5 GHBDHN CC(C)(C)O[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000595778775 858685421 /nfs/dbraw/zinc/68/54/21/858685421.db2.gz VCTPVUYZZZLGPY-HZPDHXFCSA-N 0 3 395.887 3.903 20 5 GHBDHN COc1ccc(C[C@H](C)NCc2cn(Cc3ccc(F)cc3)cn2)c([N+](=O)[O-])c1 ZINC001170322388 881359071 /nfs/dbraw/zinc/35/90/71/881359071.db2.gz FPUMACWPJBOYDF-HNNXBMFYSA-N 0 3 398.438 3.708 20 5 GHBDHN CCN(C)Cc1cc(O[C@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552960 881377219 /nfs/dbraw/zinc/37/72/19/881377219.db2.gz IZWMEJULVIYVLB-LHFJYWTJSA-N 0 3 396.491 3.608 20 5 GHBDHN Cc1ccc(OC2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000116883424 859209468 /nfs/dbraw/zinc/20/94/68/859209468.db2.gz JZFXHZWLDGUQCG-UHFFFAOYSA-N 0 3 383.448 3.775 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CCCCC2)C1=O ZINC000611337128 859711831 /nfs/dbraw/zinc/71/18/31/859711831.db2.gz UVWQSKXIIZVKCM-RDJZCZTQSA-N 0 3 391.537 3.989 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000765482138 859995212 /nfs/dbraw/zinc/99/52/12/859995212.db2.gz BVIWZKDNAFUKDP-UHFFFAOYSA-N 0 3 389.883 3.885 20 5 GHBDHN CCN(CC)C(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000092592863 860084712 /nfs/dbraw/zinc/08/47/12/860084712.db2.gz MYQQSYYMIAYUJY-UHFFFAOYSA-N 0 3 385.464 3.935 20 5 GHBDHN CC(C)COC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccco1 ZINC000602535690 860104975 /nfs/dbraw/zinc/10/49/75/860104975.db2.gz XQRUBPDKZXDNNU-GOSISDBHSA-N 0 3 388.468 3.555 20 5 GHBDHN CN(CCOCc1ccccc1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000154691430 860234043 /nfs/dbraw/zinc/23/40/43/860234043.db2.gz GOCBGFQGMZJTDD-UHFFFAOYSA-N 0 3 381.432 3.941 20 5 GHBDHN CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1 ZINC000019625525 860291504 /nfs/dbraw/zinc/29/15/04/860291504.db2.gz WDCSKYORDWEMRP-CXAGYDPISA-N 0 3 387.436 3.680 20 5 GHBDHN Cc1cc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000025536285 860535040 /nfs/dbraw/zinc/53/50/40/860535040.db2.gz OCVQRJZMVDFUHX-OAQYLSRUSA-N 0 3 381.476 3.716 20 5 GHBDHN CN1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301426654 860567065 /nfs/dbraw/zinc/56/70/65/860567065.db2.gz PCQQFQJAXJHQBD-YPMHNXCESA-N 0 3 377.495 3.861 20 5 GHBDHN COC(=O)COc1ccc(CNC2(c3ccccc3C)CCC2)cc1[N+](=O)[O-] ZINC000593642992 860667509 /nfs/dbraw/zinc/66/75/09/860667509.db2.gz VKGPIHGLAOWFNH-UHFFFAOYSA-N 0 3 384.432 3.624 20 5 GHBDHN COc1ccc(CN2CC[C@@H]2CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000599068180 860775519 /nfs/dbraw/zinc/77/55/19/860775519.db2.gz LNKAQDQFSUEZOU-MAUKXSAKSA-N 0 3 385.464 3.537 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000557039185 881610167 /nfs/dbraw/zinc/61/01/67/881610167.db2.gz YINXKOOYKZRZFS-APWZRJJASA-N 0 3 381.476 3.652 20 5 GHBDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000062368710 863312523 /nfs/dbraw/zinc/31/25/23/863312523.db2.gz YEBDGGCNDDEPMN-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN CC[C@@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594039678 863869370 /nfs/dbraw/zinc/86/93/70/863869370.db2.gz BSOROXUVQNHEFF-HIFRSBDPSA-N 0 3 388.411 3.685 20 5 GHBDHN Cc1ccccc1C[C@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000734145093 864033708 /nfs/dbraw/zinc/03/37/08/864033708.db2.gz JQZIQHPAYBRTSC-HXUWFJFHSA-N 0 3 377.448 3.826 20 5 GHBDHN CC1CCC(N2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000734641378 864361309 /nfs/dbraw/zinc/36/13/09/864361309.db2.gz AMRRSJBZESZIMF-UHFFFAOYSA-N 0 3 380.876 3.976 20 5 GHBDHN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475322598 864753074 /nfs/dbraw/zinc/75/30/74/864753074.db2.gz PTRCRZLAPLOSQW-IBGZPJMESA-N 0 3 394.475 3.516 20 5 GHBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000608877182 865784068 /nfs/dbraw/zinc/78/40/68/865784068.db2.gz QQICTGTYUGGODJ-FUHWJXTLSA-N 0 3 382.464 3.596 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C)cc1 ZINC000534248951 866372379 /nfs/dbraw/zinc/37/23/79/866372379.db2.gz LKCNOFMSAKANOD-LJQANCHMSA-N 0 3 380.448 3.671 20 5 GHBDHN CC(C)(C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000523484715 867383102 /nfs/dbraw/zinc/38/31/02/867383102.db2.gz BZLAZSIYXXQZLF-HXUWFJFHSA-N 0 3 381.476 3.826 20 5 GHBDHN COc1ccc(OCCN2CCCN(c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000743843210 868458333 /nfs/dbraw/zinc/45/83/33/868458333.db2.gz QTVKPHLQLNGTHX-UHFFFAOYSA-N 0 3 385.464 3.503 20 5 GHBDHN CN1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000535361689 868625067 /nfs/dbraw/zinc/62/50/67/868625067.db2.gz FYEYJQAECNGCIH-SFTDATJTSA-N 0 3 396.491 3.662 20 5 GHBDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000183965698 868835839 /nfs/dbraw/zinc/83/58/39/868835839.db2.gz DPOFSEQMHUAUDD-AWEZNQCLSA-N 0 3 391.418 3.567 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475635911 869053978 /nfs/dbraw/zinc/05/39/78/869053978.db2.gz DNUSNNMASQLNBZ-GOSISDBHSA-N 0 3 382.464 3.950 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000462370813 869305657 /nfs/dbraw/zinc/30/56/57/869305657.db2.gz RUUASZXVFNFRST-UHFFFAOYSA-N 0 3 384.480 3.618 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181208820 870281754 /nfs/dbraw/zinc/28/17/54/870281754.db2.gz VQJSGYQYMQANGF-UZLBHIALSA-N 0 3 383.448 3.599 20 5 GHBDHN CC(C)C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000544449633 870439361 /nfs/dbraw/zinc/43/93/61/870439361.db2.gz OYBSIAPMMYSOHM-CYBMUJFWSA-N 0 3 391.449 3.701 20 5 GHBDHN CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000525408855 870642468 /nfs/dbraw/zinc/64/24/68/870642468.db2.gz PYDKBALMZVKGMQ-JQHSSLGASA-N 0 3 386.452 3.670 20 5 GHBDHN COCC[C@@]1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000447057729 870932891 /nfs/dbraw/zinc/93/28/91/870932891.db2.gz QTGXTOVOHLTWJP-HXUWFJFHSA-N 0 3 390.411 3.811 20 5 GHBDHN COc1ccc(OCCN(Cc2ccccc2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441238623 871360433 /nfs/dbraw/zinc/36/04/33/871360433.db2.gz ZANAIXAVJCYUSU-IBGZPJMESA-N 0 3 386.448 3.663 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462182814 871784340 /nfs/dbraw/zinc/78/43/40/871784340.db2.gz QJWFXNHWUHNQDP-ZNLUXHQJSA-N 0 3 395.503 3.800 20 5 GHBDHN CSc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462183491 871786552 /nfs/dbraw/zinc/78/65/52/871786552.db2.gz BXSQUIYPAAKNAP-YOEHRIQHSA-N 0 3 385.489 3.567 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000182404421 872308292 /nfs/dbraw/zinc/30/82/92/872308292.db2.gz HTDBOLNCODVTIY-SWLSCSKDSA-N 0 3 384.354 3.704 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000463965732 872979244 /nfs/dbraw/zinc/97/92/44/872979244.db2.gz AXNUOIHPDQZIQL-GOSISDBHSA-N 0 3 382.464 3.950 20 5 GHBDHN Cc1cc(F)cc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000769510687 874118185 /nfs/dbraw/zinc/11/81/85/874118185.db2.gz BYPNKXNOWBLMBJ-IBGZPJMESA-N 0 3 387.455 3.929 20 5 GHBDHN Cc1cc(Br)ccc1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000769831222 874314200 /nfs/dbraw/zinc/31/42/00/874314200.db2.gz GDEUQMQHOHXSNI-KRWDZBQOSA-N 0 3 379.254 3.831 20 5 GHBDHN C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccco2)C1 ZINC000464857461 874654708 /nfs/dbraw/zinc/65/47/08/874654708.db2.gz NTNQLYMRCRDPCN-GDBMZVCRSA-N 0 3 385.420 3.959 20 5 GHBDHN C[C@@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000550939160 882858161 /nfs/dbraw/zinc/85/81/61/882858161.db2.gz OKBBRFXPXGQRFG-CYBMUJFWSA-N 0 3 382.869 3.763 20 5 GHBDHN C[C@H]1CN(CCCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000443666216 874771488 /nfs/dbraw/zinc/77/14/88/874771488.db2.gz SAMPYRPBHILCPD-HOTGVXAUSA-N 0 3 391.512 3.512 20 5 GHBDHN O=[N+]([O-])c1cc(CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)cs1 ZINC000449754397 875354268 /nfs/dbraw/zinc/35/42/68/875354268.db2.gz JQQPGDHPTKTNSB-LSDHHAIUSA-N 0 3 385.411 3.776 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000449785876 875407397 /nfs/dbraw/zinc/40/73/97/875407397.db2.gz JPOVEMUXHIKOCW-UHFFFAOYSA-N 0 3 389.418 3.842 20 5 GHBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850585639 877059178 /nfs/dbraw/zinc/05/91/78/877059178.db2.gz XRWDBIUWUGXXBJ-QFYYESIMSA-N 0 3 384.354 3.795 20 5 GHBDHN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086376 878168038 /nfs/dbraw/zinc/16/80/38/878168038.db2.gz SBXIBKCTXIMORQ-FXAWDEMLSA-N 0 3 389.496 3.860 20 5 GHBDHN CN(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccc(Cl)cc1 ZINC000531334082 879641646 /nfs/dbraw/zinc/64/16/46/879641646.db2.gz HOSMIQSLUSHLFD-SFHVURJKSA-N 0 3 388.855 3.848 20 5 GHBDHN C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000790993979 880123443 /nfs/dbraw/zinc/12/34/43/880123443.db2.gz NFSHXLILWLPOKP-BLVKFPJESA-N 0 3 393.846 3.737 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOc2ccc3c(c2)OCO3)o1 ZINC000520204816 880211552 /nfs/dbraw/zinc/21/15/52/880211552.db2.gz INENEUVQDDUACK-UHFFFAOYSA-N 0 3 382.372 3.752 20 5 GHBDHN Cn1cnc(CCNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000531777980 880465516 /nfs/dbraw/zinc/46/55/16/880465516.db2.gz UUGVGXYXXWBXBM-UHFFFAOYSA-N 0 3 387.827 3.501 20 5 GHBDHN C[C@@H](CC[S@@](C)=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000532119515 881230934 /nfs/dbraw/zinc/23/09/34/881230934.db2.gz BCFKQGQKQDLPLK-WHDAMIPWSA-N 0 3 380.441 3.773 20 5 GHBDHN CN(C)CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000609724471 883596298 /nfs/dbraw/zinc/59/62/98/883596298.db2.gz SFFUHFIHYGVPCV-UHFFFAOYSA-N 0 3 391.855 3.612 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCN1Cc1ccccc1 ZINC000609787713 883681858 /nfs/dbraw/zinc/68/18/58/883681858.db2.gz VGDLOUDJVHXTKO-GOSISDBHSA-N 0 3 387.867 3.572 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000153481119 885817486 /nfs/dbraw/zinc/81/74/86/885817486.db2.gz RTCGHNFORIFUGY-MSOLQXFVSA-N 0 3 383.492 3.975 20 5 GHBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000495473042 885870680 /nfs/dbraw/zinc/87/06/80/885870680.db2.gz BXILPXANYJQLNM-UHFFFAOYSA-N 0 3 384.480 3.621 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000550685391 885884822 /nfs/dbraw/zinc/88/48/22/885884822.db2.gz MIGPVMWRBSUVPD-UHFFFAOYSA-N 0 3 398.301 3.612 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(Cl)c1 ZINC000808798831 886796940 /nfs/dbraw/zinc/79/69/40/886796940.db2.gz CDKWXHRRHLSMLZ-QGZVFWFLSA-N 0 3 395.818 3.693 20 5 GHBDHN CC1(C)C[C@H](NCc2ccc(CN3CCNC3=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000866575700 888946210 /nfs/dbraw/zinc/94/62/10/888946210.db2.gz CBUDIESGQPMROR-FQEVSTJZSA-N 0 3 394.475 3.632 20 5 GHBDHN O=C(NCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccc(O)c1 ZINC000811477531 889664540 /nfs/dbraw/zinc/66/45/40/889664540.db2.gz USKBSRPELDMTLI-UHFFFAOYSA-N 0 3 398.246 3.517 20 5 GHBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001170678880 890684294 /nfs/dbraw/zinc/68/42/94/890684294.db2.gz HOJKZYQQJYWHSS-JTQLQIEISA-N 0 3 384.827 3.788 20 5 GHBDHN COc1ccc([C@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000796173152 913540017 /nfs/dbraw/zinc/54/00/17/913540017.db2.gz UZNORMCJTOJAOB-LJQANCHMSA-N 0 3 389.839 3.936 20 5 GHBDHN C[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Br)cc1F ZINC000877522355 893664946 /nfs/dbraw/zinc/66/49/46/893664946.db2.gz DFGCBCBHIWXVCN-GCVQQVDUSA-N 0 3 383.221 3.747 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000536754468 893735063 /nfs/dbraw/zinc/73/50/63/893735063.db2.gz AUQGWTSBHAVSKU-SFHVURJKSA-N 0 3 385.464 3.589 20 5 GHBDHN C[C@@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572366 894039809 /nfs/dbraw/zinc/03/98/09/894039809.db2.gz BGDJTUKTQLPDAV-CQSZACIVSA-N 0 3 391.431 3.675 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)CC1 ZINC000817424179 895591217 /nfs/dbraw/zinc/59/12/17/895591217.db2.gz XJROEGHARYGXGS-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN COc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(OC2CCCC2)c1 ZINC000819129761 896429129 /nfs/dbraw/zinc/42/91/29/896429129.db2.gz OFLTWLUDEYRNHX-FQEVSTJZSA-N 0 3 386.448 3.748 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000568662760 898018730 /nfs/dbraw/zinc/01/87/30/898018730.db2.gz JNBWGCBWDWUNJV-CXAGYDPISA-N 0 3 396.365 3.630 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000568662763 898018955 /nfs/dbraw/zinc/01/89/55/898018955.db2.gz JNBWGCBWDWUNJV-SUMWQHHRSA-N 0 3 396.365 3.630 20 5 GHBDHN CC(C)N1CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC001136586885 898376685 /nfs/dbraw/zinc/37/66/85/898376685.db2.gz BABOWJJWEAUGFS-UHFFFAOYSA-N 0 3 378.231 3.597 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000331929356 899271176 /nfs/dbraw/zinc/27/11/76/899271176.db2.gz DEQHHKJMZJKPFW-CRAIPNDOSA-N 0 3 391.537 3.899 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000331929360 899271492 /nfs/dbraw/zinc/27/14/92/899271492.db2.gz DEQHHKJMZJKPFW-MAUKXSAKSA-N 0 3 391.537 3.899 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000572383912 900163975 /nfs/dbraw/zinc/16/39/75/900163975.db2.gz SDCIRUSSMRQDNM-RTBURBONSA-N 0 3 397.406 3.739 20 5 GHBDHN C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000290049179 914498198 /nfs/dbraw/zinc/49/81/98/914498198.db2.gz DHFUPMJBQQBLKD-MGPUTAFESA-N 0 3 395.459 3.606 20 5 GHBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000575353884 901207236 /nfs/dbraw/zinc/20/72/36/901207236.db2.gz GQSPILOQRCBRCF-QFIPXVFZSA-N 0 3 379.460 3.900 20 5 GHBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000093442322 901546848 /nfs/dbraw/zinc/54/68/48/901546848.db2.gz KCOYVLVCGPERHE-HXUWFJFHSA-N 0 3 380.448 3.551 20 5 GHBDHN CCOc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845872780 902473492 /nfs/dbraw/zinc/47/34/92/902473492.db2.gz OBMKOCFCDIKBRC-GTNSWQLSSA-N 0 3 392.339 3.696 20 5 GHBDHN CC([C@@H](OC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872174 902473964 /nfs/dbraw/zinc/47/39/64/902473964.db2.gz DFPTUCSFAZYXFU-KZULUSFZSA-N 0 3 386.379 3.738 20 5 GHBDHN CC([C@H](OC(=O)c1cc(Cl)nc(N(C)C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845873729 902474990 /nfs/dbraw/zinc/47/49/90/902474990.db2.gz FPDPKYWWMPRCTC-QFYYESIMSA-N 0 3 381.791 3.503 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F)[N+](=O)[O-] ZINC000845874254 902477789 /nfs/dbraw/zinc/47/77/89/902477789.db2.gz GNKFDSMNBSNZCJ-PSVSLLHZSA-N 0 3 394.330 3.926 20 5 GHBDHN CC([C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874838 902478331 /nfs/dbraw/zinc/47/83/31/902478331.db2.gz IXOYRXGWNASTLV-XIKOKIGWSA-N 0 3 376.340 3.616 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(OC(C)(C)C)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883527 902486402 /nfs/dbraw/zinc/48/64/02/902486402.db2.gz UMBADVVZDJGWFH-SJKOYZFVSA-N 0 3 376.384 3.961 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000048322266 903343637 /nfs/dbraw/zinc/34/36/37/903343637.db2.gz QXSFGVWMRUYILX-UHFFFAOYSA-N 0 3 392.459 3.733 20 5 GHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847013191 903396454 /nfs/dbraw/zinc/39/64/54/903396454.db2.gz GMYSOUWOAGVDRE-HNNXBMFYSA-N 0 3 375.469 3.989 20 5 GHBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000578670170 904037329 /nfs/dbraw/zinc/03/73/29/904037329.db2.gz NLJYLBRAPVFXIY-SFHVURJKSA-N 0 3 387.484 3.767 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](CO)c2cccc(Cl)c2)c1F ZINC001173185640 906266309 /nfs/dbraw/zinc/26/63/09/906266309.db2.gz BRYSMJRCVSCZCS-IAQYHMDHSA-N 0 3 382.819 3.650 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1I ZINC001173219279 906295946 /nfs/dbraw/zinc/29/59/46/906295946.db2.gz MVKQYHQBHRJGSD-LBPRGKRZSA-N 0 3 396.228 3.920 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001173225966 906309596 /nfs/dbraw/zinc/30/95/96/906309596.db2.gz GTPGSTHFKVMLRY-WCQYABFASA-N 0 3 384.358 3.807 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001173228538 906313226 /nfs/dbraw/zinc/31/32/26/906313226.db2.gz XMGBIRPBFLHPEJ-ZDUSSCGKSA-N 0 3 376.844 3.513 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1 ZINC000190802825 906318349 /nfs/dbraw/zinc/31/83/49/906318349.db2.gz OBOFOFZXWWJUPB-UHFFFAOYSA-N 0 3 396.491 3.994 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000178461897 906345652 /nfs/dbraw/zinc/34/56/52/906345652.db2.gz KHAHTHXIAKYTIJ-UONOGXRCSA-N 0 3 377.466 3.687 20 5 GHBDHN CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178686048 906372741 /nfs/dbraw/zinc/37/27/41/906372741.db2.gz YDQGVNQYEHDAPF-ZIAGYGMSSA-N 0 3 377.466 3.768 20 5 GHBDHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1ccc([N+](=O)[O-])cc1F ZINC001176589171 908169457 /nfs/dbraw/zinc/16/94/57/908169457.db2.gz VGDGLMDOPHHVJJ-QGZVFWFLSA-N 0 3 397.244 3.580 20 5 GHBDHN COC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000193667671 908614246 /nfs/dbraw/zinc/61/42/46/908614246.db2.gz ZAIVLXMYIPEYJE-INIZCTEOSA-N 0 3 380.828 3.613 20 5 GHBDHN COC(=O)/C=C/c1ccc(OCCNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000795220571 909361191 /nfs/dbraw/zinc/36/11/91/909361191.db2.gz RZACOWRIKJHMAM-JLHYYAGUSA-N 0 3 384.432 3.685 20 5 GHBDHN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366339713 921514608 /nfs/dbraw/zinc/51/46/08/921514608.db2.gz CIGUSLLLNYELDA-UHFFFAOYSA-N 0 3 386.374 3.522 20 5 GHBDHN CCOC(=O)[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001180933878 910436423 /nfs/dbraw/zinc/43/64/23/910436423.db2.gz CZQCXILWAOKCCH-IBGZPJMESA-N 0 3 376.840 3.859 20 5 GHBDHN C[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000270116392 910446607 /nfs/dbraw/zinc/44/66/07/910446607.db2.gz NSLXBNBBFHLCAU-POXGOYDTSA-N 0 3 398.488 3.584 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC001181286534 910682163 /nfs/dbraw/zinc/68/21/63/910682163.db2.gz SUDFPCMKJXTQMR-NSHDSACASA-N 0 3 388.773 3.606 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271678384 911011564 /nfs/dbraw/zinc/01/15/64/911011564.db2.gz BJGOUODBCUPEFU-KRWDZBQOSA-N 0 3 396.491 3.962 20 5 GHBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H]1CCCCN1CC ZINC001181997204 911117246 /nfs/dbraw/zinc/11/72/46/911117246.db2.gz GJDOKJBWNSXGNS-HXUWFJFHSA-N 0 3 392.503 3.769 20 5 GHBDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(NS(C)(=O)=O)c1 ZINC000774143249 911438826 /nfs/dbraw/zinc/43/88/26/911438826.db2.gz LULJAWIOQBDILP-DJJJIMSYSA-N 0 3 389.477 3.695 20 5 GHBDHN Cc1nc2ccccc2n1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796463125 917534824 /nfs/dbraw/zinc/53/48/24/917534824.db2.gz FJRLCGOYVVFISD-OAQYLSRUSA-N 0 3 380.448 3.623 20 5 GHBDHN CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC001191257738 917852887 /nfs/dbraw/zinc/85/28/87/917852887.db2.gz KPZHYZIANNDPMI-GJYPPUQNSA-N 0 3 388.464 3.963 20 5 GHBDHN O=C(CN1CCC[C@H]1CCCc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001192214429 918542657 /nfs/dbraw/zinc/54/26/57/918542657.db2.gz OVAQGURQEPPGAR-HXUWFJFHSA-N 0 3 393.487 3.971 20 5 GHBDHN COc1ccc(NC(=O)CCN2CC[C@@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411294547 926280081 /nfs/dbraw/zinc/28/00/81/926280081.db2.gz IFDMOTJZAFAXFP-RDTXWAMCSA-N 0 3 387.436 3.998 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411595244 926539561 /nfs/dbraw/zinc/53/95/61/926539561.db2.gz XUZRDNUYPDWQRZ-DPDLHNOKSA-N 0 3 379.460 3.650 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000749684394 927236396 /nfs/dbraw/zinc/23/63/96/927236396.db2.gz BWDXJOOWZJKLJU-IBGZPJMESA-N 0 3 383.379 3.744 20 5 GHBDHN Cc1c(CN2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000750283702 927533086 /nfs/dbraw/zinc/53/30/86/927533086.db2.gz LUBRVMNODPGDRB-INIZCTEOSA-N 0 3 377.485 3.982 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000412562961 927579346 /nfs/dbraw/zinc/57/93/46/927579346.db2.gz XYYKAWGKDUBSJV-UHFFFAOYSA-N 0 3 377.391 3.851 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N(CCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC000753034866 929166730 /nfs/dbraw/zinc/16/67/30/929166730.db2.gz CUWXKBASUVCRCO-GOSISDBHSA-N 0 3 398.507 3.780 20 5 GHBDHN CSc1ccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467696736 929311723 /nfs/dbraw/zinc/31/17/23/929311723.db2.gz JOUHELFJYBWHNQ-WMLDXEAASA-N 0 3 385.489 3.710 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000469451400 929905300 /nfs/dbraw/zinc/90/53/00/929905300.db2.gz AVCJBGXZXBCQMS-AWEZNQCLSA-N 0 3 389.402 4.000 20 5 GHBDHN COc1cc(CNC2Cc3ccccc3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000546582421 930276655 /nfs/dbraw/zinc/27/66/55/930276655.db2.gz ALOBXEPBPRLDCA-UHFFFAOYSA-N 0 3 378.375 3.504 20 5 GHBDHN CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546904650 930521194 /nfs/dbraw/zinc/52/11/94/930521194.db2.gz AMJBWQTZMVNYTP-KRWDZBQOSA-N 0 3 392.459 3.813 20 5 GHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470825481 930945720 /nfs/dbraw/zinc/94/57/20/930945720.db2.gz SJRXVMUSBCBCLK-QRTARXTBSA-N 0 3 378.473 3.657 20 5 GHBDHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1Oc1ccccc1 ZINC000783680294 931615861 /nfs/dbraw/zinc/61/58/61/931615861.db2.gz WAOYERYGKQSUOV-QXAKKESOSA-N 0 3 376.840 3.963 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccco1 ZINC000557912680 931750689 /nfs/dbraw/zinc/75/06/89/931750689.db2.gz XCMHKYLEDNZLSV-DOMZBBRYSA-N 0 3 377.466 3.769 20 5 GHBDHN CC(C)(COCc1ccccc1)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000799187278 932905439 /nfs/dbraw/zinc/90/54/39/932905439.db2.gz PXADAUDWEZXDCJ-UHFFFAOYSA-N 0 3 391.855 3.772 20 5 GHBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000560180666 933114544 /nfs/dbraw/zinc/11/45/44/933114544.db2.gz IXBRZBPZHOUDGL-GUYCJALGSA-N 0 3 376.840 3.758 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000468475213 1015736301 /nfs/dbraw/zinc/73/63/01/1015736301.db2.gz NNDPGRCMCAPZMV-KRWDZBQOSA-N 0 3 379.526 3.946 20 5 GHBDHN C[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000470117956 1016727262 /nfs/dbraw/zinc/72/72/62/1016727262.db2.gz RQROJULGOOEVTB-OAHLLOKOSA-N 0 3 386.427 3.862 20 5 GHBDHN C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000564415243 1019072099 /nfs/dbraw/zinc/07/20/99/1019072099.db2.gz QZQCUTJWKLAUTO-QRWLVFNGSA-N 0 3 395.459 3.606 20 5 GHBDHN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000577345041 1020172030 /nfs/dbraw/zinc/17/20/30/1020172030.db2.gz YQCVBKDRGGRDIO-KRWDZBQOSA-N 0 3 397.479 3.661 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1Cl ZINC000836782898 1023363949 /nfs/dbraw/zinc/36/39/49/1023363949.db2.gz LPWQJEUCYQNMSM-UGSOOPFHSA-N 0 3 375.856 3.978 20 5 GHBDHN CCN1CCN(c2ccc(Nc3ncnc4sc([N+](=O)[O-])cc43)c(C)c2)CC1 ZINC001161947880 1025509293 /nfs/dbraw/zinc/50/92/93/1025509293.db2.gz PSEILEWZMCSXNS-UHFFFAOYSA-N 0 3 398.492 3.793 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001163273299 1026117592 /nfs/dbraw/zinc/11/75/92/1026117592.db2.gz NPENTKUAOXFEDM-HIFRSBDPSA-N 0 3 384.436 3.581 20 5 GHBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001163941821 1026367902 /nfs/dbraw/zinc/36/79/02/1026367902.db2.gz AIRAXQGCWPUBCZ-AWEZNQCLSA-N 0 3 397.401 3.814 20 5 GHBDHN COC(=O)c1cccc(CO[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001223664187 1030694490 /nfs/dbraw/zinc/69/44/90/1030694490.db2.gz GHJUDEUFYNLJDA-SFHVURJKSA-N 0 3 384.432 3.563 20 5 GHBDHN Cc1c(CN[C@H]2CCCN(C(=O)OCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000720703607 1031153230 /nfs/dbraw/zinc/15/32/30/1031153230.db2.gz QEYKJRRLXBYEKJ-IBGZPJMESA-N 0 3 383.448 3.794 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC001219317590 1031354576 /nfs/dbraw/zinc/35/45/76/1031354576.db2.gz GSVLSYGTWNIMAM-MAUKXSAKSA-N 0 3 398.463 3.778 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001225449634 1031420753 /nfs/dbraw/zinc/42/07/53/1031420753.db2.gz XFWZXIDXTYNCOC-QRWLVFNGSA-N 0 3 384.432 3.671 20 5 GHBDHN O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1OC1CCN(CCc2ccccc2)CC1 ZINC001225894219 1031679636 /nfs/dbraw/zinc/67/96/36/1031679636.db2.gz GJSVZKBHTFRSSQ-UHFFFAOYSA-N 0 3 389.383 3.728 20 5 GHBDHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001153719228 1031721305 /nfs/dbraw/zinc/72/13/05/1031721305.db2.gz OKTFORYSKABYHV-IBGZPJMESA-N 0 3 399.466 3.790 20 5 GHBDHN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1CN(C)C2 ZINC001229235689 1033357805 /nfs/dbraw/zinc/35/78/05/1033357805.db2.gz YALPQVMGHMZNJX-ATCWAGBWSA-N 0 3 397.269 3.669 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001206034505 1033697277 /nfs/dbraw/zinc/69/72/77/1033697277.db2.gz NNPNKQIIVDKDKD-MAUKXSAKSA-N 0 3 382.464 3.942 20 5 GHBDHN Cc1ccc(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001254242235 1040093545 /nfs/dbraw/zinc/09/35/45/1040093545.db2.gz WTUNUNGXTLDBCR-FQEVSTJZSA-N 0 3 396.491 3.709 20 5 GHBDHN COc1cccc(Cn2cnc(CN[C@@H](C)Cc3ccccc3[N+](=O)[O-])c2)c1 ZINC001254542714 1040312312 /nfs/dbraw/zinc/31/23/12/1040312312.db2.gz AFJVCHNIBHDKLK-INIZCTEOSA-N 0 3 380.448 3.569 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001254562822 1040336603 /nfs/dbraw/zinc/33/66/03/1040336603.db2.gz PMJMFLITCSDCLM-HNNXBMFYSA-N 0 3 377.485 3.905 20 5 GHBDHN Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1[N-]S(=O)(=O)C1CCOCC1 ZINC001259916261 1045334907 /nfs/dbraw/zinc/33/49/07/1045334907.db2.gz WECKSAIEZAJVRL-UHFFFAOYSA-N 0 3 399.516 3.683 20 5 GHBDHN C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC001296715294 1045360584 /nfs/dbraw/zinc/36/05/84/1045360584.db2.gz IFJQVZHIPCTJHT-DIFFPNOSSA-N 0 3 379.819 3.809 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001299105157 1046010819 /nfs/dbraw/zinc/01/08/19/1046010819.db2.gz CAYQXWJWRADXNR-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN CC[C@H](NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC001306818336 1048912971 /nfs/dbraw/zinc/91/29/71/1048912971.db2.gz YESUDOBEWFYMKO-VQTJNVASSA-N 0 3 385.464 3.910 20 5 GHBDHN Cc1ccccc1CN1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001306928415 1048963829 /nfs/dbraw/zinc/96/38/29/1048963829.db2.gz RWRQYXIDAWHWPR-UHFFFAOYSA-N 0 3 380.492 3.889 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC001307755192 1049570195 /nfs/dbraw/zinc/57/01/95/1049570195.db2.gz YKYBDOGEGKPOJF-OAUYIBNBSA-N 0 3 395.887 3.903 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308022783 1049773645 /nfs/dbraw/zinc/77/36/45/1049773645.db2.gz RXCRLZLUWNQZEY-DOTOQJQBSA-N 0 3 375.469 3.816 20 5 GHBDHN CC(C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1F ZINC001308080315 1049824209 /nfs/dbraw/zinc/82/42/09/1049824209.db2.gz IEALRKUFSKXDFG-UHFFFAOYSA-N 0 3 381.354 3.866 20 5 GHBDHN COc1cc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000903076192 1049958577 /nfs/dbraw/zinc/95/85/77/1049958577.db2.gz LFWJMTLSFBIORI-INIZCTEOSA-N 0 3 399.491 3.663 20 5 GHBDHN COc1ccc(CN2CC[C@@H]2CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001308869245 1050131915 /nfs/dbraw/zinc/13/19/15/1050131915.db2.gz MQXAVLHFVIHFTB-QGZVFWFLSA-N 0 3 375.856 3.621 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001310529287 1051422049 /nfs/dbraw/zinc/42/20/49/1051422049.db2.gz PPJURSBBKIOGQG-SFHVURJKSA-N 0 3 382.464 3.998 20 5 GHBDHN CCOc1cc(NC(=O)N2CCN(CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001310946984 1051725020 /nfs/dbraw/zinc/72/50/20/1051725020.db2.gz UOUPROSFWAGILE-UHFFFAOYSA-N 0 3 390.484 3.723 20 5 GHBDHN COc1ccccc1C1(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001337306689 1052444184 /nfs/dbraw/zinc/44/41/84/1052444184.db2.gz BOGVQXCNIFYYJJ-OAHLLOKOSA-N 0 3 383.448 3.990 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCc1ccccc1)CCN(C)C ZINC001354962849 1056996820 /nfs/dbraw/zinc/99/68/20/1056996820.db2.gz PVNGAXQAAMAIOA-UHFFFAOYSA-N 0 3 387.505 3.563 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001435195241 1062376369 /nfs/dbraw/zinc/37/63/69/1062376369.db2.gz ONLIUTXIGKBHGQ-RBBKRZOGSA-N 0 3 395.503 3.944 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001457538551 1063232278 /nfs/dbraw/zinc/23/22/78/1063232278.db2.gz PFBXLUBJNWULTD-IBGZPJMESA-N 0 3 395.503 3.995 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(COc3ccc(Cl)nc3)CC2)c1 ZINC001460041322 1064368673 /nfs/dbraw/zinc/36/86/73/1064368673.db2.gz UWDMXWMJXWKCBB-UHFFFAOYSA-N 0 3 391.855 3.813 20 5 GHBDHN C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001465485837 1065656480 /nfs/dbraw/zinc/65/64/80/1065656480.db2.gz ARWUKLHRZLJFTH-YHYVQYDKSA-N 0 3 393.487 3.821 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001465915923 1065920535 /nfs/dbraw/zinc/92/05/35/1065920535.db2.gz OIFGADPVGHAGLJ-GDBMZVCRSA-N 0 3 385.489 3.710 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466987984 1066430482 /nfs/dbraw/zinc/43/04/82/1066430482.db2.gz CGKAEGAZCXMSLZ-CRAIPNDOSA-N 0 3 398.463 3.778 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1Cl ZINC001360412249 1068490437 /nfs/dbraw/zinc/49/04/37/1068490437.db2.gz OQDQFUFNDMCZDE-INIZCTEOSA-N 0 3 387.867 3.951 20 5 GHBDHN CCCCO[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001460071315 1068759775 /nfs/dbraw/zinc/75/97/75/1068759775.db2.gz ADZLSHQIEOZEOM-HOTGVXAUSA-N 0 3 383.876 3.760 20 5 GHBDHN CC(C)(C)OC(=O)CC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC001460253604 1068886711 /nfs/dbraw/zinc/88/67/11/1068886711.db2.gz BRGCVROPCSHEJP-MRXNPFEDSA-N 0 3 378.469 3.808 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N(CCN(C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC001460772379 1069169292 /nfs/dbraw/zinc/16/92/92/1069169292.db2.gz PPYRFVCMVLEDIZ-UHFFFAOYSA-N 0 3 381.885 3.822 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001470781943 1072737961 /nfs/dbraw/zinc/73/79/61/1072737961.db2.gz YHJYZTODPCRMJP-DNVCBOLYSA-N 0 3 381.476 3.852 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC001472639001 1073590065 /nfs/dbraw/zinc/59/00/65/1073590065.db2.gz ZYTBHNLQMYXJDV-HXUWFJFHSA-N 0 3 399.447 3.639 20 5 GHBDHN Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001473178970 1073836245 /nfs/dbraw/zinc/83/62/45/1073836245.db2.gz BHDSIEAKICAGGJ-LZJOCLMNSA-N 0 3 379.460 3.887 20 5 GHBDHN C[C@](CO)(NCCOc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC001473471302 1073981192 /nfs/dbraw/zinc/98/11/92/1073981192.db2.gz CRGUWOMUYJDXMY-QGZVFWFLSA-N 0 3 385.247 3.778 20 5 GHBDHN Cc1ccc(CNC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001474239569 1074305909 /nfs/dbraw/zinc/30/59/09/1074305909.db2.gz BKPISDHZGZWHFF-ZDUSSCGKSA-N 0 3 391.390 3.839 20 5 GHBDHN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824547591 607816831 /nfs/dbraw/zinc/81/68/31/607816831.db2.gz QEDGXWXMMCEAFH-ZSZQSSIHSA-N 0 3 392.463 3.837 20 5 GHBDHN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824547591 607816832 /nfs/dbraw/zinc/81/68/32/607816832.db2.gz QEDGXWXMMCEAFH-ZSZQSSIHSA-N 0 3 392.463 3.837 20 5 GHBDHN O=C(CS[C@H]1CCCN(Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000581428965 837516229 /nfs/dbraw/zinc/51/62/29/837516229.db2.gz NCWUJLVSLKEFDE-KRWDZBQOSA-N 0 3 385.489 3.931 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000583637143 834783452 /nfs/dbraw/zinc/78/34/52/834783452.db2.gz CBHIJBDYHQZPEM-HXUWFJFHSA-N 0 3 383.448 3.560 20 5 GHBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H](c1ccccc1)N(C)C ZINC000471135252 834888154 /nfs/dbraw/zinc/88/81/54/834888154.db2.gz BDBVQSXVRQVTPW-VBKZILBWSA-N 0 3 378.432 3.564 20 5 GHBDHN C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000511309463 835189317 /nfs/dbraw/zinc/18/93/17/835189317.db2.gz PEPYHMNLIGOHRC-INIZCTEOSA-N 0 3 394.475 3.587 20 5 GHBDHN CNC(=O)c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000102424956 835371285 /nfs/dbraw/zinc/37/12/85/835371285.db2.gz UCPAJECXDSXKSW-UHFFFAOYSA-N 0 3 381.457 3.973 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(CO)CC3)o2)c(Br)c1 ZINC000127071920 835390846 /nfs/dbraw/zinc/39/08/46/835390846.db2.gz GHFVKHMEQNVXMH-UHFFFAOYSA-N 0 3 395.253 3.822 20 5 GHBDHN CCC[C@@H](N[C@H](C)Cn1ncc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000179513489 835849700 /nfs/dbraw/zinc/84/97/00/835849700.db2.gz DGXQOUHVOMMIQK-FOIQADDNSA-N 0 3 380.448 3.824 20 5 GHBDHN CSc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000411469508 836185437 /nfs/dbraw/zinc/18/54/37/836185437.db2.gz AJHXOTRWIQFICU-HOCLYGCPSA-N 0 3 376.478 3.716 20 5 GHBDHN CC1=C(c2ccco2)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000548930655 836213146 /nfs/dbraw/zinc/21/31/46/836213146.db2.gz WCRBSJJSAZLACE-UHFFFAOYSA-N 0 3 383.404 3.665 20 5 GHBDHN COc1cc(CN2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000612540301 836378258 /nfs/dbraw/zinc/37/82/58/836378258.db2.gz MAYMCEXCHRTZBW-GFCCVEGCSA-N 0 3 386.395 3.596 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000511404346 837043986 /nfs/dbraw/zinc/04/39/86/837043986.db2.gz AIEFONLHFQZZHK-OAHLLOKOSA-N 0 3 379.526 3.798 20 5 GHBDHN C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000180417076 837224411 /nfs/dbraw/zinc/22/44/11/837224411.db2.gz SBUPILMAHMFCPE-CQSZACIVSA-N 0 3 375.856 3.775 20 5 GHBDHN NCc1nn(-c2c3ccc(Br)cc3ncc2[N+](=O)[O-])c2ccccc12 ZINC001167698471 837292892 /nfs/dbraw/zinc/29/28/92/837292892.db2.gz ZGRNYMUXZYZVEN-UHFFFAOYSA-N 0 3 398.220 3.703 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000513078639 844335924 /nfs/dbraw/zinc/33/59/24/844335924.db2.gz YUDXALIHQGGUEP-ORYQWCPZSA-N 0 3 398.459 3.902 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472715432 839248959 /nfs/dbraw/zinc/24/89/59/839248959.db2.gz RNYWGWAKNMFPSJ-SFHVURJKSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412080500 839387825 /nfs/dbraw/zinc/38/78/25/839387825.db2.gz RBEFAVRIRYOTBN-VUCTXSBTSA-N 0 3 393.484 3.502 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCSc2ccc(Cl)cc21 ZINC000580372788 839408960 /nfs/dbraw/zinc/40/89/60/839408960.db2.gz NABNOSYEMOFFQX-HIFRSBDPSA-N 0 3 394.880 3.815 20 5 GHBDHN COC(=O)COc1ccc(CNCc2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC000579739572 839879054 /nfs/dbraw/zinc/87/90/54/839879054.db2.gz PXIMVXQCVTVWTC-UHFFFAOYSA-N 0 3 386.429 3.651 20 5 GHBDHN COc1ccc2c(c1)C1(CC1)CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000584689668 840564467 /nfs/dbraw/zinc/56/44/67/840564467.db2.gz YHFIYRQUXSODNP-UHFFFAOYSA-N 0 3 395.459 3.788 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1CN1CCOCC1)CCCC2 ZINC000417326284 840728605 /nfs/dbraw/zinc/72/86/05/840728605.db2.gz ROZVILDTJQHVCL-QHCPKHFHSA-N 0 3 395.503 3.984 20 5 GHBDHN CN(C)C(=O)COc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417333801 840736129 /nfs/dbraw/zinc/73/61/29/840736129.db2.gz ZDSOQTQTOOGOMZ-OAQYLSRUSA-N 0 3 397.475 3.619 20 5 GHBDHN O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1CC(F)(F)F ZINC000112100988 842193358 /nfs/dbraw/zinc/19/33/58/842193358.db2.gz CQZXELJAPPEVGH-AWEZNQCLSA-N 0 3 399.394 3.576 20 5 GHBDHN COc1cccc(C[C@@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000603867954 861297829 /nfs/dbraw/zinc/29/78/29/861297829.db2.gz GRILPQRZCTWMBR-SFHVURJKSA-N 0 3 384.432 3.677 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@H](CO)c3ccc(Cl)cc3)o2)c1 ZINC000572393858 843362039 /nfs/dbraw/zinc/36/20/39/843362039.db2.gz APBDBFSBKFSLLL-QGZVFWFLSA-N 0 3 387.823 3.769 20 5 GHBDHN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000603941102 861427322 /nfs/dbraw/zinc/42/73/22/861427322.db2.gz LMDAPXQRXATINX-FQEVSTJZSA-N 0 3 385.439 3.547 20 5 GHBDHN COc1cc(CN(C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000119422938 844661943 /nfs/dbraw/zinc/66/19/43/844661943.db2.gz ORPOKXOCPZHEMQ-GFCCVEGCSA-N 0 3 396.390 3.973 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000729245671 844810827 /nfs/dbraw/zinc/81/08/27/844810827.db2.gz YHWBGJGGXDTUNG-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000509777795 845136329 /nfs/dbraw/zinc/13/63/29/845136329.db2.gz RXQRNRHAXPZAKS-VQIMIIECSA-N 0 3 397.475 3.901 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H](C)[C@H]2CCCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000502664633 846326410 /nfs/dbraw/zinc/32/64/10/846326410.db2.gz QUTVTPGXDNUIDO-DJPFJPOOSA-N 0 3 397.475 3.988 20 5 GHBDHN Cc1nc2ccccc2n1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280248180 846348259 /nfs/dbraw/zinc/34/82/59/846348259.db2.gz OFDAYFDONIVCGW-OAQYLSRUSA-N 0 3 380.448 3.623 20 5 GHBDHN CN1C[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000119922043 846496134 /nfs/dbraw/zinc/49/61/34/846496134.db2.gz HHIKGSIQOBPRDT-AWEZNQCLSA-N 0 3 389.839 3.751 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(CN(C)C)cc2F)c1 ZINC000413935875 846559275 /nfs/dbraw/zinc/55/92/75/846559275.db2.gz FKGXJQMESFNUIN-UHFFFAOYSA-N 0 3 375.400 3.512 20 5 GHBDHN CC[C@@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501036950 846583153 /nfs/dbraw/zinc/58/31/53/846583153.db2.gz OLJZYKZBBVAEHY-QGZVFWFLSA-N 0 3 382.464 3.524 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000501134722 846676765 /nfs/dbraw/zinc/67/67/65/846676765.db2.gz NQIAHCKVSLLITB-MRXNPFEDSA-N 0 3 392.481 3.870 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000162950707 849738366 /nfs/dbraw/zinc/73/83/66/849738366.db2.gz UJMMMSANWQXCTB-CVEARBPZSA-N 0 3 397.475 3.972 20 5 GHBDHN COC(=O)c1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000425239288 849889583 /nfs/dbraw/zinc/88/95/83/849889583.db2.gz NRYZRGHEUSFHJI-HNNXBMFYSA-N 0 3 398.463 3.722 20 5 GHBDHN CCNC(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000486897959 850213791 /nfs/dbraw/zinc/21/37/91/850213791.db2.gz OJLPKBBMDWBKRV-UHFFFAOYSA-N 0 3 391.855 3.904 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000439673922 850259247 /nfs/dbraw/zinc/25/92/47/850259247.db2.gz OJXYKMMQJCKURA-OAUYIBNBSA-N 0 3 395.887 3.903 20 5 GHBDHN COc1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000543884515 850450057 /nfs/dbraw/zinc/45/00/57/850450057.db2.gz BXLOEWVKPZVCRR-IBGZPJMESA-N 0 3 398.463 3.870 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)CSc2ccccc2[N+](=O)[O-])c1 ZINC000487619708 850775452 /nfs/dbraw/zinc/77/54/52/850775452.db2.gz HPCGJTCNJLINMT-UHFFFAOYSA-N 0 3 387.505 3.586 20 5 GHBDHN C[S@@](=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000435749960 850815024 /nfs/dbraw/zinc/81/50/24/850815024.db2.gz MCSBITTZOHJZIL-RUZDIDTESA-N 0 3 382.869 3.899 20 5 GHBDHN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425006510 850857423 /nfs/dbraw/zinc/85/74/23/850857423.db2.gz MNGIQYQTRWOQDM-HNAYVOBHSA-N 0 3 385.851 3.595 20 5 GHBDHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000434510958 851191251 /nfs/dbraw/zinc/19/12/51/851191251.db2.gz OQSCNGCKXXYVTG-AWEZNQCLSA-N 0 3 394.928 3.967 20 5 GHBDHN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCC[C@@H]1C ZINC000436102074 851200003 /nfs/dbraw/zinc/20/00/03/851200003.db2.gz PUOFUNAMUJQIMW-JKSUJKDBSA-N 0 3 377.488 3.674 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2ccccc2F)C1 ZINC000550210890 851944352 /nfs/dbraw/zinc/94/43/52/851944352.db2.gz BHRXHNVKQNTSHT-CQSZACIVSA-N 0 3 385.395 3.521 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000515918567 851945041 /nfs/dbraw/zinc/94/50/41/851945041.db2.gz IPZWIFDFDBSMKU-VCHSTOLQSA-N 0 3 399.413 3.779 20 5 GHBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000516379494 852479970 /nfs/dbraw/zinc/47/99/70/852479970.db2.gz SLEANZMGVWWQGY-INIZCTEOSA-N 0 3 385.489 3.960 20 5 GHBDHN CN(CCCCCn1nnc(-c2ccccc2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000517876737 852561733 /nfs/dbraw/zinc/56/17/33/852561733.db2.gz YVMIPLVYZASLBX-UHFFFAOYSA-N 0 3 380.452 3.551 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@H]2COCCO2)ccc1Oc1ccccc1Cl ZINC000509570759 852956550 /nfs/dbraw/zinc/95/65/50/852956550.db2.gz JTDCKFYSYIOGKA-AWEZNQCLSA-N 0 3 378.812 3.546 20 5 GHBDHN COc1cc(CN(C)[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000509559026 852959404 /nfs/dbraw/zinc/95/94/04/852959404.db2.gz KHXCJSGRPWANTB-LJQANCHMSA-N 0 3 399.491 3.708 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000509566879 852972824 /nfs/dbraw/zinc/97/28/24/852972824.db2.gz HBFXOHOUEVYGPY-DOTOQJQBSA-N 0 3 388.468 3.501 20 5 GHBDHN CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000518424596 853331753 /nfs/dbraw/zinc/33/17/53/853331753.db2.gz FAWQLGFFVQTDST-GOSISDBHSA-N 0 3 380.448 3.647 20 5 GHBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000518475389 853391944 /nfs/dbraw/zinc/39/19/44/853391944.db2.gz SNSPUHDIBLOMGU-MSOLQXFVSA-N 0 3 397.258 3.871 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000588928658 854598543 /nfs/dbraw/zinc/59/85/43/854598543.db2.gz AGJIJXZAEXUAEE-ZDUSSCGKSA-N 0 3 386.782 3.715 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C[C@@H](C)O1 ZINC000301549120 855238538 /nfs/dbraw/zinc/23/85/38/855238538.db2.gz LWDANFVJFNOGDZ-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441068 855421478 /nfs/dbraw/zinc/42/14/78/855421478.db2.gz AGCUXWFAUKEDTM-RDJZCZTQSA-N 0 3 377.510 3.509 20 5 GHBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@H]2C1 ZINC000590447101 855424441 /nfs/dbraw/zinc/42/44/41/855424441.db2.gz YHZHURSNVARJPO-BEFAXECRSA-N 0 3 383.473 3.522 20 5 GHBDHN O=C1NCCC[C@@H]1CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000590971833 855681250 /nfs/dbraw/zinc/68/12/50/855681250.db2.gz ONVNVXCWTMQUSF-CQSZACIVSA-N 0 3 389.839 3.656 20 5 GHBDHN O=[N+]([O-])c1ccc(NCC2(N3CCCCC3)CCOCC2)c(Br)c1 ZINC000485012575 855993136 /nfs/dbraw/zinc/99/31/36/855993136.db2.gz GXPVVRMGMAVRJA-UHFFFAOYSA-N 0 3 398.301 3.804 20 5 GHBDHN CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000733210247 862795280 /nfs/dbraw/zinc/79/52/80/862795280.db2.gz MTXGEAXVHQAKLI-UHFFFAOYSA-N 0 3 384.505 3.888 20 5 GHBDHN C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1Cc1ccccc1 ZINC000173528043 856978501 /nfs/dbraw/zinc/97/85/01/856978501.db2.gz HSZOBDMIANAQOO-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173712947 857101817 /nfs/dbraw/zinc/10/18/17/857101817.db2.gz IBHGQXZIERPBRC-SFHVURJKSA-N 0 3 392.459 3.813 20 5 GHBDHN CCN1CCN(Cc2ccccc2CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000041621001 857236224 /nfs/dbraw/zinc/23/62/24/857236224.db2.gz VKFZCPBVVZYEFV-UHFFFAOYSA-N 0 3 396.491 3.547 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000508908458 858073151 /nfs/dbraw/zinc/07/31/51/858073151.db2.gz SOYTVPSGRBSTBA-IERDGZPVSA-N 0 3 396.491 3.960 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000114642216 858146488 /nfs/dbraw/zinc/14/64/88/858146488.db2.gz HMHSGMGCGOFKLS-INIZCTEOSA-N 0 3 385.489 3.711 20 5 GHBDHN C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000594489924 858189428 /nfs/dbraw/zinc/18/94/28/858189428.db2.gz HUPRYBACTCZTAK-HYFFOGBASA-N 0 3 395.503 3.981 20 5 GHBDHN C[C@H](O)CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000594614779 858242773 /nfs/dbraw/zinc/24/27/73/858242773.db2.gz KGJBCKYYUASHPB-NSHDSACASA-N 0 3 395.253 3.963 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC[C@H]([S@](C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000594962651 858347404 /nfs/dbraw/zinc/34/74/04/858347404.db2.gz SIMBEBXWRAVVRC-HFAJPBBRSA-N 0 3 392.477 3.643 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc(OC2CC2)c1F ZINC000595070579 858371698 /nfs/dbraw/zinc/37/16/98/858371698.db2.gz YEMZYDGQPYPCEL-CYBMUJFWSA-N 0 3 387.411 3.782 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CCc3ccccc3-n3ccnc32)n1 ZINC000596096593 858783015 /nfs/dbraw/zinc/78/30/15/858783015.db2.gz UWMDUIVRZYFKRZ-ZIFCJYIRSA-N 0 3 392.463 3.738 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593147428 858787142 /nfs/dbraw/zinc/78/71/42/858787142.db2.gz MOFNVGBUOUSJPY-NWDGAFQWSA-N 0 3 376.331 3.680 20 5 GHBDHN O=C(c1cc(NC[C@H]2CCN2Cc2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596557797 858934293 /nfs/dbraw/zinc/93/42/93/858934293.db2.gz LLDPUZSVUXIUCP-LJQANCHMSA-N 0 3 394.475 3.517 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC(O)(c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170329829 881367995 /nfs/dbraw/zinc/36/79/95/881367995.db2.gz VIXQHKCFQBHPAT-QGZVFWFLSA-N 0 3 384.476 3.826 20 5 GHBDHN CC[C@H]1CCCCN1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000499718490 859253442 /nfs/dbraw/zinc/25/34/42/859253442.db2.gz CFKMVUISCGICJA-SFHVURJKSA-N 0 3 391.515 3.535 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c(F)c1 ZINC000428572843 859406059 /nfs/dbraw/zinc/40/60/59/859406059.db2.gz NRPAYVOWTLMROA-UXHICEINSA-N 0 3 376.403 3.737 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559748 881438707 /nfs/dbraw/zinc/43/87/07/881438707.db2.gz HWRBGOZJKNBCFR-GOSISDBHSA-N 0 3 390.509 3.545 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000611337127 859711958 /nfs/dbraw/zinc/71/19/58/859711958.db2.gz UVWQSKXIIZVKCM-NVXWUHKLSA-N 0 3 391.537 3.989 20 5 GHBDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000611555160 859804303 /nfs/dbraw/zinc/80/43/03/859804303.db2.gz PNGWMSAPWUVZNO-NWDGAFQWSA-N 0 3 387.358 3.556 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CC[C@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC001170347597 881470896 /nfs/dbraw/zinc/47/08/96/881470896.db2.gz SCNVFSWZEGKHLG-QAPCUYQASA-N 0 3 386.448 3.696 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000466529871 859880698 /nfs/dbraw/zinc/88/06/98/859880698.db2.gz PEHXGBPJHSUTRX-VQIMIIECSA-N 0 3 396.491 3.792 20 5 GHBDHN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)c2C)o1 ZINC000161459013 859974182 /nfs/dbraw/zinc/97/41/82/859974182.db2.gz WEZZBLJNMDVFMX-UHFFFAOYSA-N 0 3 392.375 3.633 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@H]2CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351589 881493362 /nfs/dbraw/zinc/49/33/62/881493362.db2.gz GJDDFQCPGSRPDE-ZBFHGGJFSA-N 0 3 378.469 3.731 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3sccc3Br)CC2)cn1 ZINC000602544300 860090054 /nfs/dbraw/zinc/09/00/54/860090054.db2.gz OGLMIYXGAOGMBA-UHFFFAOYSA-N 0 3 397.298 3.572 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)nc2c1 ZINC000602526554 860098631 /nfs/dbraw/zinc/09/86/31/860098631.db2.gz XKZSDKXMYJNSTG-LBPRGKRZSA-N 0 3 388.374 3.630 20 5 GHBDHN CCCCNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000154708766 860236406 /nfs/dbraw/zinc/23/64/06/860236406.db2.gz RMBZBMJRLKAWPN-UHFFFAOYSA-N 0 3 385.464 3.983 20 5 GHBDHN C[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555229994 860264750 /nfs/dbraw/zinc/26/47/50/860264750.db2.gz SFHQETSTLSJWMH-FZKQIMNGSA-N 0 3 375.856 3.771 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(Cc1cccc2c1CCOC2)[C@H]1CC[C@H](O)CC1 ZINC000602852701 860315342 /nfs/dbraw/zinc/31/53/42/860315342.db2.gz GERTUKZAGYYDKL-MEMLXQNLSA-N 0 3 396.487 3.973 20 5 GHBDHN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000484745705 860317677 /nfs/dbraw/zinc/31/76/77/860317677.db2.gz YDUGJNZSFVIMSZ-IBGZPJMESA-N 0 3 392.477 3.506 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@H](N2CCCC2)C1 ZINC000301270778 860399870 /nfs/dbraw/zinc/39/98/70/860399870.db2.gz QTYOZTONAYAQGZ-LBPRGKRZSA-N 0 3 388.346 3.586 20 5 GHBDHN Cn1cc(CNCc2ccc(OC(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171048993 863328744 /nfs/dbraw/zinc/32/87/44/863328744.db2.gz SSTGYBIFKVYVJI-UHFFFAOYSA-N 0 3 388.374 3.887 20 5 GHBDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000439748021 863819091 /nfs/dbraw/zinc/81/90/91/863819091.db2.gz UWJQHEMNLSBNQH-MRXNPFEDSA-N 0 3 396.491 3.609 20 5 GHBDHN C[C@H](CC(=O)N1CCCCCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494448978 881739825 /nfs/dbraw/zinc/73/98/25/881739825.db2.gz ASSQDJCJFUQJDX-CYBMUJFWSA-N 0 3 387.402 3.884 20 5 GHBDHN C[C@H](C[S@@](C)=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000184265008 864296713 /nfs/dbraw/zinc/29/67/13/864296713.db2.gz CQEBGHFKNAFBBS-XELLLNAOSA-N 0 3 382.869 3.897 20 5 GHBDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475221720 864600128 /nfs/dbraw/zinc/60/01/28/864600128.db2.gz ZAPZKRIKVHFTIA-UHFFFAOYSA-N 0 3 376.379 3.665 20 5 GHBDHN COC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000494489327 881786440 /nfs/dbraw/zinc/78/64/40/881786440.db2.gz CUXPCUYZOBWANA-UGSOOPFHSA-N 0 3 391.855 3.943 20 5 GHBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792932589 881822428 /nfs/dbraw/zinc/82/24/28/881822428.db2.gz FGGFVIBGOYPIIG-CXAGYDPISA-N 0 3 376.840 3.758 20 5 GHBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(F)c(Cl)c1 ZINC000763822615 866014890 /nfs/dbraw/zinc/01/48/90/866014890.db2.gz DXXDQUDZUGDQHU-UHFFFAOYSA-N 0 3 383.782 3.987 20 5 GHBDHN C[C@H](C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185493385 866146717 /nfs/dbraw/zinc/14/67/17/866146717.db2.gz CASQXXWEOCVQKJ-HLLBOEOZSA-N 0 3 385.439 3.617 20 5 GHBDHN Cc1ccccc1[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000183200692 866328534 /nfs/dbraw/zinc/32/85/34/866328534.db2.gz MONYROJWDXUBFP-HXUWFJFHSA-N 0 3 385.420 3.557 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534245152 866360015 /nfs/dbraw/zinc/36/00/15/866360015.db2.gz HRJDGLATQGRTLH-MRXNPFEDSA-N 0 3 384.461 3.705 20 5 GHBDHN CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000456297073 866361611 /nfs/dbraw/zinc/36/16/11/866361611.db2.gz BVVWAHZPFCUBIY-KRWDZBQOSA-N 0 3 397.475 3.588 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccsc1 ZINC000534249610 866375640 /nfs/dbraw/zinc/37/56/40/866375640.db2.gz QFCXJZPVOSEZAZ-QGZVFWFLSA-N 0 3 386.477 3.951 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000478683890 866492931 /nfs/dbraw/zinc/49/29/31/866492931.db2.gz HZEMBPIXLAXDRG-QGZVFWFLSA-N 0 3 391.493 3.786 20 5 GHBDHN COc1cccc(C[C@H]2CCCN2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000534343996 866588603 /nfs/dbraw/zinc/58/86/03/866588603.db2.gz FJAVKTTUAYLCGX-QGZVFWFLSA-N 0 3 386.448 3.828 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H]1c1cccs1 ZINC000741606862 866654855 /nfs/dbraw/zinc/65/48/55/866654855.db2.gz RSPXLQKUNDFNRG-SJKOYZFVSA-N 0 3 377.441 3.608 20 5 GHBDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000183680559 867199461 /nfs/dbraw/zinc/19/94/61/867199461.db2.gz VMEZCGSGYQGMND-HNNXBMFYSA-N 0 3 393.447 3.687 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440909633 869218848 /nfs/dbraw/zinc/21/88/48/869218848.db2.gz AXCOWNHYCRJWNZ-RHSMWYFYSA-N 0 3 380.448 3.693 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440909635 869219248 /nfs/dbraw/zinc/21/92/48/869219248.db2.gz AXCOWNHYCRJWNZ-WMLDXEAASA-N 0 3 380.448 3.693 20 5 GHBDHN C[C@@]1(O)CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539818558 869845428 /nfs/dbraw/zinc/84/54/28/869845428.db2.gz WXBFTWBAOAEXEJ-JOCHJYFZSA-N 0 3 392.459 3.794 20 5 GHBDHN Cc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1OC(F)F ZINC000539835915 869877102 /nfs/dbraw/zinc/87/71/02/869877102.db2.gz NOZYIOGPPBRYJE-OAHLLOKOSA-N 0 3 392.406 3.894 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCS[C@H]4COCC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000539909998 870009359 /nfs/dbraw/zinc/00/93/59/870009359.db2.gz MHOJBMYKIDMDDE-LPHOPBHVSA-N 0 3 390.461 3.570 20 5 GHBDHN C[C@@H]1CN(C)c2ccccc2CN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538717346 870406187 /nfs/dbraw/zinc/40/61/87/870406187.db2.gz VMZYLBPUJBXOMU-MRXNPFEDSA-N 0 3 391.475 3.836 20 5 GHBDHN COc1ccc(Cl)cc1[C@H](CC(C)C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000540414913 871218856 /nfs/dbraw/zinc/21/88/56/871218856.db2.gz VVNVZVWLTGBXHP-KRWDZBQOSA-N 0 3 393.871 3.796 20 5 GHBDHN CC(C)C[C@]1(CO)CCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001194021145 871438375 /nfs/dbraw/zinc/43/83/75/871438375.db2.gz YGQDUWNLRUQKNF-SFHVURJKSA-N 0 3 394.859 3.671 20 5 GHBDHN CCC[C@@]1(COC)CCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000447390235 871521191 /nfs/dbraw/zinc/52/11/91/871521191.db2.gz FLITUXFICABNHH-SFHVURJKSA-N 0 3 388.411 3.986 20 5 GHBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(CC)CC ZINC001169569864 871645039 /nfs/dbraw/zinc/64/50/39/871645039.db2.gz VIHWGDSJEPWSSY-CVEARBPZSA-N 0 3 383.876 3.760 20 5 GHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000540592060 871648623 /nfs/dbraw/zinc/64/86/23/871648623.db2.gz NODLCCWIZMBBCB-VLIAUNLRSA-N 0 3 383.448 3.980 20 5 GHBDHN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447520125 871743538 /nfs/dbraw/zinc/74/35/38/871743538.db2.gz IZQADIYNDKDRHF-DHIUTWEWSA-N 0 3 395.503 3.944 20 5 GHBDHN CCOc1cccc(NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c1[N+](=O)[O-] ZINC000443438295 872707855 /nfs/dbraw/zinc/70/78/55/872707855.db2.gz DYDUGHPVIWGOBX-INIZCTEOSA-N 0 3 389.452 3.726 20 5 GHBDHN C[C@@H](c1cccc(F)c1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460352994 872938601 /nfs/dbraw/zinc/93/86/01/872938601.db2.gz OYRGRDSWKDENDF-AWEZNQCLSA-N 0 3 383.427 3.884 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448253747 873098807 /nfs/dbraw/zinc/09/88/07/873098807.db2.gz BVTHHRHDMJFNCN-GOSISDBHSA-N 0 3 376.501 3.635 20 5 GHBDHN Cc1c(Br)c(NC[C@@H](c2ccc(F)cc2)N(C)C)ncc1[N+](=O)[O-] ZINC000541578655 873899564 /nfs/dbraw/zinc/89/95/64/873899564.db2.gz NBQJPBUSHPOKQV-AWEZNQCLSA-N 0 3 397.248 3.915 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541780371 874252365 /nfs/dbraw/zinc/25/23/65/874252365.db2.gz LPDMKZMHXPKIHJ-OAHLLOKOSA-N 0 3 378.429 3.754 20 5 GHBDHN CCc1ccc2c(c1)CN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001198850648 874655310 /nfs/dbraw/zinc/65/53/10/874655310.db2.gz ADTNMEQKLCQCNW-UHFFFAOYSA-N 0 3 383.448 3.553 20 5 GHBDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000770385705 874670683 /nfs/dbraw/zinc/67/06/83/874670683.db2.gz KGDQQADHOBUDAZ-FEPMCFLQSA-N 0 3 375.469 3.843 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000449543891 875007244 /nfs/dbraw/zinc/00/72/44/875007244.db2.gz UYWSHUNVTOUPMX-WMLDXEAASA-N 0 3 379.363 3.601 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)C3CCC3)o2)c(Br)c1 ZINC000449738309 875324082 /nfs/dbraw/zinc/32/40/82/875324082.db2.gz AXSQAHORRJGSAN-MRXNPFEDSA-N 0 3 395.253 3.868 20 5 GHBDHN CCN(CC)[C@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])c1ccsc1 ZINC000053561019 875959575 /nfs/dbraw/zinc/95/95/75/875959575.db2.gz AQRHJQMKIMAABH-QGZVFWFLSA-N 0 3 376.482 3.511 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000123101575 883063797 /nfs/dbraw/zinc/06/37/97/883063797.db2.gz UDRNIPHDXUNQHR-INIZCTEOSA-N 0 3 398.463 3.732 20 5 GHBDHN CC([C@H](OC(=O)CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000851109270 877416343 /nfs/dbraw/zinc/41/63/43/877416343.db2.gz WNAYMPOQCVGRJF-LRDDRELGSA-N 0 3 396.415 3.523 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000477536337 877790018 /nfs/dbraw/zinc/79/00/18/877790018.db2.gz LAVAFUGSSDCJMC-INIZCTEOSA-N 0 3 396.365 3.632 20 5 GHBDHN C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000761528019 879234035 /nfs/dbraw/zinc/23/40/35/879234035.db2.gz XGJQCYAWIWWCET-QRWLVFNGSA-N 0 3 389.883 3.627 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000531212836 879339294 /nfs/dbraw/zinc/33/92/94/879339294.db2.gz RDCREAVTFWJSOD-CFEDGUPZSA-N 0 3 383.448 3.773 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520109819 879676572 /nfs/dbraw/zinc/67/65/72/879676572.db2.gz NEBQAVFBIDSGHW-UHFFFAOYSA-N 0 3 385.395 3.684 20 5 GHBDHN CSc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494039137 879874904 /nfs/dbraw/zinc/87/49/04/879874904.db2.gz RNSKGLGIUYWJLA-RHSMWYFYSA-N 0 3 385.489 3.710 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H]3COc4ccccc4O3)o2)c([N+](=O)[O-])c1 ZINC000520209925 880220289 /nfs/dbraw/zinc/22/02/89/880220289.db2.gz RPRWNPYBTOGLMD-INIZCTEOSA-N 0 3 396.399 3.793 20 5 GHBDHN Cc1cc(Br)ccc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000237562318 880304060 /nfs/dbraw/zinc/30/40/60/880304060.db2.gz MOFDAJVJJZUACD-UHFFFAOYSA-N 0 3 392.253 3.784 20 5 GHBDHN COc1cccc(CN(CCN(C)C)C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000791336747 880339239 /nfs/dbraw/zinc/33/92/39/880339239.db2.gz RWIZJOKWMXKHJO-VKAVYKQESA-N 0 3 397.475 3.597 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000499126818 881199834 /nfs/dbraw/zinc/19/98/34/881199834.db2.gz XWEZNXAELFWOOX-YRNRMSPPSA-N 0 3 384.480 3.955 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000152987718 881286431 /nfs/dbraw/zinc/28/64/31/881286431.db2.gz WXWRJCRICPTKKR-ZIAGYGMSSA-N 0 3 377.510 3.698 20 5 GHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000520537028 883763436 /nfs/dbraw/zinc/76/34/36/883763436.db2.gz KUMNZZJXCTXQEE-FQEVSTJZSA-N 0 3 378.432 3.643 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000026227438 884193328 /nfs/dbraw/zinc/19/33/28/884193328.db2.gz CPEQDRQUDJPVKH-LBPRGKRZSA-N 0 3 377.828 3.936 20 5 GHBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1-c1cnccn1 ZINC000860854968 885054028 /nfs/dbraw/zinc/05/40/28/885054028.db2.gz NUELUIWLKIQMBV-AUUYWEPGSA-N 0 3 398.394 3.587 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1-c1cnccn1 ZINC000860854971 885055108 /nfs/dbraw/zinc/05/51/08/885055108.db2.gz NUELUIWLKIQMBV-LIRRHRJNSA-N 0 3 398.394 3.587 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000556882929 886447399 /nfs/dbraw/zinc/44/73/99/886447399.db2.gz DNOZZGLETDKMEW-GOSISDBHSA-N 0 3 384.432 3.526 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000794666340 887711078 /nfs/dbraw/zinc/71/10/78/887711078.db2.gz CFKZOAJRZUFGFU-VSKRKVRLSA-N 0 3 378.428 3.693 20 5 GHBDHN CN(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)Cc1ccccc1 ZINC000809913095 887936031 /nfs/dbraw/zinc/93/60/31/887936031.db2.gz VGVKECSVCJFKAZ-CQSZACIVSA-N 0 3 376.844 3.543 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000454330941 888868137 /nfs/dbraw/zinc/86/81/37/888868137.db2.gz XKCRKWPORDKBJK-HNNXBMFYSA-N 0 3 386.427 3.720 20 5 GHBDHN CCN1CCN(c2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000916547962 889104233 /nfs/dbraw/zinc/10/42/33/889104233.db2.gz QZWPXDDVKAAGSX-UHFFFAOYSA-N 0 3 385.493 3.546 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454969188 890078396 /nfs/dbraw/zinc/07/83/96/890078396.db2.gz YVYLWAYHOVPWOB-FTRWYGJKSA-N 0 3 382.464 3.618 20 5 GHBDHN COC(=O)/C=C/c1ccc(NC[C@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000917090521 891089078 /nfs/dbraw/zinc/08/90/78/891089078.db2.gz WEXBKZANKAUSTR-PHRJPNOBSA-N 0 3 387.411 3.635 20 5 GHBDHN C[C@@H](NCC1CCN(C(=O)c2ccccc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037565 891129006 /nfs/dbraw/zinc/12/90/06/891129006.db2.gz GEDJOKQLBMPMQF-OAHLLOKOSA-N 0 3 385.439 3.937 20 5 GHBDHN COc1cc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000237392044 891614395 /nfs/dbraw/zinc/61/43/95/891614395.db2.gz GWGKMJPXBFFBCO-HXUWFJFHSA-N 0 3 386.448 3.883 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000615035412 891826746 /nfs/dbraw/zinc/82/67/46/891826746.db2.gz JMMSXYCQIOPKBC-UHFFFAOYSA-N 0 3 382.464 3.951 20 5 GHBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000288284262 913717124 /nfs/dbraw/zinc/71/71/24/913717124.db2.gz HKNCKKUMHNLSJX-JKSUJKDBSA-N 0 3 375.472 3.792 20 5 GHBDHN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000774841054 913725932 /nfs/dbraw/zinc/72/59/32/913725932.db2.gz RINUZXWVPPCQAI-LJQANCHMSA-N 0 3 384.436 3.599 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459662737 894016391 /nfs/dbraw/zinc/01/63/91/894016391.db2.gz NRYIJDGJXYAYAR-MRXNPFEDSA-N 0 3 388.386 3.655 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000537242765 894640706 /nfs/dbraw/zinc/64/07/06/894640706.db2.gz UPKAIQVGQCLEKC-IBGZPJMESA-N 0 3 397.475 3.869 20 5 GHBDHN O=[N+]([O-])c1cccc(F)c1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001185802184 914094005 /nfs/dbraw/zinc/09/40/05/914094005.db2.gz WOYBCXWKGLOXHC-UHFFFAOYSA-N 0 3 377.391 3.828 20 5 GHBDHN Cc1c([C@@H](C)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nnn1-c1ccccc1 ZINC000567021168 896805114 /nfs/dbraw/zinc/80/51/14/896805114.db2.gz NEDSAMVBJOCBNJ-CQSZACIVSA-N 0 3 390.447 3.859 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000568377260 897794168 /nfs/dbraw/zinc/79/41/68/897794168.db2.gz IPFBJIYASWKARO-NRFANRHFSA-N 0 3 398.507 3.644 20 5 GHBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001136536207 898210938 /nfs/dbraw/zinc/21/09/38/898210938.db2.gz TTXSLPSZOHMAJP-LJQANCHMSA-N 0 3 396.491 3.694 20 5 GHBDHN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000043342972 898477458 /nfs/dbraw/zinc/47/74/58/898477458.db2.gz SDGAZPWYDMBYJI-OAHLLOKOSA-N 0 3 376.844 3.543 20 5 GHBDHN Cc1cc([C@@H](N)CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc(Cl)n1 ZINC000844204033 900595752 /nfs/dbraw/zinc/59/57/52/900595752.db2.gz LFHHHMIXXYLFCE-KRWDZBQOSA-N 0 3 388.855 3.533 20 5 GHBDHN C[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573773270 900631941 /nfs/dbraw/zinc/63/19/41/900631941.db2.gz XTWDLFDXFAHCDJ-LJQANCHMSA-N 0 3 395.503 3.865 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000574348024 900854031 /nfs/dbraw/zinc/85/40/31/900854031.db2.gz PLPBKNVWBUTXSF-DAYGRLMNSA-N 0 3 391.537 3.898 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872507 902473627 /nfs/dbraw/zinc/47/36/27/902473627.db2.gz IQQYPMSBFIYEAP-BFUOFWGJSA-N 0 3 386.379 3.516 20 5 GHBDHN Cc1oc(-c2ccco2)nc1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873723 902474954 /nfs/dbraw/zinc/47/49/54/902474954.db2.gz FPDHMOMXAVOXEZ-ZMZPIMSZSA-N 0 3 388.351 3.874 20 5 GHBDHN COc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC(F)F ZINC000845874418 902476699 /nfs/dbraw/zinc/47/66/99/902476699.db2.gz IEUGUROOMKFHPY-QLJPJBMISA-N 0 3 399.321 3.999 20 5 GHBDHN CC([C@H](OC(=O)c1cnn(CCC(F)(F)F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872977 902476783 /nfs/dbraw/zinc/47/67/83/902476783.db2.gz AZSLQLWUHYAQFR-HZMBPMFUSA-N 0 3 389.305 3.538 20 5 GHBDHN CC([C@H](OC(=O)CCC(=O)c1ccc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875979 902479648 /nfs/dbraw/zinc/47/96/48/902479648.db2.gz MJBWLAJBOJYCRM-VOJFVSQTSA-N 0 3 394.786 3.787 20 5 GHBDHN CC([C@H](OC(=O)C[C@@H](C)NC(=O)C1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845880168 902484122 /nfs/dbraw/zinc/48/41/22/902484122.db2.gz YXNNPZLFYPPXKP-TYILLQQXSA-N 0 3 394.443 3.550 20 5 GHBDHN CCOCc1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845881502 902485098 /nfs/dbraw/zinc/48/50/98/902485098.db2.gz LKYCPRMOCYCREP-NHYWBVRUSA-N 0 3 382.413 3.690 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882030 902486559 /nfs/dbraw/zinc/48/65/59/902486559.db2.gz QHIJREWUWGJAMA-VWPFQQQWSA-N 0 3 395.427 3.833 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845884049 902489502 /nfs/dbraw/zinc/48/95/02/902489502.db2.gz WXSYYFFXMQQHMI-BCUIYNNISA-N 0 3 398.431 3.625 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000775037545 914666959 /nfs/dbraw/zinc/66/69/59/914666959.db2.gz AFIRLCSLEDLTEE-GDBMZVCRSA-N 0 3 393.484 3.871 20 5 GHBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000141793361 903956533 /nfs/dbraw/zinc/95/65/33/903956533.db2.gz BFUWOCSJXXSUQW-CQSZACIVSA-N 0 3 394.903 3.526 20 5 GHBDHN CCC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151903311 904211610 /nfs/dbraw/zinc/21/16/10/904211610.db2.gz OEHCDFAOLJUWRK-AUUYWEPGSA-N 0 3 391.493 3.695 20 5 GHBDHN C[C@@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000509518122 904467590 /nfs/dbraw/zinc/46/75/90/904467590.db2.gz WISNVEJBIKEJBS-TZMCWYRMSA-N 0 3 389.839 3.559 20 5 GHBDHN CCOC(=O)[C@]1(C)CCCCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180191 906258760 /nfs/dbraw/zinc/25/87/60/906258760.db2.gz JFWOCNUTBBHCFF-JLTOFOAXSA-N 0 3 396.459 3.729 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](c2cccnc2F)C2CC2)c1F ZINC001173181433 906261907 /nfs/dbraw/zinc/26/19/07/906261907.db2.gz VWZMNBPGVVLLBQ-ZMZPIMSZSA-N 0 3 377.391 3.949 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cc(OC3CCC3)ccn2)c1F ZINC001173183308 906264911 /nfs/dbraw/zinc/26/49/11/906264911.db2.gz XQHXVCGVRRHMFX-CYBMUJFWSA-N 0 3 389.427 3.790 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cccc(C(F)(F)F)n2)c1F ZINC001173187354 906267746 /nfs/dbraw/zinc/26/77/46/906267746.db2.gz ZWAXPIRVYYCOED-SNVBAGLBSA-N 0 3 387.333 3.877 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(n2c3ccccc3oc2=O)CC1 ZINC001173228475 906312838 /nfs/dbraw/zinc/31/28/38/906312838.db2.gz XLIMTDNHYMYVCQ-HNNXBMFYSA-N 0 3 381.432 3.771 20 5 GHBDHN O=c1ccccn1Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192757334 907881128 /nfs/dbraw/zinc/88/11/28/907881128.db2.gz BSADXOUXFLUZEE-QFIPXVFZSA-N 0 3 389.455 3.972 20 5 GHBDHN COc1ccc2c(c1)OC[C@H](NCc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC001178412539 909049796 /nfs/dbraw/zinc/04/97/96/909049796.db2.gz XJJHDVWRPOYPCK-MRXNPFEDSA-N 0 3 380.400 3.957 20 5 GHBDHN COc1cc(C[NH2+]CCc2c(OC)ccc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC001179562828 909578539 /nfs/dbraw/zinc/57/85/39/909578539.db2.gz SZUZCHXSDXESEW-UHFFFAOYSA-N 0 3 382.416 3.803 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1OC ZINC000775064821 914906875 /nfs/dbraw/zinc/90/68/75/914906875.db2.gz MHAGGKNZEPJGLH-MRXNPFEDSA-N 0 3 387.436 3.682 20 5 GHBDHN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000294045272 916548111 /nfs/dbraw/zinc/54/81/11/916548111.db2.gz GIMCCMRBBHETDE-KBPBESRZSA-N 0 3 383.452 3.509 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000796429223 917087640 /nfs/dbraw/zinc/08/76/40/917087640.db2.gz GFAFEQJPBQQBEG-IRXDYDNUSA-N 0 3 385.247 3.648 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC001190510830 917374258 /nfs/dbraw/zinc/37/42/58/917374258.db2.gz RPAPTFOLFUOMQH-GOSISDBHSA-N 0 3 397.475 3.811 20 5 GHBDHN CO[C@](C)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)COCc1ccccc1 ZINC000826937428 924389082 /nfs/dbraw/zinc/38/90/82/924389082.db2.gz MZXFIUNXHXGUDQ-LJQANCHMSA-N 0 3 378.856 3.960 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000411304704 926287030 /nfs/dbraw/zinc/28/70/30/926287030.db2.gz WRHPJFBFYJSULA-YOEHRIQHSA-N 0 3 387.436 3.998 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000411457946 926423077 /nfs/dbraw/zinc/42/30/77/926423077.db2.gz OGNOTWGCAUUMPO-LBPRGKRZSA-N 0 3 377.828 3.936 20 5 GHBDHN COc1ccc(NC(=O)CCNC(C)(C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000411758864 926742969 /nfs/dbraw/zinc/74/29/69/926742969.db2.gz OLODQTARHIEKFI-UHFFFAOYSA-N 0 3 375.400 3.596 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000752347910 928780828 /nfs/dbraw/zinc/78/08/28/928780828.db2.gz OYHLUOUTUNLFST-IBGZPJMESA-N 0 3 382.416 3.802 20 5 GHBDHN CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000752617980 928930120 /nfs/dbraw/zinc/93/01/20/928930120.db2.gz MHEMYKHBBJJVFO-UHFFFAOYSA-N 0 3 390.871 3.886 20 5 GHBDHN C[C@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544444817 929193068 /nfs/dbraw/zinc/19/30/68/929193068.db2.gz XHCPQTYRVLMJGB-PCKAHOCUSA-N 0 3 377.460 3.560 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467719685 929336596 /nfs/dbraw/zinc/33/65/96/929336596.db2.gz DSJYOROQZFTJPW-LIRRHRJNSA-N 0 3 380.448 3.551 20 5 GHBDHN CN(CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000546183033 929934135 /nfs/dbraw/zinc/93/41/35/929934135.db2.gz ZAHMFIKSQPQCEC-UHFFFAOYSA-N 0 3 377.448 3.523 20 5 GHBDHN Cc1ccc(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1[N+](=O)[O-] ZINC000546284983 930020336 /nfs/dbraw/zinc/02/03/36/930020336.db2.gz QKLLXZZDZDZAOE-KRWDZBQOSA-N 0 3 379.420 3.728 20 5 GHBDHN Cc1ccc(-c2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1[N+](=O)[O-] ZINC000546284985 930020572 /nfs/dbraw/zinc/02/05/72/930020572.db2.gz QKLLXZZDZDZAOE-QGZVFWFLSA-N 0 3 379.420 3.728 20 5 GHBDHN CCN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546893578 930516172 /nfs/dbraw/zinc/51/61/72/930516172.db2.gz WTEFCHWINKZQMH-VQIMIIECSA-N 0 3 399.466 3.960 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1OC ZINC000782532591 931260439 /nfs/dbraw/zinc/26/04/39/931260439.db2.gz XKZZDWPGFDXICZ-INIZCTEOSA-N 0 3 375.400 3.812 20 5 GHBDHN CN(C)c1ccc(COC(=O)C2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000784503859 931915576 /nfs/dbraw/zinc/91/55/76/931915576.db2.gz FTIDJSIXPYUPIU-UHFFFAOYSA-N 0 3 397.475 3.616 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000558734528 932200543 /nfs/dbraw/zinc/20/05/43/932200543.db2.gz JSDXSTIJKRJRRE-NRFANRHFSA-N 0 3 380.444 3.662 20 5 GHBDHN CN1CCN(c2ccc(N[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000777609933 932337246 /nfs/dbraw/zinc/33/72/46/932337246.db2.gz HLYZLJUFSGSQDZ-NRFANRHFSA-N 0 3 380.492 3.780 20 5 GHBDHN CC(C)N1CCN(c2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC001117177596 933871522 /nfs/dbraw/zinc/87/15/22/933871522.db2.gz AQVIUGHIDVOEAO-UHFFFAOYSA-N 0 3 393.447 3.842 20 5 GHBDHN CO[C@@H](CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC001118630186 934212498 /nfs/dbraw/zinc/21/24/98/934212498.db2.gz YTDBTORACKZNHS-XIKOKIGWSA-N 0 3 380.828 3.649 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000561650689 934338220 /nfs/dbraw/zinc/33/82/20/934338220.db2.gz BURPHEXSALOEGM-FQEVSTJZSA-N 0 3 385.464 3.723 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000561652576 934338491 /nfs/dbraw/zinc/33/84/91/934338491.db2.gz QWNFZFWBWFRMSR-OAQYLSRUSA-N 0 3 399.491 3.734 20 5 GHBDHN CC(C)Oc1cc(C(=O)N(CCc2ccccc2)CCN(C)C)ccc1[N+](=O)[O-] ZINC001125056083 935517418 /nfs/dbraw/zinc/51/74/18/935517418.db2.gz GEQQJAFPJAPBEF-UHFFFAOYSA-N 0 3 399.491 3.629 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CC[C@H](O)c1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000828817008 935719636 /nfs/dbraw/zinc/71/96/36/935719636.db2.gz JIYRSTBAOQGRSI-ONTIZHBOSA-N 0 3 384.476 3.824 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c2ncccc12 ZINC001228138449 1032805573 /nfs/dbraw/zinc/80/55/73/1032805573.db2.gz LAKVTTMGFJUNKL-SFHVURJKSA-N 0 3 393.443 3.813 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(-n2cncc2CNCc2ccccc2)nn1 ZINC001156508360 1033073769 /nfs/dbraw/zinc/07/37/69/1033073769.db2.gz AMWRBJUGUBWNIO-UHFFFAOYSA-N 0 3 386.415 3.527 20 5 GHBDHN O=c1oc2ccccc2c(O[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228803282 1033104994 /nfs/dbraw/zinc/10/49/94/1033104994.db2.gz YFXZCJAEGAJUAS-MRXNPFEDSA-N 0 3 380.400 3.745 20 5 GHBDHN CN(Cc1ccc(Br)c(F)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755192407 1023118372 /nfs/dbraw/zinc/11/83/72/1023118372.db2.gz BMZHLQHSJRJYJK-INIZCTEOSA-N 0 3 383.217 3.662 20 5 GHBDHN COCCN(C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163385193 1026170563 /nfs/dbraw/zinc/17/05/63/1026170563.db2.gz INWWIRGDGPTZQD-INIZCTEOSA-N 0 3 382.823 3.514 20 5 GHBDHN COc1ccc(Br)cc1CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001163744389 1026300537 /nfs/dbraw/zinc/30/05/37/1026300537.db2.gz KYRJMCJSMROHCE-UHFFFAOYSA-N 0 3 392.253 3.624 20 5 GHBDHN O=C1NC(=O)C2(CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)N1 ZINC001204003554 1027801574 /nfs/dbraw/zinc/80/15/74/1027801574.db2.gz GNFVJZLLEIFYQY-UHFFFAOYSA-N 0 3 383.451 3.758 20 5 GHBDHN CCOC(=O)c1cc(Nc2cccc3c2OCC[C@H]3N(C)C)cc([N+](=O)[O-])c1 ZINC001211375374 1027927950 /nfs/dbraw/zinc/92/79/50/1027927950.db2.gz DMNOJJIDNVQWRV-GOSISDBHSA-N 0 3 385.420 3.900 20 5 GHBDHN CC(C)C1CCC(N2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001222260306 1030036242 /nfs/dbraw/zinc/03/62/42/1030036242.db2.gz KKAUMQFSSYYJKE-UHFFFAOYSA-N 0 3 388.512 3.637 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CNCCC3(F)F)cc(C(F)(F)F)c2c1 ZINC001218451125 1030940913 /nfs/dbraw/zinc/94/09/13/1030940913.db2.gz CVHKQYBLOLDIKT-GFCCVEGCSA-N 0 3 377.269 3.538 20 5 GHBDHN COC(=O)c1cc(OC2CCN(Cc3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC001229940758 1033804682 /nfs/dbraw/zinc/80/46/82/1033804682.db2.gz GMCUQLIDKSRSMT-UHFFFAOYSA-N 0 3 388.395 3.564 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC001207129629 1034114661 /nfs/dbraw/zinc/11/46/61/1034114661.db2.gz AEJLXMHNWHSFNE-IBGZPJMESA-N 0 3 398.463 3.952 20 5 GHBDHN CCOC(=O)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001230911792 1034284411 /nfs/dbraw/zinc/28/44/11/1034284411.db2.gz AHVWXIDZXSMWSD-UHFFFAOYSA-N 0 3 384.432 3.815 20 5 GHBDHN O=[N+]([O-])c1c[nH]c2ccc(NCC3CCN(Cc4ccccc4F)CC3)nc12 ZINC001161193899 1035175728 /nfs/dbraw/zinc/17/57/28/1035175728.db2.gz IWEAHMKPUQSPPR-UHFFFAOYSA-N 0 3 383.427 3.934 20 5 GHBDHN Cc1cc(F)ccc1N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254480918 1040268391 /nfs/dbraw/zinc/26/83/91/1040268391.db2.gz PWHXFEOCZASDQM-UHFFFAOYSA-N 0 3 398.482 3.833 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001254558245 1040327992 /nfs/dbraw/zinc/32/79/92/1040327992.db2.gz UBWSEGCAZJUWBC-LKUPVBHCSA-N 0 3 399.466 3.502 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001254560776 1040333577 /nfs/dbraw/zinc/33/35/77/1040333577.db2.gz YDPFTQJNKMNLFR-HOTGVXAUSA-N 0 3 377.485 3.763 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001254562940 1040335968 /nfs/dbraw/zinc/33/59/68/1040335968.db2.gz SBFVDSSNJWSMAO-SFGWALBWSA-N 0 3 397.475 3.623 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001254567986 1040344087 /nfs/dbraw/zinc/34/40/87/1040344087.db2.gz DVVGZFSQROSVTP-HNNXBMFYSA-N 0 3 385.439 3.559 20 5 GHBDHN CCOC(=O)c1coc(C2CCN([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001254571360 1040347362 /nfs/dbraw/zinc/34/73/62/1040347362.db2.gz SYIFJGWAWOECNY-CQSZACIVSA-N 0 3 387.436 3.570 20 5 GHBDHN COc1ccc(OC(F)(F)F)cc1CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576809 1040353055 /nfs/dbraw/zinc/35/30/55/1040353055.db2.gz ZUXDZFQUOFMXAQ-AWEZNQCLSA-N 0 3 382.338 3.759 20 5 GHBDHN O=C(OCc1ccccc1)[C@@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610614 1040382822 /nfs/dbraw/zinc/38/28/22/1040382822.db2.gz LTPNYLWWNDBAOZ-WIYYLYMNSA-N 0 3 380.444 3.517 20 5 GHBDHN COc1cc(N2CCC(NCc3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] ZINC001256081744 1041512447 /nfs/dbraw/zinc/51/24/47/1041512447.db2.gz DDRYISFVFVAUOU-UHFFFAOYSA-N 0 3 377.391 3.640 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1CCCN1CC(F)(F)F ZINC001462565049 1070371005 /nfs/dbraw/zinc/37/10/05/1070371005.db2.gz KOYUNTRQERFWEG-GFCCVEGCSA-N 0 3 385.308 3.730 20 5 GHBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC001301379027 1046515511 /nfs/dbraw/zinc/51/55/11/1046515511.db2.gz MYGNTXKQUBCHEK-HNNXBMFYSA-N 0 3 385.489 3.960 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001301866778 1046735182 /nfs/dbraw/zinc/73/51/82/1046735182.db2.gz DCYCNZOLEYHEIH-GWHIEVBUSA-N 0 3 379.460 3.635 20 5 GHBDHN CCN(CC)[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001306947909 1048974391 /nfs/dbraw/zinc/97/43/91/1048974391.db2.gz STDYBTIWYDECHI-INIZCTEOSA-N 0 3 399.407 3.561 20 5 GHBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001307502607 1049342993 /nfs/dbraw/zinc/34/29/93/1049342993.db2.gz ZFEODZWMQWKOQV-ROUUACIJSA-N 0 3 396.491 3.518 20 5 GHBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001307502608 1049343513 /nfs/dbraw/zinc/34/35/13/1049343513.db2.gz ZFEODZWMQWKOQV-ZWKOTPCHSA-N 0 3 396.491 3.518 20 5 GHBDHN CC[C@@](C)(COc1ncccc1Cl)NCc1ccc([N+](=O)[O-])cc1OC ZINC001307591502 1049430547 /nfs/dbraw/zinc/43/05/47/1049430547.db2.gz DGSAIWQSJJASMZ-SFHVURJKSA-N 0 3 379.844 3.989 20 5 GHBDHN COc1cc(CNC[C@@H](OC)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308285915 1049937479 /nfs/dbraw/zinc/93/74/79/1049937479.db2.gz RLVQIAKKULZIAP-OAHLLOKOSA-N 0 3 394.390 3.695 20 5 GHBDHN CO[C@@](C)(CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C1CC1 ZINC001308619065 1050035676 /nfs/dbraw/zinc/03/56/76/1050035676.db2.gz NPCIRNVQGCDCIW-KRWDZBQOSA-N 0 3 387.402 3.551 20 5 GHBDHN Cc1ccc(CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001308903688 1050152242 /nfs/dbraw/zinc/15/22/42/1050152242.db2.gz JLPIMCBHBNZXEQ-CQSZACIVSA-N 0 3 385.411 3.638 20 5 GHBDHN CC([C@@H](OC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1F)[N+](=O)[O-] ZINC001345037582 1054865346 /nfs/dbraw/zinc/86/53/46/1054865346.db2.gz SKVJIZCFCMKZCB-BFUOFWGJSA-N 0 3 399.378 3.758 20 5 GHBDHN Cc1nc2n(n1)C[C@@H](NCc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CC2 ZINC001322610851 1056768684 /nfs/dbraw/zinc/76/86/84/1056768684.db2.gz LEXIHWMECKTKPW-ZDUSSCGKSA-N 0 3 387.827 3.513 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(F)c1 ZINC001451381840 1060768797 /nfs/dbraw/zinc/76/87/97/1060768797.db2.gz KDBXEEGFYWEZMD-UHFFFAOYSA-N 0 3 396.216 3.810 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC001460030452 1064359166 /nfs/dbraw/zinc/35/91/66/1064359166.db2.gz MKKWBVTZNACCOD-MRXNPFEDSA-N 0 3 381.448 3.907 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001467946495 1067540843 /nfs/dbraw/zinc/54/08/43/1067540843.db2.gz GCPJZPYMXMDTSC-UHFFFAOYSA-N 0 3 381.904 3.905 20 5 GHBDHN Cc1ccccc1[C@@H]1C[C@H](C)N([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001473178967 1073835926 /nfs/dbraw/zinc/83/59/26/1073835926.db2.gz BHDSIEAKICAGGJ-FVJLSDCUSA-N 0 3 379.460 3.887 20 5 GHBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)[C@H]1OC ZINC001473448342 1073968164 /nfs/dbraw/zinc/96/81/64/1073968164.db2.gz TWHDLCUAJKNIFD-YMRXKLBXSA-N 0 3 383.876 3.616 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Cc3cccc(F)c3F)CC2)c1 ZINC001473543546 1074010878 /nfs/dbraw/zinc/01/08/78/1074010878.db2.gz NPQMGDXJLDXFHL-IBGZPJMESA-N 0 3 376.403 3.861 20 5 GHBDHN CCOc1cc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001473581805 1074029438 /nfs/dbraw/zinc/02/94/38/1074029438.db2.gz FFZBMXWMYYDSPR-TZIWHRDSSA-N 0 3 384.476 3.952 20 5 GHBDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)c1ccccc1[N+](=O)[O-] ZINC001479443960 1079207803 /nfs/dbraw/zinc/20/78/03/1079207803.db2.gz CDXBUQBYTZZSAC-OAHLLOKOSA-N 0 3 390.509 3.533 20 5 GHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001473853048 1074176953 /nfs/dbraw/zinc/17/69/53/1074176953.db2.gz BJFYXXUKFKLWHZ-OAGGEKHMSA-N 0 3 375.469 3.845 20 5 GHBDHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC001660389367 1126264428 /nfs/dbraw/zinc/26/44/28/1126264428.db2.gz NRZKXMYFIPHYHR-KRWDZBQOSA-N 0 3 397.244 3.580 20 5 GHBDHN CCC[C@H](NCCNC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180786082 837545610 /nfs/dbraw/zinc/54/56/10/837545610.db2.gz WANLRTOTMFIMTF-KRWDZBQOSA-N 0 3 377.391 3.734 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000583584129 834692863 /nfs/dbraw/zinc/69/28/63/834692863.db2.gz BGRUHUIVEVDSMK-AHIWAGSCSA-N 0 3 377.416 3.676 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000411140391 836065016 /nfs/dbraw/zinc/06/50/16/836065016.db2.gz ZYHRPKOTGTUVHC-GOSISDBHSA-N 0 3 387.411 3.908 20 5 GHBDHN COc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000024340353 836314969 /nfs/dbraw/zinc/31/49/69/836314969.db2.gz UHVLFXXZXKSOGY-OAHLLOKOSA-N 0 3 387.465 3.562 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000043231226 836524360 /nfs/dbraw/zinc/52/43/60/836524360.db2.gz MUQDQTPNJAUIHE-QGZVFWFLSA-N 0 3 388.493 3.635 20 5 GHBDHN CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc21 ZINC001167206944 836905762 /nfs/dbraw/zinc/90/57/62/836905762.db2.gz WVYUDIFNXZWRHH-HXUWFJFHSA-N 0 3 379.460 3.883 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000175703531 836966232 /nfs/dbraw/zinc/96/62/32/836966232.db2.gz IEYVZJHHTLLZMN-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN CCn1cnnc1C1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000155396516 837006747 /nfs/dbraw/zinc/00/67/47/837006747.db2.gz XAFLFIARGKKLGQ-UHFFFAOYSA-N 0 3 388.471 3.937 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175859764 837035153 /nfs/dbraw/zinc/03/51/53/837035153.db2.gz VECPGJOLENFZTI-UHFFFAOYSA-N 0 3 398.463 3.732 20 5 GHBDHN CCOc1ccc([C@@H](C)NCCOc2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000180448605 837267061 /nfs/dbraw/zinc/26/70/61/837267061.db2.gz VSSMUGZPPXZSCH-CQSZACIVSA-N 0 3 387.436 3.682 20 5 GHBDHN CSc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000188016785 838479557 /nfs/dbraw/zinc/47/95/57/838479557.db2.gz UNFCRWKDLUUOTN-QGZVFWFLSA-N 0 3 385.489 3.884 20 5 GHBDHN CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@@H]1C ZINC000548038400 838652881 /nfs/dbraw/zinc/65/28/81/838652881.db2.gz BRUUQMFKPLNGER-DOTOQJQBSA-N 0 3 377.488 3.626 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OCC(F)(F)F)cc3)C2)nc1 ZINC000118865891 838732615 /nfs/dbraw/zinc/73/26/15/838732615.db2.gz YGNZWXAQOAIFNZ-AWEZNQCLSA-N 0 3 396.369 3.617 20 5 GHBDHN O=C1CCc2cc([N+](=O)[O-])c(Nc3cccc(CN4CCSCC4)c3)cc2N1 ZINC000104658300 838828426 /nfs/dbraw/zinc/82/84/26/838828426.db2.gz WVCYEGOPKVJTNO-UHFFFAOYSA-N 0 3 398.488 3.772 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412385656 839506065 /nfs/dbraw/zinc/50/60/65/839506065.db2.gz XMAWOROCBFWFGZ-VOQZNFBZSA-N 0 3 393.487 3.679 20 5 GHBDHN O=C(c1cccc(CN2CCCC2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135187026 841365804 /nfs/dbraw/zinc/36/58/04/841365804.db2.gz CLPZNMFOWSWDMK-UHFFFAOYSA-N 0 3 379.460 3.995 20 5 GHBDHN O=C(CCN1CC=C(c2c[nH]c3ncccc23)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000500133031 841500366 /nfs/dbraw/zinc/50/03/66/841500366.db2.gz OSJLCHXMTCNXIU-UHFFFAOYSA-N 0 3 391.431 3.589 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000432331359 842031359 /nfs/dbraw/zinc/03/13/59/842031359.db2.gz MDNWECLKWXQHEI-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN CC[C@@H](C)NC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236873384 842094322 /nfs/dbraw/zinc/09/43/22/842094322.db2.gz OFDLHISHWFQWBO-GFCCVEGCSA-N 0 3 379.844 3.903 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[S@]4=O)s2)cc1 ZINC000600206289 861276362 /nfs/dbraw/zinc/27/63/62/861276362.db2.gz DLOZMNBARSMNCH-YPBQGGFRSA-N 0 3 376.503 3.809 20 5 GHBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000600230525 861316729 /nfs/dbraw/zinc/31/67/29/861316729.db2.gz TUQPPOWJXPBNSE-GOSISDBHSA-N 0 3 394.475 3.794 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600230622 861317331 /nfs/dbraw/zinc/31/73/31/861317331.db2.gz WWDCPDNOONSLGS-MRXNPFEDSA-N 0 3 377.510 3.844 20 5 GHBDHN C[N@H+](Cc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000187550140 842644536 /nfs/dbraw/zinc/64/45/36/842644536.db2.gz ZOLDVXCRDOGAGG-UHFFFAOYSA-N 0 3 384.436 3.712 20 5 GHBDHN C[N@@H+](Cc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000187550140 842644543 /nfs/dbraw/zinc/64/45/43/842644543.db2.gz ZOLDVXCRDOGAGG-UHFFFAOYSA-N 0 3 384.436 3.712 20 5 GHBDHN CSc1cccc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188207007 842815731 /nfs/dbraw/zinc/81/57/31/842815731.db2.gz RPRHQHWWYZPUSN-GOEBONIOSA-N 0 3 385.489 3.710 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000510632223 843095033 /nfs/dbraw/zinc/09/50/33/843095033.db2.gz VIOXTUPNQUNZRO-HXUWFJFHSA-N 0 3 399.447 3.600 20 5 GHBDHN CN(CCS[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)Cc1ccccc1 ZINC000433038795 845041115 /nfs/dbraw/zinc/04/11/15/845041115.db2.gz LLRXTUUJMNNJQO-IBGZPJMESA-N 0 3 385.489 3.565 20 5 GHBDHN CSc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000513293305 845193487 /nfs/dbraw/zinc/19/34/87/845193487.db2.gz DYUVZXRUGWEBGJ-QGZVFWFLSA-N 0 3 385.489 3.711 20 5 GHBDHN C[C@@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182507854 845473843 /nfs/dbraw/zinc/47/38/43/845473843.db2.gz XKQDORJMEOAWPD-CQSZACIVSA-N 0 3 389.427 3.553 20 5 GHBDHN CCOc1ccc(C(=O)N(CCN(C)C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000072034673 846254643 /nfs/dbraw/zinc/25/46/43/846254643.db2.gz ZEOPUBSDUMFCQY-UHFFFAOYSA-N 0 3 377.485 3.578 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000127534064 847048957 /nfs/dbraw/zinc/04/89/57/847048957.db2.gz NGSCGKHDRIZWCU-UHFFFAOYSA-N 0 3 392.525 3.695 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(C)c2)CC1 ZINC000162596345 861843405 /nfs/dbraw/zinc/84/34/05/861843405.db2.gz IMDIZOZDEPMXOQ-UHFFFAOYSA-N 0 3 397.479 3.998 20 5 GHBDHN CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178686034 848533504 /nfs/dbraw/zinc/53/35/04/848533504.db2.gz YDQGVNQYEHDAPF-KBPBESRZSA-N 0 3 377.466 3.768 20 5 GHBDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612485982 848632897 /nfs/dbraw/zinc/63/28/97/848632897.db2.gz OMZOHGAITDMFJO-IRXDYDNUSA-N 0 3 399.466 3.960 20 5 GHBDHN COc1cc(C[NH2+]C[C@H](C)CSc2ccccc2OC)c([N+](=O)[O-])cc1[O-] ZINC000504171546 849952389 /nfs/dbraw/zinc/95/23/89/849952389.db2.gz ZEYWSHWIPULJHK-ZDUSSCGKSA-N 0 3 392.477 3.836 20 5 GHBDHN C[C@H](CN1CCOCC1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435046987 850018511 /nfs/dbraw/zinc/01/85/11/850018511.db2.gz ZRIGKWMVSAUOHJ-CQSZACIVSA-N 0 3 393.871 3.661 20 5 GHBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435278075 850323235 /nfs/dbraw/zinc/32/32/35/850323235.db2.gz DQLVZLBXRCNQCG-GOEBONIOSA-N 0 3 388.395 3.958 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)Nc1ccc(F)cc1 ZINC000504895644 850423639 /nfs/dbraw/zinc/42/36/39/850423639.db2.gz VTRYBMRTMYGMHJ-AWEZNQCLSA-N 0 3 377.441 3.833 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000487591607 850762329 /nfs/dbraw/zinc/76/23/29/850762329.db2.gz MPNJMSZONNVTJZ-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000143056953 862269881 /nfs/dbraw/zinc/26/98/81/862269881.db2.gz TXXKNNDPUKBWIJ-HXUWFJFHSA-N 0 3 397.475 3.625 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)n1 ZINC000489009809 851920602 /nfs/dbraw/zinc/92/06/02/851920602.db2.gz KUMQLMFOQVPUKW-UHFFFAOYSA-N 0 3 393.447 3.602 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccc3OCc3ccncc3)CC2)n1 ZINC000425960790 852130898 /nfs/dbraw/zinc/13/08/98/852130898.db2.gz PXDZEHBQUKOVDZ-UHFFFAOYSA-N 0 3 393.447 3.602 20 5 GHBDHN Cc1cc(NC[C@H](c2ccsc2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489232908 852151859 /nfs/dbraw/zinc/15/18/59/852151859.db2.gz NZSGZQFCUSPWQA-QGZVFWFLSA-N 0 3 383.477 3.558 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489330145 852236072 /nfs/dbraw/zinc/23/60/72/852236072.db2.gz MZDNDGPDJOOLBU-YLJYHZDGSA-N 0 3 396.491 3.928 20 5 GHBDHN C[C@@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570933367 853650852 /nfs/dbraw/zinc/65/08/52/853650852.db2.gz UGMXBDKWWXHFCD-IERDGZPVSA-N 0 3 382.464 3.620 20 5 GHBDHN CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760656939 853659521 /nfs/dbraw/zinc/65/95/21/853659521.db2.gz NZOCFKAYNORTIV-DGDFFNOKSA-N 0 3 379.460 3.731 20 5 GHBDHN C[C@H](CN1CCCC1=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000171050802 862564113 /nfs/dbraw/zinc/56/41/13/862564113.db2.gz SVIARBXNAUDXIH-GFCCVEGCSA-N 0 3 377.828 3.609 20 5 GHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@@H](O)C1CC1 ZINC000589197036 854743656 /nfs/dbraw/zinc/74/36/56/854743656.db2.gz UWWWQCQBMOCWAX-MRXNPFEDSA-N 0 3 395.253 3.820 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2Cc2ccccc2OC)c1 ZINC000589497589 854910315 /nfs/dbraw/zinc/91/03/15/854910315.db2.gz OOYONWNSEXINQH-SFHVURJKSA-N 0 3 384.432 3.597 20 5 GHBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000301595116 855267846 /nfs/dbraw/zinc/26/78/46/855267846.db2.gz VKXINAJEXIHQDZ-MOPGFXCFSA-N 0 3 379.460 3.889 20 5 GHBDHN Cc1c([C@H](C)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000765848177 855556435 /nfs/dbraw/zinc/55/64/35/855556435.db2.gz HDSDTRWHLKTNJI-RBZFPXEDSA-N 0 3 384.411 3.612 20 5 GHBDHN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000171440548 856140351 /nfs/dbraw/zinc/14/03/51/856140351.db2.gz AKTSVLOIBNEAIS-KRWDZBQOSA-N 0 3 381.432 3.697 20 5 GHBDHN COc1ccc(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])c1 ZINC000171694028 856233967 /nfs/dbraw/zinc/23/39/67/856233967.db2.gz YUAACGHUATWKTK-UHFFFAOYSA-N 0 3 387.411 3.740 20 5 GHBDHN Cc1ccc([C@H](C)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000153474834 856622667 /nfs/dbraw/zinc/62/26/67/856622667.db2.gz ZPCGQRRHGNBSRJ-MSOLQXFVSA-N 0 3 383.492 3.975 20 5 GHBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000134173164 862873024 /nfs/dbraw/zinc/87/30/24/862873024.db2.gz WJOGQXFPCSSNAU-INIZCTEOSA-N 0 3 393.365 3.747 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1 ZINC000593029908 857185472 /nfs/dbraw/zinc/18/54/72/857185472.db2.gz ZMXUGGLKDKELKF-GIPAHHNCSA-N 0 3 390.480 3.533 20 5 GHBDHN CN(C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301821141 858024236 /nfs/dbraw/zinc/02/42/36/858024236.db2.gz BKJPJCRXCFDIDP-ZDUSSCGKSA-N 0 3 383.221 3.606 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(CC2CCCCC2)CC1 ZINC000521466858 858024294 /nfs/dbraw/zinc/02/42/94/858024294.db2.gz UUQPVZCCGNQUKG-UHFFFAOYSA-N 0 3 380.876 3.978 20 5 GHBDHN COc1cc(CN[C@H](C)C[C@@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000521832639 858350066 /nfs/dbraw/zinc/35/00/66/858350066.db2.gz HYSCDQMLZYJEPX-YPMHNXCESA-N 0 3 392.374 3.592 20 5 GHBDHN CCN1CCN(C[C@H](C)CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000439107140 858394468 /nfs/dbraw/zinc/39/44/68/858394468.db2.gz LKFZSACGTISNLR-GFCCVEGCSA-N 0 3 375.300 3.587 20 5 GHBDHN COc1ccccc1-c1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000595105086 858406433 /nfs/dbraw/zinc/40/64/33/858406433.db2.gz XEFZXHAEPFLPTI-SJLPKXTDSA-N 0 3 397.435 3.728 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000439133384 858446739 /nfs/dbraw/zinc/44/67/39/858446739.db2.gz RQYAEKKPIWKBMC-UHFFFAOYSA-N 0 3 391.855 3.886 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@H](Oc3cccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170355653 881397602 /nfs/dbraw/zinc/39/76/02/881397602.db2.gz NZFUFWQDEPHELR-APWZRJJASA-N 0 3 385.464 3.781 20 5 GHBDHN CCN1CCN(c2ccc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000597666386 859715251 /nfs/dbraw/zinc/71/52/51/859715251.db2.gz HMNAUQXQYDGTFY-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN Cc1c(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] ZINC000765030081 859738446 /nfs/dbraw/zinc/73/84/46/859738446.db2.gz SIDMNHWXOGIPHX-FQEVSTJZSA-N 0 3 375.469 3.736 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000161497807 860005591 /nfs/dbraw/zinc/00/55/91/860005591.db2.gz GLPHOLIOEJCTIZ-SFHVURJKSA-N 0 3 375.494 3.707 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000484513051 860064858 /nfs/dbraw/zinc/06/48/58/860064858.db2.gz IHDUFJIGTXCCFW-KUHUBIRLSA-N 0 3 386.452 3.806 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](CO)C2)cc1 ZINC000154608826 860199137 /nfs/dbraw/zinc/19/91/37/860199137.db2.gz FBQIRBNLWUZGGS-QGZVFWFLSA-N 0 3 392.459 3.652 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124676768 860466766 /nfs/dbraw/zinc/46/67/66/860466766.db2.gz COHVAPCCQVKMMN-KRWDZBQOSA-N 0 3 399.495 3.561 20 5 GHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000185633155 861096712 /nfs/dbraw/zinc/09/67/12/861096712.db2.gz YUNQGKADFRTNJA-NSHDSACASA-N 0 3 386.374 3.700 20 5 GHBDHN COc1cc(CN[C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000185640808 861106693 /nfs/dbraw/zinc/10/66/93/861106693.db2.gz OSAUFYGVARLSTN-RISCZKNCSA-N 0 3 394.374 3.859 20 5 GHBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603738660 861131983 /nfs/dbraw/zinc/13/19/83/861131983.db2.gz CBCNVVNJOIOXMW-UHFFFAOYSA-N 0 3 379.416 3.519 20 5 GHBDHN CN(C)CCN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000155181352 881666403 /nfs/dbraw/zinc/66/64/03/881666403.db2.gz JJKMSRLEOQBEDT-UHFFFAOYSA-N 0 3 399.289 3.695 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000554236275 863928278 /nfs/dbraw/zinc/92/82/78/863928278.db2.gz DAUICCWSPIOCCC-GOSISDBHSA-N 0 3 390.867 3.695 20 5 GHBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000475109418 864189571 /nfs/dbraw/zinc/18/95/71/864189571.db2.gz QUXGOJZCFSWFIJ-AEFFLSMTSA-N 0 3 397.475 3.901 20 5 GHBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 ZINC000184369904 864391596 /nfs/dbraw/zinc/39/15/96/864391596.db2.gz CRQDOYAVPLXTGZ-CYBMUJFWSA-N 0 3 390.486 3.934 20 5 GHBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444339887 864843491 /nfs/dbraw/zinc/84/34/91/864843491.db2.gz SXFKCCAJCYXINF-MRXNPFEDSA-N 0 3 377.488 3.676 20 5 GHBDHN CCCCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000554852458 865043818 /nfs/dbraw/zinc/04/38/18/865043818.db2.gz ZYDUYJPEQIIATL-JEBQAFNWSA-N 0 3 393.484 3.504 20 5 GHBDHN COc1ccc(OC)c([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000121306339 865405560 /nfs/dbraw/zinc/40/55/60/865405560.db2.gz IHJKHCNNKLWFTH-CQSZACIVSA-N 0 3 387.436 3.600 20 5 GHBDHN COc1ccc([C@@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000192589017 881925830 /nfs/dbraw/zinc/92/58/30/881925830.db2.gz GERVFWVCYWBSSI-VLIAUNLRSA-N 0 3 383.448 3.980 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000183284850 866559374 /nfs/dbraw/zinc/55/93/74/866559374.db2.gz WPXMNSOMUCLGBK-UHFFFAOYSA-N 0 3 388.855 3.802 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000553390761 867309649 /nfs/dbraw/zinc/30/96/49/867309649.db2.gz MPMDJPYVSHYGIK-FQEVSTJZSA-N 0 3 396.491 3.616 20 5 GHBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444994937 867591843 /nfs/dbraw/zinc/59/18/43/867591843.db2.gz FYQWGMQJOMOEMX-QGZVFWFLSA-N 0 3 389.499 3.676 20 5 GHBDHN COc1cccc([C@H](CNc2nc3ccccn3c2[N+](=O)[O-])N2CCCC2)c1 ZINC000743078979 867803295 /nfs/dbraw/zinc/80/32/95/867803295.db2.gz NKTXCTVAEUNCTM-KRWDZBQOSA-N 0 3 381.436 3.500 20 5 GHBDHN COC(=O)c1cc(NC[C@H](c2ccc(F)cc2)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000440714568 868215799 /nfs/dbraw/zinc/21/57/99/868215799.db2.gz LRVJWCRFJCRJGZ-QGZVFWFLSA-N 0 3 375.400 3.544 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459658013 868934729 /nfs/dbraw/zinc/93/47/29/868934729.db2.gz IOMPZSJXEVKDRT-INIZCTEOSA-N 0 3 388.386 3.655 20 5 GHBDHN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)c(C)c2)CC1 ZINC000524580502 869299680 /nfs/dbraw/zinc/29/96/80/869299680.db2.gz WHVVEUMTUUOEJY-UHFFFAOYSA-N 0 3 375.860 3.837 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000462771525 870068825 /nfs/dbraw/zinc/06/88/25/870068825.db2.gz FPJYLTVLWIHTJW-DUXKGJEZSA-N 0 3 395.503 3.943 20 5 GHBDHN COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463198287 871112589 /nfs/dbraw/zinc/11/25/89/871112589.db2.gz DENSMTACCNRUMX-YRMAPFEESA-N 0 3 380.460 3.894 20 5 GHBDHN COc1ccc(Cl)cc1[C@@H](CC(C)C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000540414918 871218107 /nfs/dbraw/zinc/21/81/07/871218107.db2.gz VVNVZVWLTGBXHP-QGZVFWFLSA-N 0 3 393.871 3.796 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](Cc1ccccc1)[C@H](O)C(F)F)CCC2 ZINC000447526374 871757206 /nfs/dbraw/zinc/75/72/06/871757206.db2.gz CZQKAEOBLVPODA-QYZOEREBSA-N 0 3 376.403 3.799 20 5 GHBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCSc2ccc(Br)cc21 ZINC000478005657 872342227 /nfs/dbraw/zinc/34/22/27/872342227.db2.gz WSBLTNWTFZRMEH-ZDUSSCGKSA-N 0 3 397.298 3.723 20 5 GHBDHN CCC[C@@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000153113898 882615028 /nfs/dbraw/zinc/61/50/28/882615028.db2.gz KFCBLPPAPGJYDC-LJQANCHMSA-N 0 3 392.477 3.508 20 5 GHBDHN CCOc1cccc(NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)c1[N+](=O)[O-] ZINC000443438297 872714356 /nfs/dbraw/zinc/71/43/56/872714356.db2.gz DYDUGHPVIWGOBX-MRXNPFEDSA-N 0 3 389.452 3.726 20 5 GHBDHN C[C@H](c1ccccc1F)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460350996 872795873 /nfs/dbraw/zinc/79/58/73/872795873.db2.gz LDDPEKCTUFRPSI-CQSZACIVSA-N 0 3 383.427 3.884 20 5 GHBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000464074178 873173615 /nfs/dbraw/zinc/17/36/15/873173615.db2.gz LTIOTUGKIYESPN-RBUKOAKNSA-N 0 3 388.489 3.540 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)/C=C(\C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000770144126 874496752 /nfs/dbraw/zinc/49/67/52/874496752.db2.gz RGLCPHWGXKKYQV-BMRADRMJSA-N 0 3 394.475 3.779 20 5 GHBDHN C[C@H](CCN(C)Cc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000770148702 874500683 /nfs/dbraw/zinc/50/06/83/874500683.db2.gz IYOIOPZHJPSTCS-MRXNPFEDSA-N 0 3 386.452 3.845 20 5 GHBDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC000491974470 876072179 /nfs/dbraw/zinc/07/21/79/876072179.db2.gz BSKHQUJCQAGKSA-YWZLYKJASA-N 0 3 396.447 3.945 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000537677296 883116873 /nfs/dbraw/zinc/11/68/73/883116873.db2.gz FGGIBXMTJSVZPY-QFBILLFUSA-N 0 3 381.476 3.913 20 5 GHBDHN CCOc1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000610051441 877334684 /nfs/dbraw/zinc/33/46/84/877334684.db2.gz RUAQEFLMQWCDRC-UHFFFAOYSA-N 0 3 383.448 3.736 20 5 GHBDHN CN(CCOc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000787340298 877362873 /nfs/dbraw/zinc/36/28/73/877362873.db2.gz BVXZVBASCWSJGI-QGZVFWFLSA-N 0 3 384.354 3.658 20 5 GHBDHN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192752047 877583362 /nfs/dbraw/zinc/58/33/62/877583362.db2.gz MAINIMDKQYZNOE-FTRWYGJKSA-N 0 3 383.448 3.679 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000237577512 877632053 /nfs/dbraw/zinc/63/20/53/877632053.db2.gz HTLXBZPDAVGPCE-MRXNPFEDSA-N 0 3 382.464 3.702 20 5 GHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@H](c1cccs1)N1CCCC1 ZINC000068178576 878047443 /nfs/dbraw/zinc/04/74/43/878047443.db2.gz SIQNERROQYXLBZ-GOSISDBHSA-N 0 3 398.488 3.564 20 5 GHBDHN Cc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 ZINC000788761293 878298625 /nfs/dbraw/zinc/29/86/25/878298625.db2.gz YGSQFJIVGDTELW-LBPRGKRZSA-N 0 3 386.843 3.570 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccccc1OC ZINC000537982208 878620937 /nfs/dbraw/zinc/62/09/37/878620937.db2.gz OINPNCDBYJYHBW-GDBMZVCRSA-N 0 3 376.478 3.797 20 5 GHBDHN C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000761528016 879234764 /nfs/dbraw/zinc/23/47/64/879234764.db2.gz XGJQCYAWIWWCET-FOIQADDNSA-N 0 3 389.883 3.627 20 5 GHBDHN CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265966550 879611034 /nfs/dbraw/zinc/61/10/34/879611034.db2.gz VFVGCLOERKTCOT-NXHRZFHOSA-N 0 3 386.452 3.670 20 5 GHBDHN CSc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000494005569 879810661 /nfs/dbraw/zinc/81/06/61/879810661.db2.gz ANGZYNVJPGAYDV-YOEHRIQHSA-N 0 3 385.489 3.710 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000790588267 879845475 /nfs/dbraw/zinc/84/54/75/879845475.db2.gz RFJZJGGOUDBIFW-GOSISDBHSA-N 0 3 393.846 3.657 20 5 GHBDHN CC(C)CN(Cc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520172645 880012937 /nfs/dbraw/zinc/01/29/37/880012937.db2.gz SFSURTKXYAJTLN-GOSISDBHSA-N 0 3 376.428 3.632 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000112820869 880167855 /nfs/dbraw/zinc/16/78/55/880167855.db2.gz RZSHPOQWUKAXOT-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)Nc1cccnc1C ZINC000453468461 880977667 /nfs/dbraw/zinc/97/76/67/880977667.db2.gz ZJZJDYASIKZSBP-GJZGRUSLSA-N 0 3 388.493 3.786 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000499126816 881199888 /nfs/dbraw/zinc/19/98/88/881199888.db2.gz XWEZNXAELFWOOX-TWOQFEAHSA-N 0 3 384.480 3.955 20 5 GHBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000609639530 883465403 /nfs/dbraw/zinc/46/54/03/883465403.db2.gz CTCQTBASBBDOEI-HXUWFJFHSA-N 0 3 382.464 3.621 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCOC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000609677649 883533357 /nfs/dbraw/zinc/53/33/57/883533357.db2.gz VDEGUPCYGNAWCN-IBGZPJMESA-N 0 3 385.464 3.648 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC34CC(O)C4)o2)c(Br)c1 ZINC000897850586 884490478 /nfs/dbraw/zinc/49/04/78/884490478.db2.gz KCXTZDOIVNULBK-BROWOHMESA-N 0 3 393.237 3.620 20 5 GHBDHN O=[N+]([O-])c1ccccc1CNCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000898163448 884623754 /nfs/dbraw/zinc/62/37/54/884623754.db2.gz BDGDSHPYRFQDFZ-UHFFFAOYSA-N 0 3 380.366 3.710 20 5 GHBDHN CCOc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001130799031 885161838 /nfs/dbraw/zinc/16/18/38/885161838.db2.gz QSGXTKDYRGSBLR-VXGBXAGGSA-N 0 3 376.331 3.680 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000537562685 885422120 /nfs/dbraw/zinc/42/21/20/885422120.db2.gz UTCTXSONRBKCHD-QGZVFWFLSA-N 0 3 393.447 3.638 20 5 GHBDHN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193352671 885668217 /nfs/dbraw/zinc/66/82/17/885668217.db2.gz ODVYHMBMBVHJHN-RBZFPXEDSA-N 0 3 399.447 3.680 20 5 GHBDHN Cc1ccc([C@H](C)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000532517513 885918053 /nfs/dbraw/zinc/91/80/53/885918053.db2.gz KBTHZRWMTYHZJX-NJNPRVFISA-N 0 3 383.492 3.843 20 5 GHBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1[N+](=O)[O-] ZINC000862283538 886277244 /nfs/dbraw/zinc/27/72/44/886277244.db2.gz JVMUDBFVHXMKOH-RLFYNMQTSA-N 0 3 393.484 3.578 20 5 GHBDHN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(CC2CCCCC2)CC1 ZINC000809922085 887973885 /nfs/dbraw/zinc/97/38/85/887973885.db2.gz NXZZKYOUJOCJAF-UHFFFAOYSA-N 0 3 380.876 3.978 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000809985801 888041944 /nfs/dbraw/zinc/04/19/44/888041944.db2.gz UUVDQBUDWPYUQD-JKSUJKDBSA-N 0 3 388.295 3.635 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCO[C@H](c2ccccc2)C1 ZINC000609234044 888136371 /nfs/dbraw/zinc/13/63/71/888136371.db2.gz MKCCSKOKMOPKGM-FQEVSTJZSA-N 0 3 383.448 3.695 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000488074797 888724257 /nfs/dbraw/zinc/72/42/57/888724257.db2.gz ZRCUIEJOBCKFPX-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCCN4c5ccccc5C[C@@H]4C3)c2)cc1 ZINC000811784394 889945328 /nfs/dbraw/zinc/94/53/28/889945328.db2.gz VKHXYRBNSZIYNE-OAQYLSRUSA-N 0 3 389.459 3.553 20 5 GHBDHN CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001133420800 890916499 /nfs/dbraw/zinc/91/64/99/890916499.db2.gz PMDHLBARVYKTGI-QGZVFWFLSA-N 0 3 396.491 3.616 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1nnc2n1CCCCC2 ZINC000872020462 891119752 /nfs/dbraw/zinc/11/97/52/891119752.db2.gz IFGDORWDQCBUBC-CYBMUJFWSA-N 0 3 375.498 3.528 20 5 GHBDHN CC(COC(=O)c1ccccc1OCc1cccc(Br)c1)[N+](=O)[O-] ZINC000813102682 891274038 /nfs/dbraw/zinc/27/40/38/891274038.db2.gz ISVUQXXCOZLKQG-GFCCVEGCSA-N 0 3 394.221 3.850 20 5 GHBDHN CCN1CCN(C[C@@H](C)CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001184928519 913542313 /nfs/dbraw/zinc/54/23/13/913542313.db2.gz ZELGIPUHXYLZCJ-LBPRGKRZSA-N 0 3 375.300 3.587 20 5 GHBDHN CC(COC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)[N+](=O)[O-] ZINC000813115305 891306347 /nfs/dbraw/zinc/30/63/47/891306347.db2.gz OTXHPWQZKYCUQG-WBMJQRKESA-N 0 3 394.221 3.778 20 5 GHBDHN CC(COC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114568 891306638 /nfs/dbraw/zinc/30/66/38/891306638.db2.gz CULCPKLVRABITL-NSHDSACASA-N 0 3 393.783 3.682 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000237390694 891629067 /nfs/dbraw/zinc/62/90/67/891629067.db2.gz HTLXBZPDAVGPCE-INIZCTEOSA-N 0 3 382.464 3.702 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccccc2)C[C@H](O)c2ccsc2)c1 ZINC000154442399 892186253 /nfs/dbraw/zinc/18/62/53/892186253.db2.gz CAYHKMPFIHHSQW-SFTDATJTSA-N 0 3 398.484 3.926 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000814253817 892467664 /nfs/dbraw/zinc/46/76/64/892467664.db2.gz LUXAMWAHINKXOD-UHFFFAOYSA-N 0 3 396.491 3.653 20 5 GHBDHN Cc1ccc([C@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])N2CCCC2)o1 ZINC001185180289 913705205 /nfs/dbraw/zinc/70/52/05/913705205.db2.gz MCGAEQAJPHYYGP-KRWDZBQOSA-N 0 3 384.411 3.854 20 5 GHBDHN COc1ccc([C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000217107959 893013247 /nfs/dbraw/zinc/01/32/47/893013247.db2.gz ZUEKBHJAGDUERA-LJQANCHMSA-N 0 3 389.839 3.936 20 5 GHBDHN COC(=O)[C@]1(C)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000536667384 893485288 /nfs/dbraw/zinc/48/52/88/893485288.db2.gz BEVVDVDPZNDQDL-GOSISDBHSA-N 0 3 378.812 3.893 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000536874599 893986271 /nfs/dbraw/zinc/98/62/71/893986271.db2.gz CWBDZJAFMKONPD-SCLBCKFNSA-N 0 3 387.411 3.955 20 5 GHBDHN COc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000815557777 893996898 /nfs/dbraw/zinc/99/68/98/893996898.db2.gz DHYLZHPLTGBBOE-NSHDSACASA-N 0 3 399.369 3.978 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815636032 894085188 /nfs/dbraw/zinc/08/51/88/894085188.db2.gz NVFAZDMLFLNTIK-UONOGXRCSA-N 0 3 384.436 3.936 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cc(C)ccc1OC ZINC000459737755 894158382 /nfs/dbraw/zinc/15/83/82/894158382.db2.gz WJHDALLBXHZJGG-AWEZNQCLSA-N 0 3 387.436 3.600 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCC[C@@H]2C2CCOCC2)o1 ZINC000878381137 894245163 /nfs/dbraw/zinc/24/51/63/894245163.db2.gz QQZWIOGCACIUSY-OAHLLOKOSA-N 0 3 392.843 3.689 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000041800414 896765139 /nfs/dbraw/zinc/76/51/39/896765139.db2.gz IYOSTGBMKJBHQF-IBGZPJMESA-N 0 3 387.505 3.912 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000568565622 897940869 /nfs/dbraw/zinc/94/08/69/897940869.db2.gz AGXOCSCCVMBHDC-MJGOQNOKSA-N 0 3 375.856 3.792 20 5 GHBDHN Cc1cc(F)cc(C(=O)NCC2(N3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000132884219 897959352 /nfs/dbraw/zinc/95/93/52/897959352.db2.gz ZWHWIJWCZBPQAR-UHFFFAOYSA-N 0 3 395.500 3.524 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000822190750 898249536 /nfs/dbraw/zinc/24/95/36/898249536.db2.gz MDABYRZTEYEPDW-UHFFFAOYSA-N 0 3 375.450 3.639 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000289843597 914376153 /nfs/dbraw/zinc/37/61/53/914376153.db2.gz KGSZIUILOYJAOL-MRXNPFEDSA-N 0 3 387.827 3.589 20 5 GHBDHN Cn1ccnc1[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000825325876 900094079 /nfs/dbraw/zinc/09/40/79/900094079.db2.gz HTCQZLZWQMWXKH-OCCSQVGLSA-N 0 3 385.251 3.645 20 5 GHBDHN CC(=O)c1cc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000574227481 900823955 /nfs/dbraw/zinc/82/39/55/900823955.db2.gz UOENMWFSJOTBBT-QFIPXVFZSA-N 0 3 379.460 3.900 20 5 GHBDHN Cc1ccc(CN(C)C[C@@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC001171179788 902101224 /nfs/dbraw/zinc/10/12/24/902101224.db2.gz OPWFURQSPLEYKL-QGZVFWFLSA-N 0 3 379.254 3.831 20 5 GHBDHN CCC(=O)c1ccc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872670 902472438 /nfs/dbraw/zinc/47/24/38/902472438.db2.gz LKDQSHIHMSVDOZ-ZUOKHONESA-N 0 3 389.379 3.747 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872476 902474059 /nfs/dbraw/zinc/47/40/59/902474059.db2.gz IFUPRVMJPOSRDA-SGTLLEGYSA-N 0 3 386.379 3.738 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872998 902476920 /nfs/dbraw/zinc/47/69/20/902476920.db2.gz AOXRPQJOIRZTTN-PSVSLLHZSA-N 0 3 383.322 3.821 20 5 GHBDHN CC([C@@H](OC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874280 902478362 /nfs/dbraw/zinc/47/83/62/902478362.db2.gz GXSGJJAUCRDYQM-BIENJYKASA-N 0 3 387.411 3.630 20 5 GHBDHN CO[C@H](C)c1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845878913 902484185 /nfs/dbraw/zinc/48/41/85/902484185.db2.gz UHUBCXQZGSIISD-GYSYKLTISA-N 0 3 382.413 3.861 20 5 GHBDHN CC([C@H](OC(=O)COCc1cccc(Cl)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845882950 902488004 /nfs/dbraw/zinc/48/80/04/902488004.db2.gz XGKRJZXFCCVYGG-SGTLLEGYSA-N 0 3 381.787 3.945 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845884105 902489373 /nfs/dbraw/zinc/48/93/73/902489373.db2.gz XMJVDSXDWVMPFT-PZROIBLQSA-N 0 3 375.352 3.608 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)co2)cc1 ZINC000152306600 904256143 /nfs/dbraw/zinc/25/61/43/904256143.db2.gz PDPLOXAQNHPTDQ-HNNXBMFYSA-N 0 3 394.435 3.625 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)co2)cc1 ZINC000152306600 904256154 /nfs/dbraw/zinc/25/61/54/904256154.db2.gz PDPLOXAQNHPTDQ-HNNXBMFYSA-N 0 3 394.435 3.625 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001173220767 906298487 /nfs/dbraw/zinc/29/84/87/906298487.db2.gz CFSGBYMTAXMOBA-MGPUTAFESA-N 0 3 375.469 3.611 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001173227887 906311509 /nfs/dbraw/zinc/31/15/09/906311509.db2.gz SGLXTOAADZTVAX-MRXNPFEDSA-N 0 3 379.460 3.580 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001173234465 906322012 /nfs/dbraw/zinc/32/20/12/906322012.db2.gz RQXWPGZHLMDAJI-VYDXJSESSA-N 0 3 377.485 3.903 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000191341471 906886772 /nfs/dbraw/zinc/88/67/72/906886772.db2.gz QFLBLWXUMVCDHM-UHFFFAOYSA-N 0 3 388.443 3.946 20 5 GHBDHN COc1ccc(CN2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001176122194 907949347 /nfs/dbraw/zinc/94/93/47/907949347.db2.gz SELNHTWJHLBZIJ-GDBMZVCRSA-N 0 3 393.484 3.586 20 5 GHBDHN CN(C)c1noc([C@H]2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000194930917 908940766 /nfs/dbraw/zinc/94/07/66/908940766.db2.gz LVZCGFVJKYEVPO-HNNXBMFYSA-N 0 3 397.435 3.683 20 5 GHBDHN COc1cc(CNCCc2ccncc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000270021104 910408817 /nfs/dbraw/zinc/40/88/17/910408817.db2.gz WPVQKTUZWPFZDZ-UHFFFAOYSA-N 0 3 399.369 3.580 20 5 GHBDHN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1SC ZINC000270352924 910530974 /nfs/dbraw/zinc/53/09/74/910530974.db2.gz CQTPCFLCONWCAC-UHFFFAOYSA-N 0 3 389.477 3.948 20 5 GHBDHN COc1ccccc1OCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000091899699 911327096 /nfs/dbraw/zinc/32/70/96/911327096.db2.gz CTDYQFDHCCBLGS-UHFFFAOYSA-N 0 3 396.447 3.515 20 5 GHBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc21 ZINC000283354692 911475010 /nfs/dbraw/zinc/47/50/10/911475010.db2.gz MSGQFGSZOHPOON-MSOLQXFVSA-N 0 3 384.432 3.875 20 5 GHBDHN O=[N+]([O-])c1cnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(Cl)c1 ZINC000369542259 923409341 /nfs/dbraw/zinc/40/93/41/923409341.db2.gz SARYBBAZOKMEDZ-UHFFFAOYSA-N 0 3 378.782 3.860 20 5 GHBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373428729 926114339 /nfs/dbraw/zinc/11/43/39/926114339.db2.gz VENKCTNARBNAKO-ZZXKWVIFSA-N 0 3 397.397 3.530 20 5 GHBDHN Cc1nn(CN2CCCC[C@@H]2Cc2ccc(F)cc2)c2ncc([N+](=O)[O-])cc12 ZINC000749952106 927368508 /nfs/dbraw/zinc/36/85/08/927368508.db2.gz SYQBNBFBSHMSAE-QGZVFWFLSA-N 0 3 383.427 3.842 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000752352776 928788322 /nfs/dbraw/zinc/78/83/22/928788322.db2.gz JEZWKCISLPSYLF-HXUWFJFHSA-N 0 3 382.416 3.802 20 5 GHBDHN CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000544620319 929351416 /nfs/dbraw/zinc/35/14/16/929351416.db2.gz IQRLTSACUBKKPT-UHFFFAOYSA-N 0 3 386.427 3.692 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757248918 929680986 /nfs/dbraw/zinc/68/09/86/929680986.db2.gz SHIDYFXPFMERTI-UHFFFAOYSA-N 0 3 390.871 3.522 20 5 GHBDHN CCOc1cccc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000546578341 930274577 /nfs/dbraw/zinc/27/45/77/930274577.db2.gz MOEZERRZOKWWRZ-IAGOWNOFSA-N 0 3 391.512 3.709 20 5 GHBDHN CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546893577 930516515 /nfs/dbraw/zinc/51/65/15/930516515.db2.gz WTEFCHWINKZQMH-QFBILLFUSA-N 0 3 399.466 3.960 20 5 GHBDHN C/C(=C\C(=O)NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783893278 931706558 /nfs/dbraw/zinc/70/65/58/931706558.db2.gz IUMYDBKBBRPKLC-BMRADRMJSA-N 0 3 379.460 3.563 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925236135 931712148 /nfs/dbraw/zinc/71/21/48/931712148.db2.gz FPIRZBRRUOKPEZ-QGZVFWFLSA-N 0 3 396.491 3.962 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc2ccc(Br)cn12 ZINC000559073322 932413532 /nfs/dbraw/zinc/41/35/32/932413532.db2.gz MISNSIUUBPIREX-UHFFFAOYSA-N 0 3 389.253 3.680 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](CCO)Cc3ccccc3)cs2)c1 ZINC000799350665 932962252 /nfs/dbraw/zinc/96/22/52/932962252.db2.gz WWELMSIMIZCTQP-KRWDZBQOSA-N 0 3 383.473 3.802 20 5 GHBDHN Cc1nn(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c2ccc([N+](=O)[O-])cc12 ZINC000799943196 933182359 /nfs/dbraw/zinc/18/23/59/933182359.db2.gz QQQZOWBEJVAQAW-MRXNPFEDSA-N 0 3 394.479 3.623 20 5 GHBDHN C[C@@H](CN1CCCC1=O)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116012950 933282829 /nfs/dbraw/zinc/28/28/29/933282829.db2.gz KXQUUNGOQISOJZ-LBPRGKRZSA-N 0 3 377.828 3.609 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000561652573 934338403 /nfs/dbraw/zinc/33/84/03/934338403.db2.gz QWNFZFWBWFRMSR-NRFANRHFSA-N 0 3 399.491 3.734 20 5 GHBDHN O=[N+]([O-])c1c(Cl)c2ccccc2nc1-n1nc(C(F)(F)F)c2c1CCNC2 ZINC001154849169 1032310327 /nfs/dbraw/zinc/31/03/27/1032310327.db2.gz FYZZIKKMFLYBHY-UHFFFAOYSA-N 0 3 397.744 3.647 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000931319102 1017956684 /nfs/dbraw/zinc/95/66/84/1017956684.db2.gz AIWKUYBLQHCOGA-QIBOZCLASA-N 0 3 387.411 3.635 20 5 GHBDHN C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000579620898 1020427538 /nfs/dbraw/zinc/42/75/38/1020427538.db2.gz ICLKSEPGNKEVSP-SFHVURJKSA-N 0 3 395.503 3.995 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000834903297 1021654440 /nfs/dbraw/zinc/65/44/40/1021654440.db2.gz HHKSZGHSEFQUJE-WBVHZDCISA-N 0 3 393.484 3.580 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000754361280 1022640063 /nfs/dbraw/zinc/64/00/63/1022640063.db2.gz RONJLENIJYDQNG-RUDRXDDOSA-N 0 3 379.460 3.731 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000755454769 1023257099 /nfs/dbraw/zinc/25/70/99/1023257099.db2.gz ZUQLZMDLZAWBTN-DTQAZKPQSA-N 0 3 395.459 3.594 20 5 GHBDHN CN1CCc2cc(OC3CCN(c4cccc(F)c4[N+](=O)[O-])CC3)ccc2C1 ZINC001228943010 1033192841 /nfs/dbraw/zinc/19/28/41/1033192841.db2.gz COEDHXXAQKLJTO-UHFFFAOYSA-N 0 3 385.439 3.770 20 5 GHBDHN COC(=O)c1c(O[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001229046547 1033247612 /nfs/dbraw/zinc/24/76/12/1033247612.db2.gz SZKAFRIGUFSNES-KXBFYZLASA-N 0 3 384.432 3.671 20 5 GHBDHN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3C(F)(F)F)cc2)CC1 ZINC001161974332 1025517412 /nfs/dbraw/zinc/51/74/12/1025517412.db2.gz CCRFKEBWFDRADD-UHFFFAOYSA-N 0 3 395.385 3.894 20 5 GHBDHN O=C(c1ccccc1)c1ccc(N2CCN[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001164190774 1026446166 /nfs/dbraw/zinc/44/61/66/1026446166.db2.gz MEGDEVXZJDOMQD-FQEVSTJZSA-N 0 3 387.439 3.977 20 5 GHBDHN C[C@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H](C)CN1Cc1ccccc1 ZINC001165202065 1026663414 /nfs/dbraw/zinc/66/34/14/1026663414.db2.gz RRTGVXDFYPUHCU-HOTGVXAUSA-N 0 3 377.448 3.637 20 5 GHBDHN CCOC(=O)c1cc(Nc2ccc(N3CCN(CC)CC3)cc2)cc([N+](=O)[O-])c1 ZINC001211371955 1027926610 /nfs/dbraw/zinc/92/66/10/1027926610.db2.gz VQDFJNOVVQWQSV-UHFFFAOYSA-N 0 3 398.463 3.657 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001217146908 1030196359 /nfs/dbraw/zinc/19/63/59/1030196359.db2.gz JLAJOZWSFAENBX-RDJZCZTQSA-N 0 3 398.463 3.951 20 5 GHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC001218705394 1031040621 /nfs/dbraw/zinc/04/06/21/1031040621.db2.gz YIQJMSLIDOZIFA-UHFFFAOYSA-N 0 3 380.832 3.745 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC001219316035 1031353177 /nfs/dbraw/zinc/35/31/77/1031353177.db2.gz VAKXJYLBZBGZIZ-SFHVURJKSA-N 0 3 398.463 3.952 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC001219317592 1031353764 /nfs/dbraw/zinc/35/37/64/1031353764.db2.gz GSVLSYGTWNIMAM-YJBOKZPZSA-N 0 3 398.463 3.778 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001225451339 1031422138 /nfs/dbraw/zinc/42/21/38/1031422138.db2.gz QPANASGRQPUNHG-LFUKPOHLSA-N 0 3 396.443 3.671 20 5 GHBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C[C@H]1N2C ZINC001225972998 1031724350 /nfs/dbraw/zinc/72/43/50/1031724350.db2.gz NVMPWFVTKQWNJV-VXSCBNMQSA-N 0 3 396.443 3.807 20 5 GHBDHN O=C(c1ccc2oc3ccccc3c(=O)c2c1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158339231 1034031199 /nfs/dbraw/zinc/03/11/99/1034031199.db2.gz LVMUTTGAJPECDW-LEWJYISDSA-N 0 3 396.446 3.658 20 5 GHBDHN C[C@@H](NC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001207526905 1034429730 /nfs/dbraw/zinc/42/97/30/1034429730.db2.gz MLFDATJXRWPJSW-DOMZBBRYSA-N 0 3 385.411 3.890 20 5 GHBDHN O=[N+]([O-])c1cc([O-])cc(Nc2ccc([C@@H](O)C[NH2+]CCc3ccccc3)cc2)c1 ZINC001160253445 1034918777 /nfs/dbraw/zinc/91/87/77/1034918777.db2.gz HVOIQLZJFDCRKA-QFIPXVFZSA-N 0 3 393.443 3.910 20 5 GHBDHN O=C1CC[C@H]2[C@H](CCN2Cc2ccc3ccc4cccnc4c3n2)N1CC1CC1 ZINC001232219379 1035168034 /nfs/dbraw/zinc/16/80/34/1035168034.db2.gz BPHMWRQPVTXKHE-SFTDATJTSA-N 0 3 386.499 3.758 20 5 GHBDHN CSc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC001161885270 1035321605 /nfs/dbraw/zinc/32/16/05/1035321605.db2.gz LSEZOBUSPPLIQE-ZDUSSCGKSA-N 0 3 393.900 3.837 20 5 GHBDHN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001278725482 1039683768 /nfs/dbraw/zinc/68/37/68/1039683768.db2.gz LUPGLTSSDYHNIT-JSGCOSHPSA-N 0 3 383.326 3.829 20 5 GHBDHN COc1c(O)cc(O[C@H]2CCCN(C(C)C)C2)c2c(=O)c3ccccc3n(C)c12 ZINC001234175582 1039909723 /nfs/dbraw/zinc/90/97/23/1039909723.db2.gz IKZADDWDMLVPQI-HNNXBMFYSA-N 0 3 396.487 3.658 20 5 GHBDHN COc1cc2c(cc1OC)CN(C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254482647 1040271486 /nfs/dbraw/zinc/27/14/86/1040271486.db2.gz KZWVPHMKQJPDHJ-UHFFFAOYSA-N 0 3 383.448 3.597 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N2Cc3ccccc3C2=O)CC1 ZINC001254567951 1040343211 /nfs/dbraw/zinc/34/32/11/1040343211.db2.gz DFOKXBCAECQNMQ-MRXNPFEDSA-N 0 3 379.460 3.646 20 5 GHBDHN COc1cc(N2CCC(N[C@@H](C)c3csc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC001256084700 1041515178 /nfs/dbraw/zinc/51/51/78/1041515178.db2.gz GDBOSEHNZVYQJI-LBPRGKRZSA-N 0 3 376.482 3.688 20 5 GHBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001278981638 1043783725 /nfs/dbraw/zinc/78/37/25/1043783725.db2.gz GKCMXMAQUSEULL-GOSISDBHSA-N 0 3 396.491 3.810 20 5 GHBDHN CCCN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Cl)cc1 ZINC001297667002 1045599957 /nfs/dbraw/zinc/59/99/57/1045599957.db2.gz QIQUUGSIXMENMI-SFHVURJKSA-N 0 3 390.871 3.643 20 5 GHBDHN COc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001263627859 1047004933 /nfs/dbraw/zinc/00/49/33/1047004933.db2.gz YYMUVBHXSUUNEI-INIZCTEOSA-N 0 3 398.463 3.732 20 5 GHBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001307502605 1049343817 /nfs/dbraw/zinc/34/38/17/1049343817.db2.gz ZFEODZWMQWKOQV-MSOLQXFVSA-N 0 3 396.491 3.518 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC001307755186 1049570052 /nfs/dbraw/zinc/57/00/52/1049570052.db2.gz YKYBDOGEGKPOJF-AFAVFJNCSA-N 0 3 395.887 3.903 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001308466690 1049982812 /nfs/dbraw/zinc/98/28/12/1049982812.db2.gz ZWWJHCGKFANCFD-GOSISDBHSA-N 0 3 389.883 3.860 20 5 GHBDHN CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001308484838 1049986981 /nfs/dbraw/zinc/98/69/81/1049986981.db2.gz VLSHUDYZOSPQFW-INIZCTEOSA-N 0 3 383.448 3.912 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001310529286 1051421782 /nfs/dbraw/zinc/42/17/82/1051421782.db2.gz PPJURSBBKIOGQG-GOSISDBHSA-N 0 3 382.464 3.998 20 5 GHBDHN Cc1c(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259129 1051973355 /nfs/dbraw/zinc/97/33/55/1051973355.db2.gz UHPJWLBURBJHDX-BJOHPYRUSA-N 0 3 386.374 3.526 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001313352694 1053028159 /nfs/dbraw/zinc/02/81/59/1053028159.db2.gz QHUNWFUPSUTSLT-GOSISDBHSA-N 0 3 398.507 3.780 20 5 GHBDHN Cc1ccc(CN2CCCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001317820799 1054267608 /nfs/dbraw/zinc/26/76/08/1054267608.db2.gz GHHAHDHTCRHEMN-XFXZXTDPSA-N 0 3 379.460 3.651 20 5 GHBDHN CN(C[C@@H]1CCCCN1Cc1ccccc1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001472867883 1056974928 /nfs/dbraw/zinc/97/49/28/1056974928.db2.gz NSHYTVKUHCLHMN-KRWDZBQOSA-N 0 3 384.436 3.994 20 5 GHBDHN C[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000848571836 1057187672 /nfs/dbraw/zinc/18/76/72/1057187672.db2.gz UPLWRKHWMRONAJ-GXTWGEPZSA-N 0 3 387.461 3.957 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001442268872 1058943085 /nfs/dbraw/zinc/94/30/85/1058943085.db2.gz YAPNYWTZGILNDJ-IUODEOHRSA-N 0 3 391.830 3.953 20 5 GHBDHN COc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC001346522650 1061649556 /nfs/dbraw/zinc/64/95/56/1061649556.db2.gz QYTPEZUEDSYZFD-GOSISDBHSA-N 0 3 384.436 3.562 20 5 GHBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001300155296 1065490257 /nfs/dbraw/zinc/49/02/57/1065490257.db2.gz LCYNVMGOARFXFI-UHFFFAOYSA-N 0 3 396.491 3.765 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC001466442026 1066156814 /nfs/dbraw/zinc/15/68/14/1066156814.db2.gz LCWGWTVVUNHBGX-SFHVURJKSA-N 0 3 386.452 3.645 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353856101 1066307388 /nfs/dbraw/zinc/30/73/88/1066307388.db2.gz KOYVIBLJLGCMMR-ZPMCFJSWSA-N 0 3 393.487 3.821 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC001357619676 1067198013 /nfs/dbraw/zinc/19/80/13/1067198013.db2.gz IIFYVGWHIPLYKW-NRFANRHFSA-N 0 3 378.428 3.791 20 5 GHBDHN CC[C@@](CNCc1ccc(Cl)cc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC001474576764 1067716493 /nfs/dbraw/zinc/71/64/93/1067716493.db2.gz UJSOCZQAGLUUNU-IBGZPJMESA-N 0 3 376.840 3.859 20 5 GHBDHN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460346437 1068935740 /nfs/dbraw/zinc/93/57/40/1068935740.db2.gz XSOKOINMCLGTRH-MOPGFXCFSA-N 0 3 386.448 3.655 20 5 GHBDHN C[C@@H]1CN(CCCCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC001472731134 1073640697 /nfs/dbraw/zinc/64/06/97/1073640697.db2.gz PWFQSUOWPDLGEJ-OKILXGFUSA-N 0 3 392.887 3.520 20 5 GHBDHN Cc1cc(N2CC(N(C)Cc3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472781354 1073663263 /nfs/dbraw/zinc/66/32/63/1073663263.db2.gz IRJAKYLQUSLIPP-UHFFFAOYSA-N 0 3 389.459 3.681 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@H]2COc3ccccc3O2)c1 ZINC001474184929 1074286110 /nfs/dbraw/zinc/28/61/10/1074286110.db2.gz ZHSVCMVLMRIZJV-AWEZNQCLSA-N 0 3 380.347 3.516 20 5 GHBDHN CCN(CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC001474439468 1074406768 /nfs/dbraw/zinc/40/67/68/1074406768.db2.gz WNQCOKMXFMBFIN-UHFFFAOYSA-N 0 3 387.324 3.978 20 5 GHBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001476325349 1075125473 /nfs/dbraw/zinc/12/54/73/1075125473.db2.gz QZWQEOGYTILNBB-AWEZNQCLSA-N 0 3 388.390 3.856 20 5 GHBDHN COc1ccc(CSCC(=O)Nc2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000583646350 834800590 /nfs/dbraw/zinc/80/05/90/834800590.db2.gz VAMWKIHFACAZPQ-UHFFFAOYSA-N 0 3 389.477 3.537 20 5 GHBDHN COc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000188005710 835327192 /nfs/dbraw/zinc/32/71/92/835327192.db2.gz YMIOZXWNDIPYMJ-INIZCTEOSA-N 0 3 397.475 3.648 20 5 GHBDHN CS(=O)(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCC1 ZINC000512993949 844071043 /nfs/dbraw/zinc/07/10/43/844071043.db2.gz VKFZPKXYYAOULX-UHFFFAOYSA-N 0 3 394.518 3.770 20 5 GHBDHN CN1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000179464124 835733410 /nfs/dbraw/zinc/73/34/10/835733410.db2.gz YIEZFOXKBACDGT-RBUKOAKNSA-N 0 3 382.464 3.575 20 5 GHBDHN CN1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000179488183 835740932 /nfs/dbraw/zinc/74/09/32/835740932.db2.gz NGLKEKRGPDMGHJ-SFTDATJTSA-N 0 3 394.475 3.714 20 5 GHBDHN COc1cc(CN2CCC[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563067207 836464030 /nfs/dbraw/zinc/46/40/30/836464030.db2.gz FBQLKYJBHDRSNU-OCCSQVGLSA-N 0 3 386.395 3.596 20 5 GHBDHN CC(C)(NC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000431683903 836773352 /nfs/dbraw/zinc/77/33/52/836773352.db2.gz DKNRGDDFALRLKJ-HXUWFJFHSA-N 0 3 396.491 3.794 20 5 GHBDHN CN(CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C ZINC000728930975 844209404 /nfs/dbraw/zinc/20/94/04/844209404.db2.gz XGAFYJJPIFUCEA-UHFFFAOYSA-N 0 3 393.484 3.553 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NCCc2nnc3n2CCCCC3)c2ccccc2)c1 ZINC000180052426 836913185 /nfs/dbraw/zinc/91/31/85/836913185.db2.gz LXFHWLMBPWFRSC-JOCHJYFZSA-N 0 3 391.475 3.834 20 5 GHBDHN COc1ccc(NC(=O)CCN(Cc2ccccc2F)C(C)C)c([N+](=O)[O-])c1 ZINC001167247588 837030413 /nfs/dbraw/zinc/03/04/13/837030413.db2.gz CBUBICBYDCXDDF-UHFFFAOYSA-N 0 3 389.427 3.982 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247196648 837207190 /nfs/dbraw/zinc/20/71/90/837207190.db2.gz BQOPIIJUEBCLMO-PXAZEXFGSA-N 0 3 377.441 3.608 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000023741377 838843279 /nfs/dbraw/zinc/84/32/79/838843279.db2.gz MMVMCTUXMVLDDX-IBGZPJMESA-N 0 3 385.489 3.884 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c1 ZINC000549295081 839875475 /nfs/dbraw/zinc/87/54/75/839875475.db2.gz SMDZLQOOCQZCMJ-QFIPXVFZSA-N 0 3 397.475 3.778 20 5 GHBDHN COc1cc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000511682881 840517678 /nfs/dbraw/zinc/51/76/78/840517678.db2.gz UJIQHFWPZMWULX-HXUWFJFHSA-N 0 3 397.475 3.806 20 5 GHBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467220981 840539963 /nfs/dbraw/zinc/53/99/63/840539963.db2.gz YOPZWVZTPQRSGH-AWEZNQCLSA-N 0 3 390.871 3.568 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(N3CCOCC3)c1)CCCC2 ZINC000417354406 840758261 /nfs/dbraw/zinc/75/82/61/840758261.db2.gz ZGBLJNXLXYSUCH-QFIPXVFZSA-N 0 3 381.476 3.989 20 5 GHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCC(=O)N(C)C1 ZINC000600178249 861194088 /nfs/dbraw/zinc/19/40/88/861194088.db2.gz IXIFDFMGDLPVRP-ZDUSSCGKSA-N 0 3 377.828 3.561 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccsc1 ZINC000053501749 841556334 /nfs/dbraw/zinc/55/63/34/841556334.db2.gz UWTLVHBRMCAMMW-SFHVURJKSA-N 0 3 386.477 3.951 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCN(CC(F)F)C3)o2)c(Cl)c1 ZINC000418142437 841561976 /nfs/dbraw/zinc/56/19/76/841561976.db2.gz YHDHVYPHKVDJEJ-LLVKDONJSA-N 0 3 385.798 3.937 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000477617872 842289816 /nfs/dbraw/zinc/28/98/16/842289816.db2.gz SULQNRHFJLAWIU-QGZVFWFLSA-N 0 3 375.856 3.898 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000581903994 842567909 /nfs/dbraw/zinc/56/79/09/842567909.db2.gz WCRAFOCACVVXDZ-SMDDNHRTSA-N 0 3 397.378 3.648 20 5 GHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000610582303 843095242 /nfs/dbraw/zinc/09/52/42/843095242.db2.gz DGZSUHSPYFQKBD-GOSISDBHSA-N 0 3 380.448 3.832 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CN3CCC(c4ncc5n4CCCC5)CC3)nc2c1 ZINC000278881877 843503333 /nfs/dbraw/zinc/50/33/33/843503333.db2.gz NEIHRZDEELGKEE-UHFFFAOYSA-N 0 3 381.436 3.648 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])o1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000109996732 845288348 /nfs/dbraw/zinc/28/83/48/845288348.db2.gz CBIWGLYZUXMQKL-UHFFFAOYSA-N 0 3 377.828 3.579 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000604012560 861573469 /nfs/dbraw/zinc/57/34/69/861573469.db2.gz PLQAOYBOBUFFOP-LJQANCHMSA-N 0 3 384.432 3.972 20 5 GHBDHN CC(C)O[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000463407243 845661917 /nfs/dbraw/zinc/66/19/17/845661917.db2.gz SPNICVVNTZWYEU-HFBAOOFYSA-N 0 3 383.876 3.757 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000543847299 845922514 /nfs/dbraw/zinc/92/25/14/845922514.db2.gz AAOIJJJKRCDMCK-UHFFFAOYSA-N 0 3 379.363 3.819 20 5 GHBDHN O=C(OCC1CCN(Cc2ccco2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842325669 861782010 /nfs/dbraw/zinc/78/20/10/861782010.db2.gz TUEKTDKDWAUCQX-VQTJNVASSA-N 0 3 384.432 3.747 20 5 GHBDHN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C1CCN(C)CC1 ZINC000413458125 847444365 /nfs/dbraw/zinc/44/43/65/847444365.db2.gz QOOHVDHMRCIRJU-UHFFFAOYSA-N 0 3 377.485 3.574 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CC(F)F)c1ccccc1 ZINC000421001526 847623976 /nfs/dbraw/zinc/62/39/76/847623976.db2.gz XGPWNPZDWMRVSC-HNNXBMFYSA-N 0 3 393.390 3.918 20 5 GHBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056889204 861826377 /nfs/dbraw/zinc/82/63/77/861826377.db2.gz HFGCFYOTVONZPG-OAHLLOKOSA-N 0 3 388.443 3.568 20 5 GHBDHN COc1ccc(C[C@H](C)N[C@H]2CCOc3cc(F)cc(F)c32)c([N+](=O)[O-])c1 ZINC001170312136 881342189 /nfs/dbraw/zinc/34/21/89/881342189.db2.gz CVKJRNQQSAAKIB-ZBEGNZNMSA-N 0 3 378.375 3.926 20 5 GHBDHN C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N(C)C ZINC001269734346 850782807 /nfs/dbraw/zinc/78/28/07/850782807.db2.gz BBXJTBJJFQEAKQ-JLTOFOAXSA-N 0 3 389.883 3.988 20 5 GHBDHN CN1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000425443237 851095417 /nfs/dbraw/zinc/09/54/17/851095417.db2.gz LIEUMRUULCNXPL-FUHWJXTLSA-N 0 3 390.281 3.892 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000042813734 851582875 /nfs/dbraw/zinc/58/28/75/851582875.db2.gz ZZVWFVSEJHZDLU-FQEVSTJZSA-N 0 3 382.464 3.573 20 5 GHBDHN CCN(CC)[C@H](CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000489186011 852100276 /nfs/dbraw/zinc/10/02/76/852100276.db2.gz RDFZYMSGFOZSMF-GOSISDBHSA-N 0 3 395.463 3.870 20 5 GHBDHN CNC(=O)[C@H](CCSC)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000489941378 852660396 /nfs/dbraw/zinc/66/03/96/852660396.db2.gz LHGIPXVBXJEGDJ-OCCSQVGLSA-N 0 3 393.534 3.842 20 5 GHBDHN COc1ccc(CN2CCC(OC)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506313724 852692586 /nfs/dbraw/zinc/69/25/86/852692586.db2.gz YBUKLYIFAZEEKA-UHFFFAOYSA-N 0 3 386.448 3.793 20 5 GHBDHN CC[C@@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000543886968 852701590 /nfs/dbraw/zinc/70/15/90/852701590.db2.gz XXVHPVFYZCOPQK-SFHVURJKSA-N 0 3 398.463 3.562 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000438952369 853124861 /nfs/dbraw/zinc/12/48/61/853124861.db2.gz XOVPPRYMSDCTNL-RHSMWYFYSA-N 0 3 387.867 3.807 20 5 GHBDHN COc1ccc(OCCN2CCC(COc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000441214929 854005617 /nfs/dbraw/zinc/00/56/17/854005617.db2.gz ZRRXEVWQIYSLBC-UHFFFAOYSA-N 0 3 386.448 3.773 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C[C@H](C)O1 ZINC000301549117 855237831 /nfs/dbraw/zinc/23/78/31/855237831.db2.gz LWDANFVJFNOGDZ-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H]2c3ccccc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC000473988234 855250952 /nfs/dbraw/zinc/25/09/52/855250952.db2.gz SQPVEOJNZZHPCG-SPLOXXLWSA-N 0 3 384.432 3.560 20 5 GHBDHN Cc1cc(N2CCCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590132567 855308388 /nfs/dbraw/zinc/30/83/88/855308388.db2.gz MTBYIKHVPVJSTJ-CQSZACIVSA-N 0 3 387.402 3.613 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000172710484 856557694 /nfs/dbraw/zinc/55/76/94/856557694.db2.gz YRZKNXQXHUSMKA-FQEVSTJZSA-N 0 3 385.464 3.725 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cc(Cl)c2c(c1)OCCO2 ZINC000507919030 856668101 /nfs/dbraw/zinc/66/81/01/856668101.db2.gz CRBVMVXEXISDIQ-UHFFFAOYSA-N 0 3 392.839 3.750 20 5 GHBDHN COc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000542957996 857181551 /nfs/dbraw/zinc/18/15/51/857181551.db2.gz WTWSDDJNWUBQMT-HNNXBMFYSA-N 0 3 390.465 3.624 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2ccsc2)CC1 ZINC000485908764 857201537 /nfs/dbraw/zinc/20/15/37/857201537.db2.gz SNMCVLXTGHALBR-UHFFFAOYSA-N 0 3 387.461 3.834 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000174042461 857202407 /nfs/dbraw/zinc/20/24/07/857202407.db2.gz VCCCLWIBFXAYHX-PBHICJAKSA-N 0 3 387.436 3.998 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000141694306 857270575 /nfs/dbraw/zinc/27/05/75/857270575.db2.gz FYPLENWMPOIFSA-HXUWFJFHSA-N 0 3 382.464 3.540 20 5 GHBDHN CN(C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301827794 858043090 /nfs/dbraw/zinc/04/30/90/858043090.db2.gz FWNMTIHIHIKLLD-CYBMUJFWSA-N 0 3 383.221 3.606 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC[C@H]([S@@](C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000594962653 858347629 /nfs/dbraw/zinc/34/76/29/858347629.db2.gz SIMBEBXWRAVVRC-SFZNITCESA-N 0 3 392.477 3.643 20 5 GHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593027818 858564895 /nfs/dbraw/zinc/56/48/95/858564895.db2.gz FPGYAQOYNSXIEK-NXEZZACHSA-N 0 3 398.284 3.882 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC3CCOCC3)o2)c(Cl)c1 ZINC000922933356 858865653 /nfs/dbraw/zinc/86/56/53/858865653.db2.gz LAHHGHRAALKWDX-UHFFFAOYSA-N 0 3 380.828 3.793 20 5 GHBDHN COc1ccc(C[C@@H](C)NCc2cn(Cc3cccc(F)c3)cn2)c([N+](=O)[O-])c1 ZINC001170325381 881361906 /nfs/dbraw/zinc/36/19/06/881361906.db2.gz UHYKPTUOPJLGJW-OAHLLOKOSA-N 0 3 398.438 3.708 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)ccn1 ZINC000856559749 881438313 /nfs/dbraw/zinc/43/83/13/881438313.db2.gz HWRBGOZJKNBCFR-SFHVURJKSA-N 0 3 390.509 3.545 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611212156 859646366 /nfs/dbraw/zinc/64/63/66/859646366.db2.gz VODSLUFAKLYMDV-FZKQIMNGSA-N 0 3 389.521 3.842 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCCN(C[C@@H]4CCCO4)CC3)o2)c1 ZINC000611254068 859664749 /nfs/dbraw/zinc/66/47/49/859664749.db2.gz MQVUEDVSLHNYIL-IBGZPJMESA-N 0 3 385.464 3.542 20 5 GHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765033052 859740691 /nfs/dbraw/zinc/74/06/91/859740691.db2.gz OBAMMEWKOJLUIC-FOIQADDNSA-N 0 3 375.469 3.989 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345743 881469417 /nfs/dbraw/zinc/46/94/17/881469417.db2.gz LKHMIKLGESYLAI-GDBMZVCRSA-N 0 3 378.469 3.588 20 5 GHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154298535 860053248 /nfs/dbraw/zinc/05/32/48/860053248.db2.gz XFKLKYVEJUIDCC-QGZVFWFLSA-N 0 3 390.443 3.537 20 5 GHBDHN O=[N+]([O-])c1sc(CNC[C@H](CCO)c2ccccc2)cc1Br ZINC000602550913 860126218 /nfs/dbraw/zinc/12/62/18/860126218.db2.gz FTHHNSRWIABQAB-LBPRGKRZSA-N 0 3 385.283 3.675 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1Br ZINC000602680483 860212788 /nfs/dbraw/zinc/21/27/88/860212788.db2.gz GQOLHETZYYJNBF-BXUZGUMPSA-N 0 3 398.282 3.824 20 5 GHBDHN CCCOc1ccc(O[C@H]2CCCC[C@H]2NCc2c([N+](=O)[O-])ncn2C)cc1 ZINC000484658272 860233802 /nfs/dbraw/zinc/23/38/02/860233802.db2.gz XBRYILWDEOTRCF-MJGOQNOKSA-N 0 3 388.468 3.597 20 5 GHBDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484752342 860322577 /nfs/dbraw/zinc/32/25/77/860322577.db2.gz NCKUXXQIQJAQSG-LJQANCHMSA-N 0 3 392.477 3.506 20 5 GHBDHN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000121181049 860392711 /nfs/dbraw/zinc/39/27/11/860392711.db2.gz WPYBZGHEUMJINC-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccc4c(c3[N+](=O)[O-])OCCCO4)n2)cc1 ZINC000904625808 860535341 /nfs/dbraw/zinc/53/53/41/860535341.db2.gz RIJPFUBQGBFPHN-UHFFFAOYSA-N 0 3 396.403 3.535 20 5 GHBDHN CN(C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000125824937 860791878 /nfs/dbraw/zinc/79/18/78/860791878.db2.gz KZVIIGXJNSIJKX-HNNXBMFYSA-N 0 3 394.378 3.621 20 5 GHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCOc1cccc([N+](=O)[O-])c1 ZINC000185646459 861118017 /nfs/dbraw/zinc/11/80/17/861118017.db2.gz ADADGZHNABMWTH-NSHDSACASA-N 0 3 386.374 3.700 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000444005705 863135228 /nfs/dbraw/zinc/13/52/28/863135228.db2.gz XVKDPWVETVTIBW-NSHDSACASA-N 0 3 388.773 3.606 20 5 GHBDHN CSc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000249112278 863144872 /nfs/dbraw/zinc/14/48/72/863144872.db2.gz CGUPRVJEROSHSK-WMLDXEAASA-N 0 3 385.489 3.567 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000439673921 863165109 /nfs/dbraw/zinc/16/51/09/863165109.db2.gz OJXYKMMQJCKURA-JCURWCKSSA-N 0 3 395.887 3.903 20 5 GHBDHN O=[N+]([O-])c1cnc(NCCCCN2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000522903270 863690041 /nfs/dbraw/zinc/69/00/41/863690041.db2.gz CXGKXIHYUPQTMI-UHFFFAOYSA-N 0 3 389.887 3.658 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2ccc(F)cc2)CC1 ZINC000192817922 863992565 /nfs/dbraw/zinc/99/25/65/863992565.db2.gz PEHAIYNFEFASAL-UHFFFAOYSA-N 0 3 399.422 3.860 20 5 GHBDHN Cc1c(CNCc2c(Cl)cccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000480479247 864703377 /nfs/dbraw/zinc/70/33/77/864703377.db2.gz HXNRSFIJIBURHL-UHFFFAOYSA-N 0 3 388.899 3.598 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1 ZINC000554875213 865075467 /nfs/dbraw/zinc/07/54/67/865075467.db2.gz VPJXEQWGTVYYBM-INIZCTEOSA-N 0 3 381.432 3.618 20 5 GHBDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736593254 865245989 /nfs/dbraw/zinc/24/59/89/865245989.db2.gz FBUSNMYTFWWDBA-PBHICJAKSA-N 0 3 381.411 3.828 20 5 GHBDHN COc1ccc(OC)c([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000121306183 865404150 /nfs/dbraw/zinc/40/41/50/865404150.db2.gz IHJKHCNNKLWFTH-AWEZNQCLSA-N 0 3 387.436 3.600 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H]3Cc4ccccc4O3)o2)c([N+](=O)[O-])c1 ZINC000608835706 865736826 /nfs/dbraw/zinc/73/68/26/865736826.db2.gz LWDYUQJALHGWEF-KRWDZBQOSA-N 0 3 380.400 3.957 20 5 GHBDHN C[C@@H](OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000920268865 882003949 /nfs/dbraw/zinc/00/39/49/882003949.db2.gz RHCKXCSKLIYHKM-MLGOLLRUSA-N 0 3 388.807 3.906 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000440494480 866997124 /nfs/dbraw/zinc/99/71/24/866997124.db2.gz MGBZMEXCPBATTD-CQSZACIVSA-N 0 3 396.369 3.574 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCCC2 ZINC000429776082 867320022 /nfs/dbraw/zinc/32/00/22/867320022.db2.gz RFFVSWBTNQMFBJ-IAGOWNOFSA-N 0 3 395.887 3.904 20 5 GHBDHN C[C@H](OC(=O)C1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000744066815 868583136 /nfs/dbraw/zinc/58/31/36/868583136.db2.gz WXDFJGFSUMLKEN-LRDDRELGSA-N 0 3 388.807 3.906 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000554014707 868624905 /nfs/dbraw/zinc/62/49/05/868624905.db2.gz FHYLURLUHSQOMF-LJQANCHMSA-N 0 3 389.427 3.554 20 5 GHBDHN CN1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000535361677 868625259 /nfs/dbraw/zinc/62/52/59/868625259.db2.gz FYEYJQAECNGCIH-NHCUHLMSSA-N 0 3 396.491 3.662 20 5 GHBDHN C[C@H]1C[C@@H](CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000491240482 868703835 /nfs/dbraw/zinc/70/38/35/868703835.db2.gz ZXAWUPHIGXDWNO-KBPBESRZSA-N 0 3 387.402 3.551 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000539599966 869406304 /nfs/dbraw/zinc/40/63/04/869406304.db2.gz NKTIPUYQMVXELS-AWEZNQCLSA-N 0 3 381.354 3.862 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCS[C@@H]4COCC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000539909999 870010333 /nfs/dbraw/zinc/01/03/33/870010333.db2.gz MHOJBMYKIDMDDE-QFBILLFUSA-N 0 3 390.461 3.570 20 5 GHBDHN CC(C)[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC001194193523 871549565 /nfs/dbraw/zinc/54/95/65/871549565.db2.gz USCQXTQTFJSQKX-OALUTQOASA-N 0 3 391.855 3.535 20 5 GHBDHN Cc1ccc(CNCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000069833355 871598426 /nfs/dbraw/zinc/59/84/26/871598426.db2.gz ALYLGPWCBNRUCV-HDICACEKSA-N 0 3 383.492 3.802 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462204238 871806794 /nfs/dbraw/zinc/80/67/94/871806794.db2.gz PZIWCHHPHNXQFC-ABSDTBQOSA-N 0 3 396.491 3.784 20 5 GHBDHN Cn1c(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc2cccc(Cl)c21 ZINC000447594425 871904622 /nfs/dbraw/zinc/90/46/22/871904622.db2.gz YTPMQLWGFXZHNT-ZFWWWQNUSA-N 0 3 388.859 3.605 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540864890 872348737 /nfs/dbraw/zinc/34/87/37/872348737.db2.gz WQUZOOMBZBIMSE-QGZVFWFLSA-N 0 3 393.447 3.638 20 5 GHBDHN COC(=O)C1CCN(CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000540898391 872427155 /nfs/dbraw/zinc/42/71/55/872427155.db2.gz WYIZPGFKELIFRW-UHFFFAOYSA-N 0 3 390.267 3.589 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000463971900 872997286 /nfs/dbraw/zinc/99/72/86/872997286.db2.gz VBGAGNBXWVMXNL-AEFFLSMTSA-N 0 3 382.464 3.996 20 5 GHBDHN C[C@H](c1ccc(F)cc1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363276 873046304 /nfs/dbraw/zinc/04/63/04/873046304.db2.gz NEOXRNUMQZFKHW-CQSZACIVSA-N 0 3 383.427 3.884 20 5 GHBDHN CC(C)CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000182967720 873060901 /nfs/dbraw/zinc/06/09/01/873060901.db2.gz HWVZMWKXJJZODJ-UHFFFAOYSA-N 0 3 399.944 3.919 20 5 GHBDHN CCc1oc2ccccc2c1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541283086 873304665 /nfs/dbraw/zinc/30/46/65/873304665.db2.gz YQBZDQAECZDONW-OAHLLOKOSA-N 0 3 384.432 3.775 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000541326438 873375571 /nfs/dbraw/zinc/37/55/71/873375571.db2.gz GPVPKDQIHUPABQ-OAHLLOKOSA-N 0 3 392.402 3.672 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000775771740 873757803 /nfs/dbraw/zinc/75/78/03/873757803.db2.gz BEXKQMDFRFMMRN-CQSZACIVSA-N 0 3 390.871 3.568 20 5 GHBDHN COc1ccc(OCCCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464770523 874432304 /nfs/dbraw/zinc/43/23/04/874432304.db2.gz BQFMBEBHKRJMOJ-UHFFFAOYSA-N 0 3 386.448 3.916 20 5 GHBDHN CSCC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000449069090 874445154 /nfs/dbraw/zinc/44/51/54/874445154.db2.gz VWJCAHSISRPUJM-ZBFHGGJFSA-N 0 3 385.493 3.653 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2Cc2ccc(O)cc2)c1 ZINC001198603682 874511727 /nfs/dbraw/zinc/51/17/27/874511727.db2.gz ARCSCCSRPGRNPO-GOSISDBHSA-N 0 3 384.432 3.684 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000449182783 874576495 /nfs/dbraw/zinc/57/64/95/874576495.db2.gz BCKRMWWMDUSNAV-NSHDSACASA-N 0 3 380.347 3.646 20 5 GHBDHN COc1cc(CNCC2(OC)CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449349672 874743716 /nfs/dbraw/zinc/74/37/16/874743716.db2.gz XNSQGLJWOKNHBH-UHFFFAOYSA-N 0 3 392.374 3.593 20 5 GHBDHN CC(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 ZINC000542254723 875258039 /nfs/dbraw/zinc/25/80/39/875258039.db2.gz UUAODCOLFRTXQG-HXUWFJFHSA-N 0 3 392.455 3.888 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000610128091 877440873 /nfs/dbraw/zinc/44/08/73/877440873.db2.gz ZKSYDTONGNKCAX-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN CN(C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000110069024 877792159 /nfs/dbraw/zinc/79/21/59/877792159.db2.gz PUXNHQNFYOBVSE-MRXNPFEDSA-N 0 3 393.484 3.553 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451402955 877923790 /nfs/dbraw/zinc/92/37/90/877923790.db2.gz CLSZMCUNQLAMBW-NEPJUHHUSA-N 0 3 389.374 3.595 20 5 GHBDHN CC(C)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccnn1C ZINC000615943511 878302187 /nfs/dbraw/zinc/30/21/87/878302187.db2.gz RMITYBAEVNRTHO-QGZVFWFLSA-N 0 3 385.493 3.981 20 5 GHBDHN COc1cc(CNCc2ccn(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531117574 879203707 /nfs/dbraw/zinc/20/37/07/879203707.db2.gz LZLBUPPFPRJDHF-UHFFFAOYSA-N 0 3 381.432 3.811 20 5 GHBDHN CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265966541 879610784 /nfs/dbraw/zinc/61/07/84/879610784.db2.gz VFVGCLOERKTCOT-CGTJXYLNSA-N 0 3 386.452 3.670 20 5 GHBDHN COc1ccc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)cc1[N+](=O)[O-] ZINC000237535271 879675431 /nfs/dbraw/zinc/67/54/31/879675431.db2.gz FQCWULNDJMOIBJ-UHFFFAOYSA-N 0 3 384.432 3.934 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000538606492 879797727 /nfs/dbraw/zinc/79/77/27/879797727.db2.gz VOWBFUPBXDPYOT-DOTOQJQBSA-N 0 3 397.566 3.605 20 5 GHBDHN C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000790993982 880123585 /nfs/dbraw/zinc/12/35/85/880123585.db2.gz NFSHXLILWLPOKP-BUXKBTBVSA-N 0 3 393.846 3.737 20 5 GHBDHN Cc1c([C@H](C)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000531978987 880860810 /nfs/dbraw/zinc/86/08/10/880860810.db2.gz RVFUDRAGXDWENO-SPEDKVCISA-N 0 3 383.492 3.843 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CN1C1CC1 ZINC000152984353 881286942 /nfs/dbraw/zinc/28/69/42/881286942.db2.gz HATXLMADIORIGG-KGLIPLIRSA-N 0 3 389.521 3.985 20 5 GHBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000609187782 881310662 /nfs/dbraw/zinc/31/06/62/881310662.db2.gz MWHRMGMCMJOQFF-UHFFFAOYSA-N 0 3 398.507 3.867 20 5 GHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442655 883193311 /nfs/dbraw/zinc/19/33/11/883193311.db2.gz QYPCVNNUQAOGGA-UHFFFAOYSA-N 0 3 389.452 3.578 20 5 GHBDHN COc1cc(CNC[C@H]2CCCS2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000152564454 884006292 /nfs/dbraw/zinc/00/62/92/884006292.db2.gz ZNUPNBGCYUKMCW-LLVKDONJSA-N 0 3 380.388 3.530 20 5 GHBDHN CC(C)(NC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000487838620 884481868 /nfs/dbraw/zinc/48/18/68/884481868.db2.gz OJEOCXBGIFMQSL-UHFFFAOYSA-N 0 3 396.491 3.578 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000537564394 885423710 /nfs/dbraw/zinc/42/37/10/885423710.db2.gz UPOYFGHBSXEUFF-KRWDZBQOSA-N 0 3 393.447 3.638 20 5 GHBDHN Cc1cc(COC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1[N+](=O)[O-] ZINC001127501219 885849352 /nfs/dbraw/zinc/84/93/52/885849352.db2.gz ULABNJMMYTZPRW-UHFFFAOYSA-N 0 3 397.475 3.791 20 5 GHBDHN Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000532517516 885918837 /nfs/dbraw/zinc/91/88/37/885918837.db2.gz KBTHZRWMTYHZJX-SVMVAKDDSA-N 0 3 383.492 3.843 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)CC1 ZINC000915829479 887656404 /nfs/dbraw/zinc/65/64/04/887656404.db2.gz ZREQATIPUUXLCH-UHFFFAOYSA-N 0 3 394.431 3.735 20 5 GHBDHN C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)Cc1ccccc1 ZINC000121889079 888340789 /nfs/dbraw/zinc/34/07/89/888340789.db2.gz NLODCSYKWADVJJ-QGZVFWFLSA-N 0 3 396.491 3.789 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCN(CC(F)(F)F)C1 ZINC000811474026 889659046 /nfs/dbraw/zinc/65/90/46/889659046.db2.gz CFNCZCYSKMJASO-SECBINFHSA-N 0 3 386.201 3.875 20 5 GHBDHN COc1ccc2ncc([N+](=O)[O-])c(N[C@H]3CCCN(Cc4ccccc4)C3)c2c1 ZINC001184803567 913414537 /nfs/dbraw/zinc/41/45/37/913414537.db2.gz WXGLHEZLDBSNEH-KRWDZBQOSA-N 0 3 392.459 3.650 20 5 GHBDHN COc1ccc(CNC(C)(C)COc2ncccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000533315326 890292442 /nfs/dbraw/zinc/29/24/42/890292442.db2.gz GENCJVKYGBFMMP-UHFFFAOYSA-N 0 3 399.369 3.964 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H](C)[C@H](O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000533466146 890623949 /nfs/dbraw/zinc/62/39/49/890623949.db2.gz PTCGQLUBDMUKFT-YCRPNKLZSA-N 0 3 396.443 3.945 20 5 GHBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170685860 890917654 /nfs/dbraw/zinc/91/76/54/890917654.db2.gz IBJIWQGYSAIEHB-ZDUSSCGKSA-N 0 3 380.404 3.562 20 5 GHBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000497884285 892657611 /nfs/dbraw/zinc/65/76/11/892657611.db2.gz PFFBGAMWLIOTSQ-UHFFFAOYSA-N 0 3 395.381 3.818 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000194544072 893003804 /nfs/dbraw/zinc/00/38/04/893003804.db2.gz PLULSNBISWKVRI-UHFFFAOYSA-N 0 3 381.476 3.684 20 5 GHBDHN COc1cc(CN2CCC[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563067205 893334768 /nfs/dbraw/zinc/33/47/68/893334768.db2.gz FBQLKYJBHDRSNU-GXTWGEPZSA-N 0 3 386.395 3.596 20 5 GHBDHN COC[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1 ZINC000537175714 894497763 /nfs/dbraw/zinc/49/77/63/894497763.db2.gz XNRJKHBMEPADKG-SFHVURJKSA-N 0 3 385.395 3.909 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000537299513 894728143 /nfs/dbraw/zinc/72/81/43/894728143.db2.gz GMSKLAXVEJSDCG-IEBWSBKVSA-N 0 3 397.475 3.624 20 5 GHBDHN Cc1c(NC(=O)CCN[C@@H](C)c2ccc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000880101311 895514391 /nfs/dbraw/zinc/51/43/91/895514391.db2.gz FPWIIBFPUMBEMQ-LBPRGKRZSA-N 0 3 396.369 3.996 20 5 GHBDHN C[C@@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000565307923 895521721 /nfs/dbraw/zinc/52/17/21/895521721.db2.gz OZJMKYQNKVYJHQ-VFNWGFHPSA-N 0 3 385.439 3.618 20 5 GHBDHN CN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(C)(C)CN1CCCC1 ZINC000565528461 895703876 /nfs/dbraw/zinc/70/38/76/895703876.db2.gz ZFKVJYIOUCWOBH-UHFFFAOYSA-N 0 3 377.488 3.628 20 5 GHBDHN Cc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000819147614 896403496 /nfs/dbraw/zinc/40/34/96/896403496.db2.gz TVSBLCLJVZHQNW-MRXNPFEDSA-N 0 3 384.354 3.668 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@H]1CCOC1)c1ccccc1 ZINC000042183430 897256890 /nfs/dbraw/zinc/25/68/90/897256890.db2.gz ZCOYGQWZAYXFPN-FZKQIMNGSA-N 0 3 389.839 3.554 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000289824317 914366277 /nfs/dbraw/zinc/36/62/77/914366277.db2.gz OFOSXLPVHIPSMP-SFHVURJKSA-N 0 3 385.395 3.788 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H](n4cc(Cl)cn4)C3)o2)c1 ZINC000289843592 914376939 /nfs/dbraw/zinc/37/69/39/914376939.db2.gz KGSZIUILOYJAOL-INIZCTEOSA-N 0 3 387.827 3.589 20 5 GHBDHN Cc1cc(Cl)c(C(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000825437846 900162777 /nfs/dbraw/zinc/16/27/77/900162777.db2.gz LJRRHSSOYLHIFS-UHFFFAOYSA-N 0 3 387.867 3.735 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)nc2c1 ZINC000572385029 900164320 /nfs/dbraw/zinc/16/43/20/900164320.db2.gz BBNGLMUUGQRVEY-FUHWJXTLSA-N 0 3 388.374 3.839 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000137078614 900778930 /nfs/dbraw/zinc/77/89/30/900778930.db2.gz FGXCNZCABKTGSC-MAUKXSAKSA-N 0 3 387.505 3.843 20 5 GHBDHN C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000290049176 914497613 /nfs/dbraw/zinc/49/76/13/914497613.db2.gz DHFUPMJBQQBLKD-FOIQADDNSA-N 0 3 395.459 3.606 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000576507156 902065271 /nfs/dbraw/zinc/06/52/71/902065271.db2.gz XOBVZURACTZGNE-IEBWSBKVSA-N 0 3 375.856 3.792 20 5 GHBDHN CCOc1ccccc1OCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873238 902476729 /nfs/dbraw/zinc/47/67/29/902476729.db2.gz SGOXLENCKRUNEN-ORAYPTAESA-N 0 3 377.368 3.553 20 5 GHBDHN COc1ccc(C(=O)CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874989 902479630 /nfs/dbraw/zinc/47/96/30/902479630.db2.gz JLLIDKSOVXWCJY-ZUOKHONESA-N 0 3 389.379 3.747 20 5 GHBDHN CC([C@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1F)[N+](=O)[O-] ZINC000845875156 902479678 /nfs/dbraw/zinc/47/96/78/902479678.db2.gz KJJKJABHQVBLFW-YVLXSGLVSA-N 0 3 380.397 3.697 20 5 GHBDHN CC([C@H](OC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845876717 902480669 /nfs/dbraw/zinc/48/06/69/902480669.db2.gz OAMUSMVFTWLPHZ-XIKOKIGWSA-N 0 3 391.399 3.749 20 5 GHBDHN Cc1c([C@@H](C)NCCCS(=O)(=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000127446380 902483054 /nfs/dbraw/zinc/48/30/54/902483054.db2.gz OJORZABZKOHNJF-MRXNPFEDSA-N 0 3 376.478 3.559 20 5 GHBDHN CO[C@H](C)c1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845878929 902483746 /nfs/dbraw/zinc/48/37/46/902483746.db2.gz UHUBCXQZGSIISD-JTNHKYCSSA-N 0 3 382.413 3.861 20 5 GHBDHN CC([C@@H](OC(=O)C[C@@H](C)NC(=O)C1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845880162 902484099 /nfs/dbraw/zinc/48/40/99/902484099.db2.gz YXNNPZLFYPPXKP-BIENJYKASA-N 0 3 394.443 3.550 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC3(CCN3Cc3ccccc3)C1)CC2 ZINC001172912488 905927534 /nfs/dbraw/zinc/92/75/34/905927534.db2.gz AZCCBSOCESCCEM-NRFANRHFSA-N 0 3 377.488 3.803 20 5 GHBDHN COc1ccc(CN2CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172915228 905986733 /nfs/dbraw/zinc/98/67/33/905986733.db2.gz MLDCCVUGELZPQS-OAQYLSRUSA-N 0 3 395.503 3.669 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cc(Cl)c([O-])c(OC)c2)c1F ZINC001173182695 906264253 /nfs/dbraw/zinc/26/42/53/906264253.db2.gz KHJBNDYTRKGJOB-SNVBAGLBSA-N 0 3 398.818 3.831 20 5 GHBDHN CCOC(=O)C[C@@H]1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC001173191253 906273878 /nfs/dbraw/zinc/27/38/78/906273878.db2.gz BZYGLBHKLZPDLU-ILXRZTDVSA-N 0 3 396.459 3.585 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001173234451 906322237 /nfs/dbraw/zinc/32/22/37/906322237.db2.gz RQXWPGZHLMDAJI-BFYDXBDKSA-N 0 3 377.485 3.903 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181208930 906944931 /nfs/dbraw/zinc/94/49/31/906944931.db2.gz LIPYGKQQWQKOTB-OXQOHEQNSA-N 0 3 383.448 3.599 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001178824041 909248127 /nfs/dbraw/zinc/24/81/27/909248127.db2.gz QGFUFHOJFQXFFF-DZFIZOCASA-N 0 3 399.447 3.810 20 5 GHBDHN CCO[C@H]1C[C@H](NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC001179094765 909382609 /nfs/dbraw/zinc/38/26/09/909382609.db2.gz BTEKFDOKTKPQIL-IYARVYRRSA-N 0 3 386.448 3.840 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795237110 909401675 /nfs/dbraw/zinc/40/16/75/909401675.db2.gz RGZDRHWLJWIXNF-UHFFFAOYSA-N 0 3 386.408 3.665 20 5 GHBDHN C[C@@]1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCO[C@@H]1C1CC1 ZINC001180593919 910260906 /nfs/dbraw/zinc/26/09/06/910260906.db2.gz PZFMIKDCLNJXKR-OCCSQVGLSA-N 0 3 375.288 3.714 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(Br)cc2F)n1 ZINC000774182776 911501690 /nfs/dbraw/zinc/50/16/90/911501690.db2.gz JEAACBSBPBTDDA-CABCVRRESA-N 0 3 397.248 3.966 20 5 GHBDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000775428242 917705765 /nfs/dbraw/zinc/70/57/65/917705765.db2.gz CGOJONUZARTJJA-ZDUSSCGKSA-N 0 3 399.838 3.723 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC[C@H]3CCCO3)o2)c(Cl)c1 ZINC000115625525 919461521 /nfs/dbraw/zinc/46/15/21/919461521.db2.gz QICITXXNSDZDPL-OAHLLOKOSA-N 0 3 380.828 3.793 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000800893580 920574657 /nfs/dbraw/zinc/57/46/57/920574657.db2.gz QSHPZGIFCUTKQI-INIZCTEOSA-N 0 3 381.448 3.859 20 5 GHBDHN C[NH+](C)C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000802382939 922064962 /nfs/dbraw/zinc/06/49/62/922064962.db2.gz YISIHAPCUSOUFR-INIZCTEOSA-N 0 3 397.809 3.759 20 5 GHBDHN COC(=O)N1CCC[C@@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000726607333 926760041 /nfs/dbraw/zinc/76/00/41/926760041.db2.gz LCWMMXFRDIWKOV-QGZVFWFLSA-N 0 3 398.463 3.683 20 5 GHBDHN CSc1ccccc1OC[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000411982139 926964645 /nfs/dbraw/zinc/96/46/45/926964645.db2.gz JLPDOGMCGMKLOT-GOSISDBHSA-N 0 3 390.505 3.967 20 5 GHBDHN COc1ccc(CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c(OC)c1 ZINC000750090627 927429952 /nfs/dbraw/zinc/42/99/52/927429952.db2.gz DOELMDIKBVBHDS-LJQANCHMSA-N 0 3 388.464 3.946 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000544611105 929343592 /nfs/dbraw/zinc/34/35/92/929343592.db2.gz IYXLIBJZJQQAER-OAHLLOKOSA-N 0 3 387.402 3.526 20 5 GHBDHN O=C(CCN1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000469451818 929904116 /nfs/dbraw/zinc/90/41/16/929904116.db2.gz GBZGXVWCEFZKNL-CYBMUJFWSA-N 0 3 375.375 3.691 20 5 GHBDHN CCNc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000470818110 930936962 /nfs/dbraw/zinc/93/69/62/930936962.db2.gz YNUUADOYZNCEQM-LJQANCHMSA-N 0 3 396.491 3.763 20 5 GHBDHN Cc1ccc([C@@H]2C[C@H](C)N(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000782957604 931375451 /nfs/dbraw/zinc/37/54/51/931375451.db2.gz XQKOQXPETSLVAW-QFBILLFUSA-N 0 3 377.448 3.997 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000561265865 934002894 /nfs/dbraw/zinc/00/28/94/934002894.db2.gz HXXXFAOSECIZCB-UHFFFAOYSA-N 0 3 387.402 3.952 20 5 GHBDHN CC(C)(C)c1ccc(Oc2ccc(CNCCOCCO)cc2[N+](=O)[O-])cc1 ZINC001461000712 1069328279 /nfs/dbraw/zinc/32/82/79/1069328279.db2.gz PMKWSRGQTFYCOM-UHFFFAOYSA-N 0 3 388.464 3.783 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545828505 1016467722 /nfs/dbraw/zinc/46/77/22/1016467722.db2.gz YAMKYKLJNKPHBU-RDJZCZTQSA-N 0 3 399.466 3.963 20 5 GHBDHN CCc1cc(-n2c3ccccc3nc2[C@@H](C)N)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155257226 1032473200 /nfs/dbraw/zinc/47/32/00/1032473200.db2.gz COWBUDQLBBYANH-CYBMUJFWSA-N 0 3 388.431 3.973 20 5 GHBDHN COc1ccc(CN2CCCC[C@@H]2CN(C)c2nccc(C)c2[N+](=O)[O-])cc1 ZINC001156292996 1032963129 /nfs/dbraw/zinc/96/31/29/1032963129.db2.gz BWPRTVMXLGSALL-GOSISDBHSA-N 0 3 384.480 3.798 20 5 GHBDHN CCCN(C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001140390198 1021547838 /nfs/dbraw/zinc/54/78/38/1021547838.db2.gz GKTUXXANXVCDJO-SFHVURJKSA-N 0 3 390.871 3.643 20 5 GHBDHN COc1cc(C)nc(N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001156341717 1032994407 /nfs/dbraw/zinc/99/44/07/1032994407.db2.gz NLARADYGEQIZTQ-YJBOKZPZSA-N 0 3 384.480 3.654 20 5 GHBDHN Cc1cc2[nH]c(O[C@H]3CCCN([C@@H](C)c4ccccn4)C3)nc2cc1[N+](=O)[O-] ZINC001228674180 1033037441 /nfs/dbraw/zinc/03/74/41/1033037441.db2.gz INQSZQHIGSFFAM-GJZGRUSLSA-N 0 3 381.436 3.779 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000754361279 1022640363 /nfs/dbraw/zinc/64/03/63/1022640363.db2.gz RONJLENIJYDQNG-PVGBUVFQSA-N 0 3 379.460 3.731 20 5 GHBDHN CCN1C[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156828537 1033262959 /nfs/dbraw/zinc/26/29/59/1033262959.db2.gz QVMJAFOCNSJNBM-FQEVSTJZSA-N 0 3 396.491 3.667 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]4CC5(CC[C@@H]43)OCCO5)co2)cc1 ZINC000832054475 1025187561 /nfs/dbraw/zinc/18/75/61/1025187561.db2.gz NGMQAWBWFYSAMA-APWZRJJASA-N 0 3 399.447 3.757 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])N(C)C)cc1 ZINC001163419710 1026187035 /nfs/dbraw/zinc/18/70/35/1026187035.db2.gz PAUWRUNQRAFFMQ-HNNXBMFYSA-N 0 3 389.481 3.806 20 5 GHBDHN COc1cc(CN[C@@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461815222 1069765400 /nfs/dbraw/zinc/76/54/00/1069765400.db2.gz UZFMLGFXZMGOOC-RBUKOAKNSA-N 0 3 398.459 3.697 20 5 GHBDHN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC1CCN(C(C)C)CC1 ZINC001229232740 1033357239 /nfs/dbraw/zinc/35/72/39/1033357239.db2.gz MLAYNGNNBRANOY-UHFFFAOYSA-N 0 3 385.258 3.812 20 5 GHBDHN C[C@H](N)c1ccn(-c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])n1 ZINC001158349487 1034038206 /nfs/dbraw/zinc/03/82/06/1034038206.db2.gz CFJMKHDRPPDNHS-VIFPVBQESA-N 0 3 377.763 3.780 20 5 GHBDHN Cc1nc(Cl)nc(N(Cc2ccc(F)cc2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC001158446614 1034080411 /nfs/dbraw/zinc/08/04/11/1034080411.db2.gz XAHHPYKGHLRTLE-UHFFFAOYSA-N 0 3 393.850 3.587 20 5 GHBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]1N2C ZINC001230941541 1034300461 /nfs/dbraw/zinc/30/04/61/1034300461.db2.gz URWXTNYQSBEXMG-VXSCBNMQSA-N 0 3 396.443 3.807 20 5 GHBDHN NCc1cc(-c2ccncc2)nn1-c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001160338385 1034944583 /nfs/dbraw/zinc/94/45/83/1034944583.db2.gz ZVDDEEVTSCLNHU-UHFFFAOYSA-N 0 3 380.795 3.503 20 5 GHBDHN COc1cc(O[C@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)ccn1 ZINC001232227039 1035172168 /nfs/dbraw/zinc/17/21/68/1035172168.db2.gz FCUQMFUHSBYXJC-FQEVSTJZSA-N 0 3 386.455 3.840 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCN[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810335 1037644929 /nfs/dbraw/zinc/64/49/29/1037644929.db2.gz KNFXOHKMUYEING-AUUYWEPGSA-N 0 3 389.883 3.834 20 5 GHBDHN Cc1ccccc1N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476601 1040262131 /nfs/dbraw/zinc/26/21/31/1040262131.db2.gz SYXPEORZJAZFPU-UHFFFAOYSA-N 0 3 380.492 3.694 20 5 GHBDHN Cc1ccc(CN2CCN(C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 ZINC001254479248 1040265659 /nfs/dbraw/zinc/26/56/59/1040265659.db2.gz UREMTHXZTUPCSI-UHFFFAOYSA-N 0 3 394.519 3.690 20 5 GHBDHN Cc1ccn2cc(CN(C)C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 ZINC001254483688 1040271546 /nfs/dbraw/zinc/27/15/46/1040271546.db2.gz WLBCPUKWRUYNFS-UHFFFAOYSA-N 0 3 379.464 3.652 20 5 GHBDHN COc1cc(NC(=O)CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc2ccccc21 ZINC001254548082 1040315419 /nfs/dbraw/zinc/31/54/19/1040315419.db2.gz GIWVSFROYHWCNM-HNNXBMFYSA-N 0 3 393.443 3.916 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(n2cc(Br)cn2)CC1 ZINC001254571648 1040348098 /nfs/dbraw/zinc/34/80/98/1040348098.db2.gz ZRQYZPQEXPKHPZ-ZDUSSCGKSA-N 0 3 393.285 3.822 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC2(CCN2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254595763 1040369362 /nfs/dbraw/zinc/36/93/62/1040369362.db2.gz ZMCAGPMPSWOCIK-SFHVURJKSA-N 0 3 387.480 3.537 20 5 GHBDHN COc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001263627860 1047004466 /nfs/dbraw/zinc/00/44/66/1047004466.db2.gz YYMUVBHXSUUNEI-MRXNPFEDSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc(OCCN2CCN(Cc3ccccc3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001307460560 1049295635 /nfs/dbraw/zinc/29/56/35/1049295635.db2.gz SBEMKQOZPAVYOE-UHFFFAOYSA-N 0 3 399.491 3.579 20 5 GHBDHN CCCCO[C@@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001307759455 1049573593 /nfs/dbraw/zinc/57/35/93/1049573593.db2.gz ZJGUQKDMBXWWND-JKSUJKDBSA-N 0 3 383.876 3.760 20 5 GHBDHN CN1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC001307779413 1049585978 /nfs/dbraw/zinc/58/59/78/1049585978.db2.gz LNKAHMBGKPOKIS-UHFFFAOYSA-N 0 3 382.302 3.808 20 5 GHBDHN O=[N+]([O-])c1cccc(CCNCc2ccccc2I)c1 ZINC001308356456 1049956893 /nfs/dbraw/zinc/95/68/93/1049956893.db2.gz FTNXMLJAJMHENU-UHFFFAOYSA-N 0 3 382.201 3.532 20 5 GHBDHN Cc1c(CN[C@H]2COc3cccc(Br)c3C2)cccc1[N+](=O)[O-] ZINC001308500660 1049991511 /nfs/dbraw/zinc/99/15/11/1049991511.db2.gz PDAJRFZWFQAWEB-CYBMUJFWSA-N 0 3 377.238 3.759 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001310261505 1051255495 /nfs/dbraw/zinc/25/54/95/1051255495.db2.gz JHDKEDINGAUHAI-DYVFJYSZSA-N 0 3 388.855 3.890 20 5 GHBDHN C[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001312253731 1052662385 /nfs/dbraw/zinc/66/23/85/1052662385.db2.gz LWLUVPHXNALMJC-ZIFCJYIRSA-N 0 3 396.491 3.661 20 5 GHBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001318056704 1054378346 /nfs/dbraw/zinc/37/83/46/1054378346.db2.gz OWGXUJYXZROWFU-FQEVSTJZSA-N 0 3 382.464 3.512 20 5 GHBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001326280507 1057446616 /nfs/dbraw/zinc/44/66/16/1057446616.db2.gz PWRMOXNXGJLBLY-IAGOWNOFSA-N 0 3 388.395 3.958 20 5 GHBDHN O=C(NCCCN1CCc2ccccc2C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001441291003 1058743444 /nfs/dbraw/zinc/74/34/44/1058743444.db2.gz BMVWHQXXZHWQEG-UHFFFAOYSA-N 0 3 391.830 3.566 20 5 GHBDHN COc1cc(C(=O)NCCN2CCC3(CCCCC3)CC2)cc([N+](=O)[O-])c1C ZINC001457775802 1063357218 /nfs/dbraw/zinc/35/72/18/1063357218.db2.gz WQKOMHGXRVFDOH-UHFFFAOYSA-N 0 3 389.496 3.688 20 5 GHBDHN O=C(NCCNC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC001458032914 1063515948 /nfs/dbraw/zinc/51/59/48/1063515948.db2.gz FSCPOJAATNBALK-UHFFFAOYSA-N 0 3 381.457 3.765 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(OCC(F)(F)F)o1)c1ccccc1F)[N+](=O)[O-] ZINC000847737210 1065995902 /nfs/dbraw/zinc/99/59/02/1065995902.db2.gz LXECPNGFUOKQCJ-LKFCYVNXSA-N 0 3 391.273 3.923 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)COc3ccc4cc[nH]c4c3)C2)cc1 ZINC001460134802 1068803500 /nfs/dbraw/zinc/80/35/00/1068803500.db2.gz YNOJBDDBUYONNL-AZUAARDMSA-N 0 3 395.459 3.695 20 5 GHBDHN Cc1ccc(CN2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001460693411 1069091689 /nfs/dbraw/zinc/09/16/89/1069091689.db2.gz LPXWQOYZJTXBIP-WMZHIEFXSA-N 0 3 395.503 3.769 20 5 GHBDHN Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC001471243257 1072980847 /nfs/dbraw/zinc/98/08/47/1072980847.db2.gz PYGSHOVQTAWHNZ-SFHVURJKSA-N 0 3 385.439 3.571 20 5 GHBDHN C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001471326913 1073020003 /nfs/dbraw/zinc/02/00/03/1073020003.db2.gz LZJMLYZHPLESKM-MSOLQXFVSA-N 0 3 396.491 3.962 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](c1cccc(F)c1)N(C)C ZINC001472634331 1073587921 /nfs/dbraw/zinc/58/79/21/1073587921.db2.gz BMMROZFCKBEDAZ-SFHVURJKSA-N 0 3 375.400 3.544 20 5 GHBDHN CC[C@H](c1ccccc1)N1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001472708607 1073628762 /nfs/dbraw/zinc/62/87/62/1073628762.db2.gz YSLIDOWTQNFRQS-LJQANCHMSA-N 0 3 397.475 3.584 20 5 GHBDHN C[C@@](CO)(NCCOc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001473714145 1074103044 /nfs/dbraw/zinc/10/30/44/1074103044.db2.gz MITGMEWNOFWHFQ-KRWDZBQOSA-N 0 3 385.247 3.778 20 5 GHBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2COc3cc(F)c(Br)cc32)cc1 ZINC001474473111 1074422540 /nfs/dbraw/zinc/42/25/40/1074422540.db2.gz XZWASPPGMMDWQL-OAHLLOKOSA-N 0 3 381.201 3.762 20 5 GHBDHN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824545505 607816787 /nfs/dbraw/zinc/81/67/87/607816787.db2.gz CUJYZCCSNMRIBJ-YJLNNSPDSA-N 0 3 392.463 3.837 20 5 GHBDHN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824545505 607816788 /nfs/dbraw/zinc/81/67/88/607816788.db2.gz CUJYZCCSNMRIBJ-YJLNNSPDSA-N 0 3 392.463 3.837 20 5 GHBDHN CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419134 608549463 /nfs/dbraw/zinc/54/94/63/608549463.db2.gz IDEVHXYQPOTAJW-DDJMYBDESA-N 0 3 378.436 3.871 20 5 GHBDHN CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419134 608549464 /nfs/dbraw/zinc/54/94/64/608549464.db2.gz IDEVHXYQPOTAJW-DDJMYBDESA-N 0 3 378.436 3.871 20 5 GHBDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180649810 837421910 /nfs/dbraw/zinc/42/19/10/837421910.db2.gz MHYGTIWNVGKMQS-JXFKEZNVSA-N 0 3 396.447 3.534 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000176723436 837725342 /nfs/dbraw/zinc/72/53/42/837725342.db2.gz QXUMLWWXBYYCOQ-SFHVURJKSA-N 0 3 396.491 3.882 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000120248282 834982623 /nfs/dbraw/zinc/98/26/23/834982623.db2.gz MOPCFNVQGIZCHW-UHFFFAOYSA-N 0 3 388.443 3.946 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H](O)c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000102420758 835370832 /nfs/dbraw/zinc/37/08/32/835370832.db2.gz XMUBIQYSTZZWKZ-IBGZPJMESA-N 0 3 386.379 3.826 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N(C)C)cc1 ZINC000065841387 836032249 /nfs/dbraw/zinc/03/22/49/836032249.db2.gz PGPRYOWKMAADAG-NRFANRHFSA-N 0 3 394.475 3.531 20 5 GHBDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000062374547 836136509 /nfs/dbraw/zinc/13/65/09/836136509.db2.gz CAHPCHBXPHWQNV-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000175371859 836301446 /nfs/dbraw/zinc/30/14/46/836301446.db2.gz VFEHOAVMZVKUDK-WZQKQDCOSA-N 0 3 376.478 3.794 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000174123888 836384441 /nfs/dbraw/zinc/38/44/41/836384441.db2.gz BZGGWZIGQUOIPV-INIZCTEOSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc(F)cc1[C@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179932088 836385436 /nfs/dbraw/zinc/38/54/36/836385436.db2.gz OUNYCFWJPODSMP-ZDUSSCGKSA-N 0 3 375.400 3.730 20 5 GHBDHN COc1ccc(F)cc1[C@H](C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000179949092 836439418 /nfs/dbraw/zinc/43/94/18/836439418.db2.gz YTUYLCSJTVXGBT-ZDUSSCGKSA-N 0 3 375.400 3.730 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246956978 836487969 /nfs/dbraw/zinc/48/79/69/836487969.db2.gz AXMOHDBJHCRNSQ-HIFRSBDPSA-N 0 3 387.402 3.779 20 5 GHBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000612825423 836821904 /nfs/dbraw/zinc/82/19/04/836821904.db2.gz VYOJCWDHRRPZCA-GOSISDBHSA-N 0 3 380.448 3.832 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247196663 837207251 /nfs/dbraw/zinc/20/72/51/837207251.db2.gz BQOPIIJUEBCLMO-SJCJKPOMSA-N 0 3 377.441 3.608 20 5 GHBDHN C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccccc1[N+](=O)[O-] ZINC000180413541 837238382 /nfs/dbraw/zinc/23/83/82/837238382.db2.gz VAOCJHSZCBZRTH-CQSZACIVSA-N 0 3 375.856 3.775 20 5 GHBDHN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000580216912 837305751 /nfs/dbraw/zinc/30/57/51/837305751.db2.gz MEKHTOAOKUNVDE-LJQANCHMSA-N 0 3 383.448 3.591 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(OC(C)(C)C)nc1 ZINC000181349794 837981374 /nfs/dbraw/zinc/98/13/74/837981374.db2.gz CVGNKKNBMQADQB-CQSZACIVSA-N 0 3 386.452 3.674 20 5 GHBDHN COc1cc(CN2CCC(OC)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000271049387 838146332 /nfs/dbraw/zinc/14/63/32/838146332.db2.gz USUUIDHJYWBFRT-UHFFFAOYSA-N 0 3 386.448 3.793 20 5 GHBDHN COc1ccc([C@H](NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000102693075 838185274 /nfs/dbraw/zinc/18/52/74/838185274.db2.gz FZDIXKIBYGLZJC-HXUWFJFHSA-N 0 3 387.436 3.537 20 5 GHBDHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc2ccccc21 ZINC000102690839 838185298 /nfs/dbraw/zinc/18/52/98/838185298.db2.gz DGSVRGQDENDRSS-ZDUSSCGKSA-N 0 3 393.399 3.766 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000573967027 844315428 /nfs/dbraw/zinc/31/54/28/844315428.db2.gz BDJJDCUFXAAXCI-LJQANCHMSA-N 0 3 386.452 3.590 20 5 GHBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000134083883 838459897 /nfs/dbraw/zinc/45/98/97/838459897.db2.gz YKZMCFHBCSAFRX-UHFFFAOYSA-N 0 3 377.510 3.797 20 5 GHBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCCC1 ZINC000535716713 844353120 /nfs/dbraw/zinc/35/31/20/844353120.db2.gz WWDGBSPCCVGMQQ-OAHLLOKOSA-N 0 3 385.489 3.960 20 5 GHBDHN CC(C)(NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431872830 839194574 /nfs/dbraw/zinc/19/45/74/839194574.db2.gz QIULOMPXINQRIA-FQEVSTJZSA-N 0 3 396.491 3.966 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000129244690 844451820 /nfs/dbraw/zinc/45/18/20/844451820.db2.gz DDERJAFBZOHOBZ-UHFFFAOYSA-N 0 3 394.475 3.517 20 5 GHBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(N2CCCC2)c1 ZINC000126402542 841030440 /nfs/dbraw/zinc/03/04/40/841030440.db2.gz ZRRCSJHDMGTIDH-HRAATJIYSA-N 0 3 394.475 3.651 20 5 GHBDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126414473 841053234 /nfs/dbraw/zinc/05/32/34/841053234.db2.gz QGMIVHJQWUNFKU-HZPDHXFCSA-N 0 3 382.464 3.873 20 5 GHBDHN CN(C)CCN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1 ZINC001125500114 841350157 /nfs/dbraw/zinc/35/01/57/841350157.db2.gz QUZBAYZAPDEAOQ-UHFFFAOYSA-N 0 3 390.443 3.865 20 5 GHBDHN COc1ccc(CN(C)CCn2cccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125326682 841390826 /nfs/dbraw/zinc/39/08/26/841390826.db2.gz WRDRHHMBRFXEDJ-UHFFFAOYSA-N 0 3 396.447 3.511 20 5 GHBDHN CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000500099245 841433508 /nfs/dbraw/zinc/43/35/08/841433508.db2.gz OVWMHSBVDCTLAO-CYBMUJFWSA-N 0 3 376.482 3.944 20 5 GHBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000109533146 841943636 /nfs/dbraw/zinc/94/36/36/841943636.db2.gz MRLXFQUMWIIFNN-GOSISDBHSA-N 0 3 393.365 3.988 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000569852369 842245751 /nfs/dbraw/zinc/24/57/51/842245751.db2.gz OELZDEMBAGOQIQ-FQEVSTJZSA-N 0 3 387.867 3.951 20 5 GHBDHN CC1(C)C[C@H](NCc2ccccc2Cn2cncn2)c2cc([N+](=O)[O-])ccc21 ZINC000279040001 842502189 /nfs/dbraw/zinc/50/21/89/842502189.db2.gz JHSHJJTWAKTFDH-FQEVSTJZSA-N 0 3 377.448 3.747 20 5 GHBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)COCc1ccccc1 ZINC000511956818 842559759 /nfs/dbraw/zinc/55/97/59/842559759.db2.gz KUWPXVBEHMGFLL-HXUWFJFHSA-N 0 3 396.443 3.864 20 5 GHBDHN C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000512128303 842587669 /nfs/dbraw/zinc/58/76/69/842587669.db2.gz PRDOXMDYPCFWSV-HNNXBMFYSA-N 0 3 380.448 3.719 20 5 GHBDHN NC(=O)c1ccc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000603889976 861333879 /nfs/dbraw/zinc/33/38/79/861333879.db2.gz ILAVPPASNLKGBY-MRXNPFEDSA-N 0 3 378.432 3.555 20 5 GHBDHN Cc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000279341873 843016043 /nfs/dbraw/zinc/01/60/43/843016043.db2.gz REINMFKWFFHNOZ-UHFFFAOYSA-N 0 3 379.819 3.939 20 5 GHBDHN COc1ccc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000500549321 843622920 /nfs/dbraw/zinc/62/29/20/843622920.db2.gz WPCHUFMUAXEASS-LJQANCHMSA-N 0 3 376.840 3.748 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000510897445 843749899 /nfs/dbraw/zinc/74/98/99/843749899.db2.gz XUYUCIFVDMQFLT-OAQYLSRUSA-N 0 3 396.491 3.616 20 5 GHBDHN CC[C@H](C)NC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236976126 845320242 /nfs/dbraw/zinc/32/02/42/845320242.db2.gz OFDLHISHWFQWBO-LBPRGKRZSA-N 0 3 379.844 3.903 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000843806811 861558622 /nfs/dbraw/zinc/55/86/22/861558622.db2.gz YIUHALUSMFLXRW-UGSOOPFHSA-N 0 3 391.468 3.917 20 5 GHBDHN CC[C@@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000119519906 845483305 /nfs/dbraw/zinc/48/33/05/845483305.db2.gz SNXKWBJNWMOUEB-TZIWHRDSSA-N 0 3 381.476 3.869 20 5 GHBDHN CCNC(=O)COc1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433158170 845543299 /nfs/dbraw/zinc/54/32/99/845543299.db2.gz OYEFOHFNAKNMOW-HXUWFJFHSA-N 0 3 397.475 3.622 20 5 GHBDHN CC1(C)C[C@H](NC[C@@H](O)COc2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433169353 845582643 /nfs/dbraw/zinc/58/26/43/845582643.db2.gz QSBYUFNRYMCLCY-YJYMSZOUSA-N 0 3 392.402 3.625 20 5 GHBDHN C[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000280162531 846315631 /nfs/dbraw/zinc/31/56/31/846315631.db2.gz IDOOGSKQUYTABX-MRXNPFEDSA-N 0 3 395.459 3.554 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000551556995 846435084 /nfs/dbraw/zinc/43/50/84/846435084.db2.gz AWNYJYKLBXEQDA-HNAYVOBHSA-N 0 3 387.480 3.956 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(c4cccnn4)CC3)s2)cc1 ZINC000093150022 846777655 /nfs/dbraw/zinc/77/76/55/846777655.db2.gz DXUPQOFUUXZBPZ-UHFFFAOYSA-N 0 3 395.488 3.826 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1 ZINC000413182684 846874433 /nfs/dbraw/zinc/87/44/33/846874433.db2.gz SUOYVJXOMIWZSI-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN CC[C@H](C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000237078901 847028222 /nfs/dbraw/zinc/02/82/22/847028222.db2.gz XAVCZPJRSWRVGA-SFHVURJKSA-N 0 3 387.505 3.931 20 5 GHBDHN C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000513785185 847554807 /nfs/dbraw/zinc/55/48/07/847554807.db2.gz HSRPCYYJIZLSEJ-LZLYRXPVSA-N 0 3 383.496 3.975 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050553357 847849464 /nfs/dbraw/zinc/84/94/64/847849464.db2.gz QFNLIBSVTRKSST-UHFFFAOYSA-N 0 3 396.472 3.710 20 5 GHBDHN CN(C)C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000514800961 850308100 /nfs/dbraw/zinc/30/81/00/850308100.db2.gz UAHIHYKEMQZWKB-MRXNPFEDSA-N 0 3 380.807 3.812 20 5 GHBDHN CCOc1ccc([C@H](C)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000504928108 850465632 /nfs/dbraw/zinc/46/56/32/850465632.db2.gz ZHNJXRINMWNMBV-FXAWDEMLSA-N 0 3 399.491 3.545 20 5 GHBDHN CC(C)(CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCCC1 ZINC000435816007 850873929 /nfs/dbraw/zinc/87/39/29/850873929.db2.gz GBSJZHCVGOOHCL-UHFFFAOYSA-N 0 3 377.488 3.676 20 5 GHBDHN CN1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000425443236 851095904 /nfs/dbraw/zinc/09/59/04/851095904.db2.gz LIEUMRUULCNXPL-AEFFLSMTSA-N 0 3 390.281 3.892 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000519541563 851366889 /nfs/dbraw/zinc/36/68/89/851366889.db2.gz IAXGPPWBCVDCFA-UHFFFAOYSA-N 0 3 390.871 3.546 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000488577199 851626353 /nfs/dbraw/zinc/62/63/53/851626353.db2.gz WRIAOAOTHMXCQV-LJQANCHMSA-N 0 3 384.480 3.740 20 5 GHBDHN CCOc1ccc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000425633536 852370637 /nfs/dbraw/zinc/37/06/37/852370637.db2.gz VBHKLDFMRRKCLB-QGZVFWFLSA-N 0 3 383.448 3.517 20 5 GHBDHN Cc1c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)cccc1[N+](=O)[O-] ZINC000436828773 852378141 /nfs/dbraw/zinc/37/81/41/852378141.db2.gz NATGQWBIQOHFMU-OAHLLOKOSA-N 0 3 383.448 3.564 20 5 GHBDHN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000438496062 852484318 /nfs/dbraw/zinc/48/43/18/852484318.db2.gz WYSMNFLLIHVGOG-GOSISDBHSA-N 0 3 394.431 3.865 20 5 GHBDHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000912727962 852566078 /nfs/dbraw/zinc/56/60/78/852566078.db2.gz YDQBUIWEXFSYOP-IBGZPJMESA-N 0 3 386.408 3.761 20 5 GHBDHN Cc1c(CC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438932468 853099900 /nfs/dbraw/zinc/09/99/00/853099900.db2.gz NHCAFQJRAJIUIK-FQEVSTJZSA-N 0 3 381.476 3.569 20 5 GHBDHN CSc1ccc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507639565 853118916 /nfs/dbraw/zinc/11/89/16/853118916.db2.gz WJUFPIAFIUZLOT-WMLDXEAASA-N 0 3 385.489 3.882 20 5 GHBDHN COc1cc(CN[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000518274616 853149815 /nfs/dbraw/zinc/14/98/15/853149815.db2.gz NOOGPWKXQIQWRZ-GOSISDBHSA-N 0 3 397.475 3.509 20 5 GHBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426249724 853160282 /nfs/dbraw/zinc/16/02/82/853160282.db2.gz QSEKFWUNFNBWGZ-IBGZPJMESA-N 0 3 394.475 3.543 20 5 GHBDHN C[C@H](CO[C@H]1CCOC1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000151212129 853171967 /nfs/dbraw/zinc/17/19/67/853171967.db2.gz VGHZYBBBUOYWIW-KDOFPFPSSA-N 0 3 390.411 3.810 20 5 GHBDHN Cc1sc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140037131 853256680 /nfs/dbraw/zinc/25/66/80/853256680.db2.gz TWUMCBCNTATHCI-ZDUSSCGKSA-N 0 3 379.507 3.668 20 5 GHBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426328829 853473903 /nfs/dbraw/zinc/47/39/03/853473903.db2.gz DWUBCSAQMQYAPE-GOSISDBHSA-N 0 3 397.475 3.778 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171584889 862491772 /nfs/dbraw/zinc/49/17/72/862491772.db2.gz CPYHACSHSBFMPX-HNNXBMFYSA-N 0 3 393.484 3.599 20 5 GHBDHN COc1cc(CN(C[C@@H](C)c2ccccc2)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000588215068 854218921 /nfs/dbraw/zinc/21/89/21/854218921.db2.gz ZPGIUIGXTTYPEO-CABCVRRESA-N 0 3 376.428 3.729 20 5 GHBDHN CCN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184605462 855194939 /nfs/dbraw/zinc/19/49/39/855194939.db2.gz LSDUCRPULBNRAT-UWJYYQICSA-N 0 3 396.491 3.962 20 5 GHBDHN Cc1cc(N2CCCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590132562 855308536 /nfs/dbraw/zinc/30/85/36/855308536.db2.gz MTBYIKHVPVJSTJ-AWEZNQCLSA-N 0 3 387.402 3.613 20 5 GHBDHN COC[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000765848118 855554294 /nfs/dbraw/zinc/55/42/94/855554294.db2.gz FQQOJYKOOPEJGY-IAGOWNOFSA-N 0 3 384.354 3.624 20 5 GHBDHN COc1ccc(NC(=O)CCN2C[C@@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591026249 855746418 /nfs/dbraw/zinc/74/64/18/855746418.db2.gz ZPSJDYGGYVQOPR-RYUDHWBXSA-N 0 3 389.374 3.595 20 5 GHBDHN O=C(CCN[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000591727657 856233631 /nfs/dbraw/zinc/23/36/31/856233631.db2.gz OCKQQGYYKAZCCG-ICSRJNTNSA-N 0 3 387.411 3.572 20 5 GHBDHN COc1cc(CNC[C@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000171842041 856279901 /nfs/dbraw/zinc/27/99/01/856279901.db2.gz DJPXQTRNLUFPMY-NRFANRHFSA-N 0 3 388.464 3.679 20 5 GHBDHN CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC000592258426 856980281 /nfs/dbraw/zinc/98/02/81/856980281.db2.gz RIOMDCRUHIVHNN-CYBMUJFWSA-N 0 3 399.289 3.614 20 5 GHBDHN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@H]1C ZINC000485896119 857184910 /nfs/dbraw/zinc/18/49/10/857184910.db2.gz VEEQTQUJVYHTDE-QZTJIDSGSA-N 0 3 391.515 3.534 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000174248572 857234333 /nfs/dbraw/zinc/23/43/33/857234333.db2.gz WPMIOJRLNVRWRK-UHFFFAOYSA-N 0 3 394.431 3.731 20 5 GHBDHN CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(Cc2ccccc2)CC1 ZINC000113095921 857311998 /nfs/dbraw/zinc/31/19/98/857311998.db2.gz IGVAXNNSRVAWKA-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000175027554 857422977 /nfs/dbraw/zinc/42/29/77/857422977.db2.gz AZNIJBYLUILXHP-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)c(C)c2)CC1 ZINC000032410944 862914736 /nfs/dbraw/zinc/91/47/36/862914736.db2.gz SHXGTXLWUIPPLB-UHFFFAOYSA-N 0 3 388.493 3.667 20 5 GHBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000482350353 862965069 /nfs/dbraw/zinc/96/50/69/862965069.db2.gz KUNCHPRVJCSIPW-UHFFFAOYSA-N 0 3 397.431 3.554 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1nc(C(F)(F)F)cs1 ZINC000595027185 858372431 /nfs/dbraw/zinc/37/24/31/858372431.db2.gz QPPMFESTYARYMM-SECBINFHSA-N 0 3 375.372 3.972 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000595032025 858374212 /nfs/dbraw/zinc/37/42/12/858374212.db2.gz GFLIALYCYSDJQD-MKBNYLNASA-N 0 3 376.375 3.738 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000439110913 858381785 /nfs/dbraw/zinc/38/17/85/858381785.db2.gz KTXNYPNEEXAIGT-KRWDZBQOSA-N 0 3 387.867 3.951 20 5 GHBDHN CCCCN1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000067453073 858573216 /nfs/dbraw/zinc/57/32/16/858573216.db2.gz OQUBTJRDQGDUHL-OAQYLSRUSA-N 0 3 394.475 3.928 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cnccc1C(F)(F)F ZINC000596118010 858784157 /nfs/dbraw/zinc/78/41/57/858784157.db2.gz LXXNBVIOWBCCBR-LLVKDONJSA-N 0 3 382.342 3.516 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000466233919 858796287 /nfs/dbraw/zinc/79/62/87/858796287.db2.gz XTHHWWREGYMSTC-SFHVURJKSA-N 0 3 390.871 3.659 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1ccccc1F ZINC000429256798 858839402 /nfs/dbraw/zinc/83/94/02/858839402.db2.gz QSVIBNWFRLIFBL-UHFFFAOYSA-N 0 3 375.400 3.596 20 5 GHBDHN CC(C)(NC[C@H](O)COCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000429259588 858847941 /nfs/dbraw/zinc/84/79/41/858847941.db2.gz KMODPALPCHJOTP-HNNXBMFYSA-N 0 3 378.856 3.651 20 5 GHBDHN O=[N+]([O-])c1ccc(NCC2CCN(Cc3ccncc3)CC2)c2ccncc21 ZINC000596443519 858900323 /nfs/dbraw/zinc/90/03/23/858900323.db2.gz ZFIGUEZJMYCBDO-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328345 881366263 /nfs/dbraw/zinc/36/62/63/881366263.db2.gz JXXQPFGZGNWCPH-GDZNZVCISA-N 0 3 390.402 3.560 20 5 GHBDHN COc1ccc(C[C@@H](C)N[C@H]2CCOc3c(F)cc(F)cc32)c([N+](=O)[O-])c1 ZINC001170328007 881366695 /nfs/dbraw/zinc/36/66/95/881366695.db2.gz TVYMMKBFHJOGIP-DIFFPNOSSA-N 0 3 378.375 3.926 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000483106559 859151866 /nfs/dbraw/zinc/15/18/66/859151866.db2.gz PBOSEQVODPDOMJ-GOSISDBHSA-N 0 3 390.867 3.868 20 5 GHBDHN CCOC(=O)C1(CC)CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354023 881394332 /nfs/dbraw/zinc/39/43/32/881394332.db2.gz GWVBWFMPHMSUEB-OAHLLOKOSA-N 0 3 378.469 3.590 20 5 GHBDHN CSc1cccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000593336482 859449844 /nfs/dbraw/zinc/44/98/44/859449844.db2.gz HMBJOQYRCGIIJQ-HXUWFJFHSA-N 0 3 385.489 3.711 20 5 GHBDHN CCn1c2ccccc2nc1CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761223341 859598918 /nfs/dbraw/zinc/59/89/18/859598918.db2.gz ZWUJFRGOFNGOAO-UHFFFAOYSA-N 0 3 379.464 3.723 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000552058723 859669814 /nfs/dbraw/zinc/66/98/14/859669814.db2.gz XRPTVRBRTXCZOX-QWFCFKBJSA-N 0 3 397.475 3.783 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383165 859730020 /nfs/dbraw/zinc/73/00/20/859730020.db2.gz BMZJKQONGGLJQQ-RISCZKNCSA-N 0 3 385.247 3.992 20 5 GHBDHN COc1cc(CN[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000611464452 859765446 /nfs/dbraw/zinc/76/54/46/859765446.db2.gz YWKTXHWULKYWTP-SNVBAGLBSA-N 0 3 384.301 3.822 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4CCN(C)C[C@H]43)c([N+](=O)[O-])c2)cc1 ZINC000611510239 859790997 /nfs/dbraw/zinc/79/09/97/859790997.db2.gz QMYBMVKOHNWESV-IIBYNOLFSA-N 0 3 394.475 3.686 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC[C@H](c4nc(C)no4)C3)o2)c([N+](=O)[O-])c1 ZINC000091832825 859939499 /nfs/dbraw/zinc/93/94/99/859939499.db2.gz KDCJHHAHZMEODD-AWEZNQCLSA-N 0 3 398.419 3.934 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000154289349 860048460 /nfs/dbraw/zinc/04/84/60/860048460.db2.gz VVHASNOELYZVGK-BXUZGUMPSA-N 0 3 385.247 3.992 20 5 GHBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000598259963 860181294 /nfs/dbraw/zinc/18/12/94/860181294.db2.gz HFYDUBJVDOIMIX-INIZCTEOSA-N 0 3 382.464 3.507 20 5 GHBDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124127359 860238711 /nfs/dbraw/zinc/23/87/11/860238711.db2.gz RZWUSKPUYUPUOE-MRXNPFEDSA-N 0 3 385.464 3.839 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000330789526 860533902 /nfs/dbraw/zinc/53/39/02/860533902.db2.gz ZROXGKLLJAKQBO-MRXNPFEDSA-N 0 3 377.510 3.797 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000330789525 860533990 /nfs/dbraw/zinc/53/39/90/860533990.db2.gz ZROXGKLLJAKQBO-INIZCTEOSA-N 0 3 377.510 3.797 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@H](O)[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 ZINC000598988363 860704195 /nfs/dbraw/zinc/70/41/95/860704195.db2.gz QILUFWDVIRAMKT-OALUTQOASA-N 0 3 388.489 3.684 20 5 GHBDHN CCC1(N2CCOCC2)CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000599183769 860916438 /nfs/dbraw/zinc/91/64/38/860916438.db2.gz UIWJKGDWYJILQY-UHFFFAOYSA-N 0 3 387.402 3.695 20 5 GHBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792934092 881825369 /nfs/dbraw/zinc/82/53/69/881825369.db2.gz LFXIOZDFQLIQEK-BBRMVZONSA-N 0 3 376.840 3.758 20 5 GHBDHN CC(CN(C)Cc1ccccc1[N+](=O)[O-])CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000736309081 865171449 /nfs/dbraw/zinc/17/14/49/865171449.db2.gz XZCMAKSKQNRBPJ-UHFFFAOYSA-N 0 3 386.452 3.703 20 5 GHBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183157309 866284060 /nfs/dbraw/zinc/28/40/60/866284060.db2.gz NNIKZXFBLPMVET-HUUCEWRRSA-N 0 3 393.447 3.767 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000552818644 866307047 /nfs/dbraw/zinc/30/70/47/866307047.db2.gz WVNMQPVTLWROLL-KRWDZBQOSA-N 0 3 399.472 3.851 20 5 GHBDHN COc1cc(CN[C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000128234263 867032709 /nfs/dbraw/zinc/03/27/09/867032709.db2.gz PFEFCOFERPWDQO-UONOGXRCSA-N 0 3 396.394 3.675 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475700889 882081709 /nfs/dbraw/zinc/08/17/09/882081709.db2.gz XPCNFGFLAMMZHG-VQIMIIECSA-N 0 3 398.459 3.772 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000444895235 867453925 /nfs/dbraw/zinc/45/39/25/867453925.db2.gz BHAHWTLOPFNLBZ-GDBMZVCRSA-N 0 3 384.436 3.560 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457091985 867648573 /nfs/dbraw/zinc/64/85/73/867648573.db2.gz NFBSPUKNUMSGQX-INIZCTEOSA-N 0 3 379.526 3.898 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442686136 867913086 /nfs/dbraw/zinc/91/30/86/867913086.db2.gz USDVKSRZBVDNCG-YOEHRIQHSA-N 0 3 397.500 3.959 20 5 GHBDHN C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000457448840 868319558 /nfs/dbraw/zinc/31/95/58/868319558.db2.gz FPXPITVPCDCQNB-WMLDXEAASA-N 0 3 388.493 3.854 20 5 GHBDHN C[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1Cc1ccccc1 ZINC000524709355 869476656 /nfs/dbraw/zinc/47/66/56/869476656.db2.gz JSVYOQKYWLBKGH-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000461727121 870849955 /nfs/dbraw/zinc/84/99/55/870849955.db2.gz NTDDHVPDFRSEFL-MRXNPFEDSA-N 0 3 384.480 3.650 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462169515 871730970 /nfs/dbraw/zinc/73/09/70/871730970.db2.gz GZEYXDNYMBOOIS-KXBFYZLASA-N 0 3 399.516 3.957 20 5 GHBDHN CC(C)(C)OC(=O)CC[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195384661 872382689 /nfs/dbraw/zinc/38/26/89/872382689.db2.gz AQJCDMMIZPYCEK-MRXNPFEDSA-N 0 3 378.469 3.950 20 5 GHBDHN C[C@H](C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541610578 873946695 /nfs/dbraw/zinc/94/66/95/873946695.db2.gz ORKXZIFRFQWWDU-ZOBUZTSGSA-N 0 3 385.439 3.789 20 5 GHBDHN CCN(Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001198695088 874559098 /nfs/dbraw/zinc/55/90/98/874559098.db2.gz JDZWSZVGQQPWQO-UHFFFAOYSA-N 0 3 381.448 3.955 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000449520264 874992432 /nfs/dbraw/zinc/99/24/32/874992432.db2.gz RQOYHMZCUYETPD-CVEARBPZSA-N 0 3 382.407 3.977 20 5 GHBDHN CC(C)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000542252674 875226742 /nfs/dbraw/zinc/22/67/42/875226742.db2.gz FKKBVLNWHXNRLW-AUUYWEPGSA-N 0 3 378.856 3.975 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ccc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000450784629 876886419 /nfs/dbraw/zinc/88/64/19/876886419.db2.gz JUPGOYDZBKJTIV-UHFFFAOYSA-N 0 3 382.464 3.938 20 5 GHBDHN COc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000450854722 877014090 /nfs/dbraw/zinc/01/40/90/877014090.db2.gz GPGYHTRRZKMUAD-CSMYWGQOSA-N 0 3 398.406 3.642 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000787405535 877399745 /nfs/dbraw/zinc/39/97/45/877399745.db2.gz FRQHBKOKDCBABC-MJSCBBHESA-N 0 3 375.469 3.845 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000451211439 877581850 /nfs/dbraw/zinc/58/18/50/877581850.db2.gz MIBJHIMEQULAGO-HNNXBMFYSA-N 0 3 386.452 3.675 20 5 GHBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787812893 877634424 /nfs/dbraw/zinc/63/44/24/877634424.db2.gz QUIKAVXLNWKVMF-UHFFFAOYSA-N 0 3 382.873 3.905 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cc(F)ccc1F ZINC000179772908 877990175 /nfs/dbraw/zinc/99/01/75/877990175.db2.gz IZCQXZJMVLRZCN-INIZCTEOSA-N 0 3 393.390 3.951 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1COC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772719659 878093780 /nfs/dbraw/zinc/09/37/80/878093780.db2.gz SQZNRJIJDHDYQX-UHFFFAOYSA-N 0 3 398.459 3.949 20 5 GHBDHN C[C@@H](SCCN(C)Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000788508973 878115254 /nfs/dbraw/zinc/11/52/54/878115254.db2.gz LJEGXWVLICCILC-CQSZACIVSA-N 0 3 391.468 3.926 20 5 GHBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN(Cc2ccccc2)C1 ZINC000451706770 878370139 /nfs/dbraw/zinc/37/01/39/878370139.db2.gz KOIDCRCBHSPEFT-MRXNPFEDSA-N 0 3 380.448 3.690 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc1 ZINC000530872637 878677894 /nfs/dbraw/zinc/67/78/94/878677894.db2.gz BHHWJGUHKCEELS-UHFFFAOYSA-N 0 3 390.403 3.559 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCNCc2ccccc2OCc2cccnc2)cc1 ZINC000068989376 879387706 /nfs/dbraw/zinc/38/77/06/879387706.db2.gz RCUDQHVYVFONLG-UHFFFAOYSA-N 0 3 379.416 3.737 20 5 GHBDHN C[C@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494060062 879867505 /nfs/dbraw/zinc/86/75/05/879867505.db2.gz KVGDRXZZWCQSDU-HNAYVOBHSA-N 0 3 394.475 3.562 20 5 GHBDHN C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000790993985 880123721 /nfs/dbraw/zinc/12/37/21/880123721.db2.gz NFSHXLILWLPOKP-CWTRNNRKSA-N 0 3 393.846 3.737 20 5 GHBDHN CSc1cccc(C(=O)N(CCc2ccccc2)CCN(C)C)c1[N+](=O)[O-] ZINC000776783517 880250816 /nfs/dbraw/zinc/25/08/16/880250816.db2.gz HQTCPPZOUDDPSV-UHFFFAOYSA-N 0 3 387.505 3.563 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](Cn1ccnc1)c1ccccc1 ZINC001183501527 912597769 /nfs/dbraw/zinc/59/77/69/912597769.db2.gz XMORCWMBKOSDLW-OXQOHEQNSA-N 0 3 393.447 3.540 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000609707557 883563973 /nfs/dbraw/zinc/56/39/73/883563973.db2.gz CUKQODIGMQTSNR-VRNJFQDWSA-N 0 3 380.366 3.732 20 5 GHBDHN Cc1c(Br)c(NC[C@@H](c2cccc(F)c2)N(C)C)ncc1[N+](=O)[O-] ZINC000542505889 883790587 /nfs/dbraw/zinc/79/05/87/883790587.db2.gz AZMYCINCYIGGHB-AWEZNQCLSA-N 0 3 397.248 3.915 20 5 GHBDHN CN(C)C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000859848007 884120004 /nfs/dbraw/zinc/12/00/04/884120004.db2.gz ZJWXDGJXPVUREO-ROUUACIJSA-N 0 3 398.290 3.828 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000237880694 884705048 /nfs/dbraw/zinc/70/50/48/884705048.db2.gz DPFRWSXJZWLEHD-KRWDZBQOSA-N 0 3 379.382 3.978 20 5 GHBDHN Cc1ccc(Sc2ccc(CNCCCS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000237775881 885044085 /nfs/dbraw/zinc/04/40/85/885044085.db2.gz HTQYWTWRVLYALR-UHFFFAOYSA-N 0 3 394.518 3.579 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000806948945 885141653 /nfs/dbraw/zinc/14/16/53/885141653.db2.gz BFRISXPBBLMARN-LRDDRELGSA-N 0 3 394.859 3.770 20 5 GHBDHN CCOc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001130799028 885161910 /nfs/dbraw/zinc/16/19/10/885161910.db2.gz QSGXTKDYRGSBLR-NEPJUHHUSA-N 0 3 376.331 3.680 20 5 GHBDHN COc1ccc(NC(=O)CCN(C)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000026250738 885364578 /nfs/dbraw/zinc/36/45/78/885364578.db2.gz CGVUWWIFLQDXEI-UHFFFAOYSA-N 0 3 383.857 3.779 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CC(C)C)c1cccs1 ZINC000542555751 885681878 /nfs/dbraw/zinc/68/18/78/885681878.db2.gz JMNMHMULTRNTFT-HNNXBMFYSA-N 0 3 377.466 3.980 20 5 GHBDHN C[C@@]1(Cc2cccc(Cl)c2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593049807 885738129 /nfs/dbraw/zinc/73/81/29/885738129.db2.gz OUMCRJIKPRHIBC-IBGZPJMESA-N 0 3 375.856 3.507 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000542572350 886849092 /nfs/dbraw/zinc/84/90/92/886849092.db2.gz CEXJHZKTNLYWDR-VBKZILBWSA-N 0 3 387.455 3.819 20 5 GHBDHN O=[N+]([O-])c1cnn(CCNCc2cccc(OCc3ccccc3Cl)c2)c1 ZINC000532674830 887614217 /nfs/dbraw/zinc/61/42/17/887614217.db2.gz IRYZXCPVQHHDNC-UHFFFAOYSA-N 0 3 386.839 3.814 20 5 GHBDHN COc1cnccc1N1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000810000676 888067981 /nfs/dbraw/zinc/06/79/81/888067981.db2.gz ZNBWHNNXVCGLQZ-UHFFFAOYSA-N 0 3 397.262 3.627 20 5 GHBDHN O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532701928 888321653 /nfs/dbraw/zinc/32/16/53/888321653.db2.gz CDMGIRGVCZRCHL-OAQYLSRUSA-N 0 3 383.423 3.754 20 5 GHBDHN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@@H]1C ZINC000032735340 888749272 /nfs/dbraw/zinc/74/92/72/888749272.db2.gz VEEQTQUJVYHTDE-ROUUACIJSA-N 0 3 391.515 3.534 20 5 GHBDHN CC(C)(CCc1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1)[N+](=O)[O-] ZINC000812813666 890973896 /nfs/dbraw/zinc/97/38/96/890973896.db2.gz PCTDOVRPYJYCPV-OAHLLOKOSA-N 0 3 376.432 3.576 20 5 GHBDHN Cc1ccccc1-c1cc(C(=O)OCC(C)[N+](=O)[O-])c2cnn(C(C)C)c2n1 ZINC000813108003 891303170 /nfs/dbraw/zinc/30/31/70/891303170.db2.gz SVPUVBCEJZZVAK-CQSZACIVSA-N 0 3 382.420 3.810 20 5 GHBDHN CC(COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21)[N+](=O)[O-] ZINC000813110889 891303467 /nfs/dbraw/zinc/30/34/67/891303467.db2.gz LMHAKULFQAKWQX-JTQLQIEISA-N 0 3 385.351 3.728 20 5 GHBDHN CC([C@H](OC(=O)Cn1nc(C(F)F)cc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000873544095 891677043 /nfs/dbraw/zinc/67/70/43/891677043.db2.gz CJADZKKZPDPJRS-QGHHPUGFSA-N 0 3 397.353 3.787 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000067753566 892045038 /nfs/dbraw/zinc/04/50/38/892045038.db2.gz ACSFVBJENYEMHH-NRFANRHFSA-N 0 3 397.475 3.806 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cc(F)c(C(F)(F)F)cc3F)C2)c1 ZINC000877533771 893670261 /nfs/dbraw/zinc/67/02/61/893670261.db2.gz SBWVEOZVQPMFMH-UHFFFAOYSA-N 0 3 376.285 3.582 20 5 GHBDHN COc1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1OC1CCCC1 ZINC000819068864 896384222 /nfs/dbraw/zinc/38/42/22/896384222.db2.gz MGJDFPMHNCYZOH-IBGZPJMESA-N 0 3 386.448 3.748 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@@H]1CCOC1)c1ccccc1 ZINC000042183427 897256426 /nfs/dbraw/zinc/25/64/26/897256426.db2.gz ZCOYGQWZAYXFPN-UGSOOPFHSA-N 0 3 389.839 3.554 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000043347173 898483827 /nfs/dbraw/zinc/48/38/27/898483827.db2.gz QISNWFAQHWUAAD-UHFFFAOYSA-N 0 3 382.464 3.951 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000289821947 914365516 /nfs/dbraw/zinc/36/55/16/914365516.db2.gz OFOSXLPVHIPSMP-GOSISDBHSA-N 0 3 385.395 3.788 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263320 900058147 /nfs/dbraw/zinc/05/81/47/900058147.db2.gz PZRRKGXJHNEXME-GDBMZVCRSA-N 0 3 393.484 3.777 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290152898 914548769 /nfs/dbraw/zinc/54/87/69/914548769.db2.gz NSBKVESXCBCRPJ-OAQYLSRUSA-N 0 3 395.459 3.526 20 5 GHBDHN CC([C@@H](OC(=O)CCc1nc(C2CCCC2)no1)c1ccccc1F)[N+](=O)[O-] ZINC000845873315 902475243 /nfs/dbraw/zinc/47/52/43/902475243.db2.gz CIKWIXBKTCXMNC-KZULUSFZSA-N 0 3 391.399 3.749 20 5 GHBDHN CC(=O)c1cccc(O[C@H](C)C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845878731 902481001 /nfs/dbraw/zinc/48/10/01/902481001.db2.gz VTEOYOVYVARJBV-CFZJUORYSA-N 0 3 389.379 3.745 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000845878242 902482244 /nfs/dbraw/zinc/48/22/44/902482244.db2.gz RTZHWEMDRNTCRY-VFVRVIDISA-N 0 3 375.400 3.865 20 5 GHBDHN CC([C@H](OC(=O)c1csc(C(F)(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845884331 902488243 /nfs/dbraw/zinc/48/82/43/902488243.db2.gz XRPYGDXCDHHULR-CPCISQLKSA-N 0 3 378.303 3.864 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)OCCc1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845883048 902488289 /nfs/dbraw/zinc/48/82/89/902488289.db2.gz RDVGFXBGNWDUQT-VCBZYWHSSA-N 0 3 375.396 3.723 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000152620891 904286406 /nfs/dbraw/zinc/28/64/06/904286406.db2.gz DECQMAJGCTYDAO-LSDHHAIUSA-N 0 3 381.436 3.986 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)CCCC(=O)c2cccnc2)c1F ZINC001173190474 906271127 /nfs/dbraw/zinc/27/11/27/906271127.db2.gz SZTFMTYGEXHQCV-AWEZNQCLSA-N 0 3 389.427 3.663 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001173223568 906304016 /nfs/dbraw/zinc/30/40/16/906304016.db2.gz AYRPZNBMFGFXFH-FOIQADDNSA-N 0 3 377.485 3.905 20 5 GHBDHN COc1cc(CN[C@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190949912 906467763 /nfs/dbraw/zinc/46/77/63/906467763.db2.gz HYTGVUFXTIOJCQ-ZWKOTPCHSA-N 0 3 386.448 3.840 20 5 GHBDHN COC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC001175560371 907636066 /nfs/dbraw/zinc/63/60/66/907636066.db2.gz KNKSVAMGYSRGGR-QGZVFWFLSA-N 0 3 395.253 3.713 20 5 GHBDHN CCC[C@](C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001176891194 908290162 /nfs/dbraw/zinc/29/01/62/908290162.db2.gz ARLXPZNGDPBACO-IBGZPJMESA-N 0 3 376.478 3.674 20 5 GHBDHN CC(C)OC(=O)C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC001182616370 911927305 /nfs/dbraw/zinc/92/73/05/911927305.db2.gz OBBIGMMOGKMDFJ-GFCCVEGCSA-N 0 3 393.303 3.875 20 5 GHBDHN O=C1CCCN1[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093277522 912151692 /nfs/dbraw/zinc/15/16/92/912151692.db2.gz ASQAKGLSPVXEQX-QGZVFWFLSA-N 0 3 385.489 3.910 20 5 GHBDHN Cc1cc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC001186922922 914903218 /nfs/dbraw/zinc/90/32/18/914903218.db2.gz SGTODLVHNLITAZ-SFTDATJTSA-N 0 3 385.439 3.522 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N(C)C)cc1 ZINC000252003927 914986227 /nfs/dbraw/zinc/98/62/27/914986227.db2.gz NUDIUJBNYIUIMV-SFHVURJKSA-N 0 3 375.856 3.843 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000294347833 916753608 /nfs/dbraw/zinc/75/36/08/916753608.db2.gz FRGIUODIONIPHO-INIZCTEOSA-N 0 3 395.456 3.617 20 5 GHBDHN C[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294835739 917004705 /nfs/dbraw/zinc/00/47/05/917004705.db2.gz RKCNFAGYMJBCCV-HNNXBMFYSA-N 0 3 382.464 3.654 20 5 GHBDHN CC[C@H]1c2ccsc2CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335498 919538612 /nfs/dbraw/zinc/53/86/12/919538612.db2.gz TXNIZOYJQKMJOA-HNNXBMFYSA-N 0 3 387.461 3.964 20 5 GHBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)N(C)C)c1 ZINC000413026250 928116686 /nfs/dbraw/zinc/11/66/86/928116686.db2.gz IZEAQRULZPPVEX-HNNXBMFYSA-N 0 3 384.358 3.732 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000751382508 928164147 /nfs/dbraw/zinc/16/41/47/928164147.db2.gz QBLJOAZLMLEVFV-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@]3(O)CCc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000752123326 928625278 /nfs/dbraw/zinc/62/52/78/928625278.db2.gz RSPPYFVFZUFAPD-QFIPXVFZSA-N 0 3 394.427 3.787 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000757737719 929786836 /nfs/dbraw/zinc/78/68/36/929786836.db2.gz DFQZJJBYBUKASB-INIZCTEOSA-N 0 3 377.485 3.982 20 5 GHBDHN COC(=O)CCC(C)(C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000546579357 930275432 /nfs/dbraw/zinc/27/54/32/930275432.db2.gz JQVLCIIDDBNKRU-UHFFFAOYSA-N 0 3 376.409 3.685 20 5 GHBDHN CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470675430 930814577 /nfs/dbraw/zinc/81/45/77/930814577.db2.gz ZKABCHYTSSEURG-IBGZPJMESA-N 0 3 396.491 3.520 20 5 GHBDHN COc1ccc(C)cc1[C@@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782530497 931259622 /nfs/dbraw/zinc/25/96/22/931259622.db2.gz HBGBSHPAMTXTEV-CYBMUJFWSA-N 0 3 375.400 3.730 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccco1 ZINC000557912683 931750753 /nfs/dbraw/zinc/75/07/53/931750753.db2.gz XCMHKYLEDNZLSV-WFASDCNBSA-N 0 3 377.466 3.769 20 5 GHBDHN Cc1c(CC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000558973399 932347536 /nfs/dbraw/zinc/34/75/36/932347536.db2.gz RHCYZJKXWRIEGJ-QGZVFWFLSA-N 0 3 375.856 3.518 20 5 GHBDHN CCOC(=O)C1(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001116631662 933673844 /nfs/dbraw/zinc/67/38/44/933673844.db2.gz IBILKUVESOLJRT-UHFFFAOYSA-N 0 3 378.812 3.941 20 5 GHBDHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001117066824 933852379 /nfs/dbraw/zinc/85/23/79/933852379.db2.gz WOXZTZVYQWQBDK-SCLBCKFNSA-N 0 3 396.871 3.756 20 5 GHBDHN O=C(NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC001118326832 934139679 /nfs/dbraw/zinc/13/96/79/934139679.db2.gz YFVPYHHUOPRNRQ-MRXNPFEDSA-N 0 3 393.365 3.621 20 5 GHBDHN COc1ccc([C@@H]2CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)cc1 ZINC000777955909 934384316 /nfs/dbraw/zinc/38/43/16/934384316.db2.gz BVDXTFKYCZUCDU-GOSISDBHSA-N 0 3 378.432 3.914 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CCOc1cccc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000828807385 935715750 /nfs/dbraw/zinc/71/57/50/935715750.db2.gz LYRUOGPNLXETMF-WGSAOQKQSA-N 0 3 388.439 3.918 20 5 GHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1C ZINC000470155678 1016739913 /nfs/dbraw/zinc/73/99/13/1016739913.db2.gz BKMCIZLABFPMQL-SMDDNHRTSA-N 0 3 378.812 3.892 20 5 GHBDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001155258118 1032472921 /nfs/dbraw/zinc/47/29/21/1032472921.db2.gz MEPLLHPUCXVVEW-LLVKDONJSA-N 0 3 378.367 3.550 20 5 GHBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000558396095 1017191958 /nfs/dbraw/zinc/19/19/58/1017191958.db2.gz DKMMRKGQUFGRKO-CVEARBPZSA-N 0 3 381.860 3.514 20 5 GHBDHN CN1CCC(N(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000777947076 1017904090 /nfs/dbraw/zinc/90/40/90/1017904090.db2.gz KWDYSYRVYWSBCS-UHFFFAOYSA-N 0 3 389.402 3.814 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000562877703 1018741076 /nfs/dbraw/zinc/74/10/76/1018741076.db2.gz ZEEKQLQHIIFJAX-LJQANCHMSA-N 0 3 386.452 3.806 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000754063568 1022453380 /nfs/dbraw/zinc/45/33/80/1022453380.db2.gz KETHRXSNNDNONN-SBCUQWKCSA-N 0 3 379.460 3.951 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000754123450 1022498194 /nfs/dbraw/zinc/49/81/94/1022498194.db2.gz AVGJGKOLOHMHSY-ZCXUNETKSA-N 0 3 381.476 3.631 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NCc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000839187461 1025703980 /nfs/dbraw/zinc/70/39/80/1025703980.db2.gz UGBCSECJKIIWLO-JYJNAYRXSA-N 0 3 393.459 3.859 20 5 GHBDHN O=[N+]([O-])c1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1Br ZINC000839582151 1026080302 /nfs/dbraw/zinc/08/03/02/1026080302.db2.gz XSUDKWPDCOVIJU-WQVCFCJDSA-N 0 3 381.270 3.795 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001163968708 1026374462 /nfs/dbraw/zinc/37/44/62/1026374462.db2.gz SXTLMGGJVFMKSB-KRWDZBQOSA-N 0 3 383.448 3.685 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001461215889 1069446209 /nfs/dbraw/zinc/44/62/09/1069446209.db2.gz JGRYDROIONYOMQ-CQSZACIVSA-N 0 3 381.473 3.586 20 5 GHBDHN O=C(NC[C@@H]1CCCCN1C1CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216140775 1029540192 /nfs/dbraw/zinc/54/01/92/1029540192.db2.gz IGCKIWNYHUYSOO-ZDUSSCGKSA-N 0 3 386.374 3.752 20 5 GHBDHN Cc1cc([C@@H](N)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(Cl)n1 ZINC000843399948 1029972360 /nfs/dbraw/zinc/97/23/60/1029972360.db2.gz WFIRIHBGSZBJJJ-KRWDZBQOSA-N 0 3 390.871 3.779 20 5 GHBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC001222692418 1030279093 /nfs/dbraw/zinc/27/90/93/1030279093.db2.gz DHCZTNLGBOPLLY-UHFFFAOYSA-N 0 3 388.512 3.577 20 5 GHBDHN COC(=O)[C@H](O[C@@H]1CN(Cc2ccccc2)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223640611 1030676689 /nfs/dbraw/zinc/67/66/89/1030676689.db2.gz WSURYUMNFSSMTM-MAODMQOUSA-N 0 3 398.459 3.736 20 5 GHBDHN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)[C@@H]1CNC[C@H](F)C1 ZINC001219207237 1031305622 /nfs/dbraw/zinc/30/56/22/1031305622.db2.gz CHVWKQZTILUWCJ-DLBZAZTESA-N 0 3 380.467 3.649 20 5 GHBDHN CN(CCN(C)C(=O)c1cccc2nc3ccccc3nc21)Cc1ccccc1 ZINC001153865366 1031779519 /nfs/dbraw/zinc/77/95/19/1031779519.db2.gz BGNIDDUKQRYIMT-UHFFFAOYSA-N 0 3 384.483 3.987 20 5 GHBDHN C[C@@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001230216225 1033947428 /nfs/dbraw/zinc/94/74/28/1033947428.db2.gz CGRYBKDUMJSFDU-JZXOWHBKSA-N 0 3 382.464 3.618 20 5 GHBDHN C[C@H](N)c1ccn(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)n1 ZINC001158355936 1034039495 /nfs/dbraw/zinc/03/94/95/1034039495.db2.gz IMBUVWXQEUKRLA-VIFPVBQESA-N 0 3 394.769 3.519 20 5 GHBDHN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC001160849972 1035079169 /nfs/dbraw/zinc/07/91/69/1035079169.db2.gz XAKMRDFQOJDJHQ-QHCPKHFHSA-N 0 3 398.510 3.992 20 5 GHBDHN COc1ccc(O[C@@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)nc1 ZINC001232225537 1035172463 /nfs/dbraw/zinc/17/24/63/1035172463.db2.gz DDSGBEIFENRQBJ-HXUWFJFHSA-N 0 3 386.455 3.840 20 5 GHBDHN CC(C)(C)C(=O)NC1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232227683 1035173397 /nfs/dbraw/zinc/17/33/97/1035173397.db2.gz LIRYKDCTBJOYKC-UHFFFAOYSA-N 0 3 376.504 3.910 20 5 GHBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC001161885409 1035321905 /nfs/dbraw/zinc/32/19/05/1035321905.db2.gz NLWKGHRSKUMJEU-LBPRGKRZSA-N 0 3 382.251 3.768 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1C ZINC001462228106 1070101174 /nfs/dbraw/zinc/10/11/74/1070101174.db2.gz AEHGOUCUUKQXKK-LJQANCHMSA-N 0 3 381.476 3.996 20 5 GHBDHN CCN1CC[C@H](Oc2cc(C(F)(F)F)c(Br)cc2[N+](=O)[O-])C1 ZINC001234393415 1039998110 /nfs/dbraw/zinc/99/81/10/1039998110.db2.gz WPARMWBBHNXGGT-QMMMGPOBSA-N 0 3 383.164 3.849 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCOc4c(F)cc(F)cc43)CC2)cc1 ZINC001254472913 1040257795 /nfs/dbraw/zinc/25/77/95/1040257795.db2.gz UXVHZNCQMCHAPD-IBGZPJMESA-N 0 3 389.402 3.955 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CC1)NC(=O)Nc1ccccc12 ZINC001254560255 1040331394 /nfs/dbraw/zinc/33/13/94/1040331394.db2.gz QOWULJPQUISROH-OAHLLOKOSA-N 0 3 380.448 3.652 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC12CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254592423 1040364003 /nfs/dbraw/zinc/36/40/03/1040364003.db2.gz DBBTVMCSLYBHLO-SFHVURJKSA-N 0 3 387.480 3.537 20 5 GHBDHN COc1cccc2c1CN(C1CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)CC2 ZINC001256093144 1041522108 /nfs/dbraw/zinc/52/21/08/1041522108.db2.gz GVUOHWSSCBQAHI-UHFFFAOYSA-N 0 3 397.475 3.639 20 5 GHBDHN COc1cc(N2CCC(NCc3ccc(C(F)(F)F)o3)CC2)ccc1[N+](=O)[O-] ZINC001256094283 1041523451 /nfs/dbraw/zinc/52/34/51/1041523451.db2.gz HYGOYGVZRJKUEJ-UHFFFAOYSA-N 0 3 399.369 3.974 20 5 GHBDHN COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001306901775 1048952609 /nfs/dbraw/zinc/95/26/09/1048952609.db2.gz NLTSUUVIEXMSDB-FOIQADDNSA-N 0 3 385.464 3.562 20 5 GHBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c2ccccc21 ZINC001307094491 1049070039 /nfs/dbraw/zinc/07/00/39/1049070039.db2.gz WGNAWJSPJBWHRB-SFHVURJKSA-N 0 3 392.459 3.846 20 5 GHBDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC001307900817 1049678314 /nfs/dbraw/zinc/67/83/14/1049678314.db2.gz MBYMVIXTWZHSID-PBHICJAKSA-N 0 3 390.867 3.650 20 5 GHBDHN C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC001307900819 1049678478 /nfs/dbraw/zinc/67/84/78/1049678478.db2.gz MBYMVIXTWZHSID-WMLDXEAASA-N 0 3 390.867 3.650 20 5 GHBDHN Cc1c(NC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259132 1051973031 /nfs/dbraw/zinc/97/30/31/1051973031.db2.gz UHPJWLBURBJHDX-VFZGTOFNSA-N 0 3 386.374 3.526 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC001338718633 1058746279 /nfs/dbraw/zinc/74/62/79/1058746279.db2.gz GLBPXXHYBXNBNF-LJQANCHMSA-N 0 3 394.427 3.917 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)N2CCCC2)cc1 ZINC001442590915 1058980272 /nfs/dbraw/zinc/98/02/72/1058980272.db2.gz HLZYYZUDJXJJOW-HXUWFJFHSA-N 0 3 385.439 3.918 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001449354012 1060388988 /nfs/dbraw/zinc/38/89/88/1060388988.db2.gz IYUVIFPBODHHCT-IBGZPJMESA-N 0 3 375.513 3.888 20 5 GHBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455409756 1062133252 /nfs/dbraw/zinc/13/32/52/1062133252.db2.gz ALRATWJDYMHKAL-RBUKOAKNSA-N 0 3 380.448 3.647 20 5 GHBDHN Cc1cc(Cl)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001456521183 1062730377 /nfs/dbraw/zinc/73/03/77/1062730377.db2.gz WJGMPLHIQXLQMV-MRXNPFEDSA-N 0 3 387.867 3.951 20 5 GHBDHN CC[C@H](C)N[C@@H](CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001458373384 1063769752 /nfs/dbraw/zinc/76/97/52/1063769752.db2.gz RMXLRQDVFPLPBV-GUYCJALGSA-N 0 3 384.436 3.708 20 5 GHBDHN CNc1c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001464402189 1064989424 /nfs/dbraw/zinc/98/94/24/1064989424.db2.gz PTDMWQOKPRRGEX-FQEVSTJZSA-N 0 3 396.491 3.840 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353856098 1066307334 /nfs/dbraw/zinc/30/73/34/1066307334.db2.gz KOYVIBLJLGCMMR-VOQZNFBZSA-N 0 3 393.487 3.821 20 5 GHBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001359852970 1068221984 /nfs/dbraw/zinc/22/19/84/1068221984.db2.gz BOQBSKGAOVTSTD-UHFFFAOYSA-N 0 3 395.381 3.525 20 5 GHBDHN CCCCO[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001460071312 1068759794 /nfs/dbraw/zinc/75/97/94/1068759794.db2.gz ADZLSHQIEOZEOM-CVEARBPZSA-N 0 3 383.876 3.760 20 5 GHBDHN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460346443 1068935613 /nfs/dbraw/zinc/93/56/13/1068935613.db2.gz XSOKOINMCLGTRH-RBUKOAKNSA-N 0 3 386.448 3.655 20 5 GHBDHN Cc1c(CN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001460376673 1068947536 /nfs/dbraw/zinc/94/75/36/1068947536.db2.gz XEGOGQOTQVPKPS-OAHLLOKOSA-N 0 3 393.365 3.513 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001470712359 1072698585 /nfs/dbraw/zinc/69/85/85/1072698585.db2.gz CFMUHBYEJAMGOB-RTWAWAEBSA-N 0 3 395.503 3.863 20 5 GHBDHN CC(C)(NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CCOCC1 ZINC001473428079 1073960252 /nfs/dbraw/zinc/96/02/52/1073960252.db2.gz LHAYNFHJPLWVDM-UHFFFAOYSA-N 0 3 380.832 3.593 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC001473692203 1074089837 /nfs/dbraw/zinc/08/98/37/1074089837.db2.gz XSFPAPSYWCZGOD-KRWDZBQOSA-N 0 3 385.247 3.994 20 5 GHBDHN Cc1c(CN[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001474132859 1074272270 /nfs/dbraw/zinc/27/22/70/1074272270.db2.gz XEUJMPGEHZKHPG-OAQYLSRUSA-N 0 3 383.448 3.794 20 5 GHBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474397608 1074385866 /nfs/dbraw/zinc/38/58/66/1074385866.db2.gz VTPHCIKRNQQVBK-QMTHXVAHSA-N 0 3 391.287 3.630 20 5 GHBDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180828285 837580513 /nfs/dbraw/zinc/58/05/13/837580513.db2.gz OJHSRTZQYDOGSH-QWHCGFSZSA-N 0 3 382.507 3.797 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431801680 837695565 /nfs/dbraw/zinc/69/55/65/837695565.db2.gz SPIUNNSOVVCOGG-VQIMIIECSA-N 0 3 396.491 3.965 20 5 GHBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176867271 837764115 /nfs/dbraw/zinc/76/41/15/837764115.db2.gz OVCAEEGRSYCTBY-UHFFFAOYSA-N 0 3 382.873 3.905 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000514930884 834443965 /nfs/dbraw/zinc/44/39/65/834443965.db2.gz LUUNLPMWJOICGR-IBGZPJMESA-N 0 3 386.452 3.808 20 5 GHBDHN Cc1cc(F)cc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000176792630 834757220 /nfs/dbraw/zinc/75/72/20/834757220.db2.gz GEQVSZDJFPMGPW-CQSZACIVSA-N 0 3 391.468 3.746 20 5 GHBDHN COc1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000188005738 835327027 /nfs/dbraw/zinc/32/70/27/835327027.db2.gz YMIOZXWNDIPYMJ-MRXNPFEDSA-N 0 3 397.475 3.648 20 5 GHBDHN CSc1cccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188206930 835470534 /nfs/dbraw/zinc/47/05/34/835470534.db2.gz RPRHQHWWYZPUSN-ZBFHGGJFSA-N 0 3 385.489 3.710 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000500858500 844070075 /nfs/dbraw/zinc/07/00/75/844070075.db2.gz MDKUBBPKYDDEFT-RHSMWYFYSA-N 0 3 378.432 3.641 20 5 GHBDHN CCCCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000584258706 835810855 /nfs/dbraw/zinc/81/08/55/835810855.db2.gz DWZMZNWFTIXPCN-HZPDHXFCSA-N 0 3 383.876 3.760 20 5 GHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411316737 836125901 /nfs/dbraw/zinc/12/59/01/836125901.db2.gz MTTVIICKRQRFPT-HBMCJLEFSA-N 0 3 379.460 3.652 20 5 GHBDHN CN(C)C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2O1 ZINC000610762063 844144204 /nfs/dbraw/zinc/14/42/04/844144204.db2.gz XLDBTESNKGRRBI-HNNXBMFYSA-N 0 3 397.456 3.779 20 5 GHBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000275342605 836810014 /nfs/dbraw/zinc/81/00/14/836810014.db2.gz RZDFGALJEIHQJO-UWJYYQICSA-N 0 3 396.447 3.825 20 5 GHBDHN CCOc1ccc([C@H](C)NCCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000181559899 837959346 /nfs/dbraw/zinc/95/93/46/837959346.db2.gz OHKOUASEUQNYEY-AWEZNQCLSA-N 0 3 382.420 3.937 20 5 GHBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275615699 838031544 /nfs/dbraw/zinc/03/15/44/838031544.db2.gz UNXPQFGNWVBSDO-CYBMUJFWSA-N 0 3 399.441 3.786 20 5 GHBDHN CCc1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000471438119 838040942 /nfs/dbraw/zinc/04/09/42/838040942.db2.gz XELNDTYEXOTOGL-FQEVSTJZSA-N 0 3 381.476 3.894 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000122775392 838347075 /nfs/dbraw/zinc/34/70/75/838347075.db2.gz XHFQFIQSKDUFRE-MRXNPFEDSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1cccc([C@H]2[C@H](NCc3ccc([N+](=O)[O-])cc3OC)CCN2C2CC2)c1 ZINC000549117093 838665931 /nfs/dbraw/zinc/66/59/31/838665931.db2.gz KAEQGKFQHGOAHI-IRLDBZIGSA-N 0 3 397.475 3.680 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(OCC(F)(F)F)c3)C2)nc1 ZINC000118866479 838735516 /nfs/dbraw/zinc/73/55/16/838735516.db2.gz WLKHPRRQSAVSLL-CQSZACIVSA-N 0 3 396.369 3.617 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1ccco1 ZINC000412338101 838742515 /nfs/dbraw/zinc/74/25/15/838742515.db2.gz RSYKARVUNSVSKE-GDBMZVCRSA-N 0 3 389.452 3.834 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000177740346 839137339 /nfs/dbraw/zinc/13/73/39/839137339.db2.gz HZCJCQXSMWSNKU-GOSISDBHSA-N 0 3 383.448 3.726 20 5 GHBDHN CS(=O)(=O)Cc1ccccc1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312632 840710193 /nfs/dbraw/zinc/71/01/93/840710193.db2.gz NYWYWERHXQIFQA-FQEVSTJZSA-N 0 3 388.489 3.697 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCCS(=O)(=O)c1ccccc1)CCCC2 ZINC000417337818 840740227 /nfs/dbraw/zinc/74/02/27/840740227.db2.gz JFKAOOWANSICCA-HXUWFJFHSA-N 0 3 388.489 3.816 20 5 GHBDHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000109347994 841872779 /nfs/dbraw/zinc/87/27/79/841872779.db2.gz UXHBVSNBUAANQW-MAUKXSAKSA-N 0 3 385.439 3.823 20 5 GHBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000471720774 842252706 /nfs/dbraw/zinc/25/27/06/842252706.db2.gz MYIBOFPXTFYOHU-UHFFFAOYSA-N 0 3 391.884 3.934 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)c1 ZINC000112821458 842391204 /nfs/dbraw/zinc/39/12/04/842391204.db2.gz NRYKZIWLCSZCSZ-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN COc1cc(CNCCc2ccccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588627 842578677 /nfs/dbraw/zinc/57/86/77/842578677.db2.gz BBVYQDRTHVPKJA-UHFFFAOYSA-N 0 3 393.443 3.910 20 5 GHBDHN COc1c(O)ccc(CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566319 843116700 /nfs/dbraw/zinc/11/67/00/843116700.db2.gz ARSKFARMCFYJPH-AEFFLSMTSA-N 0 3 390.411 3.800 20 5 GHBDHN COc1c([O-])ccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566319 843116704 /nfs/dbraw/zinc/11/67/04/843116704.db2.gz ARSKFARMCFYJPH-AEFFLSMTSA-N 0 3 390.411 3.800 20 5 GHBDHN COc1c([O-])ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566319 843116709 /nfs/dbraw/zinc/11/67/09/843116709.db2.gz ARSKFARMCFYJPH-AEFFLSMTSA-N 0 3 390.411 3.800 20 5 GHBDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433305326 843993281 /nfs/dbraw/zinc/99/32/81/843993281.db2.gz PSWYXZCBIMGNIY-JLTOFOAXSA-N 0 3 392.459 3.705 20 5 GHBDHN COc1ccccc1C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000512709834 845112072 /nfs/dbraw/zinc/11/20/72/845112072.db2.gz HHRNEFMQOGDPSM-SFHVURJKSA-N 0 3 384.432 3.677 20 5 GHBDHN CC[C@H]1CN(c2ccccc2)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501036949 846583210 /nfs/dbraw/zinc/58/32/10/846583210.db2.gz OLJZYKZBBVAEHY-KRWDZBQOSA-N 0 3 382.464 3.524 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H]1CCOc2c(Br)cccc21 ZINC000501576149 847032635 /nfs/dbraw/zinc/03/26/35/847032635.db2.gz RUGBJBPCMPEUKY-CQSZACIVSA-N 0 3 393.237 3.850 20 5 GHBDHN Cc1c(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000478429544 847089278 /nfs/dbraw/zinc/08/92/78/847089278.db2.gz KPCYFEIAPMHZCY-QGZVFWFLSA-N 0 3 388.493 3.601 20 5 GHBDHN C[C@@H]1C[C@]1(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000503377223 847651718 /nfs/dbraw/zinc/65/17/18/847651718.db2.gz NJQHDMUJSLALLA-XVGQJIODSA-N 0 3 376.840 3.513 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(F)c1 ZINC000479927436 847953103 /nfs/dbraw/zinc/95/31/03/847953103.db2.gz RAQIWSWAWXUUAV-LJQANCHMSA-N 0 3 393.846 3.550 20 5 GHBDHN CN1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[C@H]1c1ccccc1 ZINC000247964200 849081811 /nfs/dbraw/zinc/08/18/11/849081811.db2.gz DJSHWPYPWKWRFF-PZJWPPBQSA-N 0 3 394.475 3.714 20 5 GHBDHN Cc1c([C@@H](C)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000162950816 849738214 /nfs/dbraw/zinc/73/82/14/849738214.db2.gz OZDXUDDWQIHQHS-JKSUJKDBSA-N 0 3 397.475 3.972 20 5 GHBDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000458499504 849764864 /nfs/dbraw/zinc/76/48/64/849764864.db2.gz JUUULFCUDWFVKP-SFHVURJKSA-N 0 3 390.509 3.881 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000505589923 849998799 /nfs/dbraw/zinc/99/87/99/849998799.db2.gz CLCIKNQHYUFVMO-YRISNDGFSA-N 0 3 383.492 3.971 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000437948308 850332159 /nfs/dbraw/zinc/33/21/59/850332159.db2.gz BUFHSNWAJPQJKF-QGZVFWFLSA-N 0 3 395.381 3.516 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000437948304 850333240 /nfs/dbraw/zinc/33/32/40/850333240.db2.gz BUFHSNWAJPQJKF-KRWDZBQOSA-N 0 3 395.381 3.516 20 5 GHBDHN C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000519013702 850491105 /nfs/dbraw/zinc/49/11/05/850491105.db2.gz XRYUEZWFRLRGGS-INIZCTEOSA-N 0 3 396.491 3.792 20 5 GHBDHN CC[C@@H]1CN(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000487209951 850562259 /nfs/dbraw/zinc/56/22/59/850562259.db2.gz XHIQDTMOPHQGMO-OAHLLOKOSA-N 0 3 393.871 3.709 20 5 GHBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426540678 850612784 /nfs/dbraw/zinc/61/27/84/850612784.db2.gz SNHIRVCDDLFMFH-MRXNPFEDSA-N 0 3 385.464 3.540 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000517396567 851919592 /nfs/dbraw/zinc/91/95/92/851919592.db2.gz JINMFDYQVWMGQF-FQEVSTJZSA-N 0 3 399.491 3.880 20 5 GHBDHN CSc1ccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507639561 853119000 /nfs/dbraw/zinc/11/90/00/853119000.db2.gz WJUFPIAFIUZLOT-PBHICJAKSA-N 0 3 385.489 3.882 20 5 GHBDHN C[S@@](=O)C1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000441365432 854148128 /nfs/dbraw/zinc/14/81/28/854148128.db2.gz PVIUASMBCCEJDM-AREMUKBSSA-N 0 3 378.425 3.527 20 5 GHBDHN COc1cc(CN(C[C@H](C)c2ccccc2)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000588215069 854218765 /nfs/dbraw/zinc/21/87/65/854218765.db2.gz ZPGIUIGXTTYPEO-GJZGRUSLSA-N 0 3 376.428 3.729 20 5 GHBDHN CC(=O)c1ccc2c(c1)CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000550354408 854309833 /nfs/dbraw/zinc/30/98/33/854309833.db2.gz NVRCWPCWHUGYBT-UHFFFAOYSA-N 0 3 395.459 3.535 20 5 GHBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000458891194 854468126 /nfs/dbraw/zinc/46/81/26/854468126.db2.gz QTZKDSXYRBIRMJ-HNNXBMFYSA-N 0 3 388.443 3.568 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2Cc2ccccc2OC)c1 ZINC000589497586 854910116 /nfs/dbraw/zinc/91/01/16/854910116.db2.gz OOYONWNSEXINQH-GOSISDBHSA-N 0 3 384.432 3.597 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000131611450 855167777 /nfs/dbraw/zinc/16/77/77/855167777.db2.gz RIEMDFCPBLDYLI-UHFFFAOYSA-N 0 3 385.855 3.655 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H](C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000473991701 855522608 /nfs/dbraw/zinc/52/26/08/855522608.db2.gz DTILCACUMNCFLP-OAHLLOKOSA-N 0 3 398.459 3.876 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000553946548 855701937 /nfs/dbraw/zinc/70/19/37/855701937.db2.gz NGGHQKYXMUEJSL-GOSISDBHSA-N 0 3 391.855 3.599 20 5 GHBDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001272892963 855991797 /nfs/dbraw/zinc/99/17/97/855991797.db2.gz UPNYGSFZGWEAOC-IAGOWNOFSA-N 0 3 399.466 3.818 20 5 GHBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000153775666 856081502 /nfs/dbraw/zinc/08/15/02/856081502.db2.gz ISKLJJNNAUYSGC-ZDUSSCGKSA-N 0 3 391.855 3.728 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(CCOc3ccc(F)cc3)CC2)n1 ZINC000542864951 856217029 /nfs/dbraw/zinc/21/70/29/856217029.db2.gz PLJLKLZNAJJMFG-UHFFFAOYSA-N 0 3 388.443 3.701 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)N1CCc2ccccc2C1 ZINC000507913251 856660707 /nfs/dbraw/zinc/66/07/07/856660707.db2.gz JOGZMSHWLNDBIC-UHFFFAOYSA-N 0 3 383.492 3.920 20 5 GHBDHN Cn1cc(N2CCC[C@H](N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000245921287 857198023 /nfs/dbraw/zinc/19/80/23/857198023.db2.gz HAGMKMLSLMYARR-SIKLNZKXSA-N 0 3 391.475 3.676 20 5 GHBDHN CCc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000174215122 857227497 /nfs/dbraw/zinc/22/74/97/857227497.db2.gz XXZPQSOQXJYRNS-HXUWFJFHSA-N 0 3 396.491 3.679 20 5 GHBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000134227623 862903575 /nfs/dbraw/zinc/90/35/75/862903575.db2.gz JBZWKVULNAOSJG-UHFFFAOYSA-N 0 3 385.439 3.515 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000114642218 858146631 /nfs/dbraw/zinc/14/66/31/858146631.db2.gz HMHSGMGCGOFKLS-MRXNPFEDSA-N 0 3 385.489 3.711 20 5 GHBDHN C[C@H](N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594719186 858262206 /nfs/dbraw/zinc/26/22/06/858262206.db2.gz ZSALKOMUNKAXQI-IAOVAPTHSA-N 0 3 375.469 3.638 20 5 GHBDHN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885689 858335854 /nfs/dbraw/zinc/33/58/54/858335854.db2.gz HJXAMHWTFPVRBM-HNNXBMFYSA-N 0 3 386.448 3.923 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000595013324 858350515 /nfs/dbraw/zinc/35/05/15/858350515.db2.gz HCVYRZLYGLBGGQ-OLZOCXBDSA-N 0 3 376.844 3.581 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000543184103 858764021 /nfs/dbraw/zinc/76/40/21/858764021.db2.gz BFVQLFHNKCWWIJ-FQEVSTJZSA-N 0 3 388.489 3.890 20 5 GHBDHN NC(=O)c1cc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000596075602 858772778 /nfs/dbraw/zinc/77/27/78/858772778.db2.gz IEZSEAXXDOAKQM-SFHVURJKSA-N 0 3 388.855 3.596 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)Cc3ccccc3)cs2)c1 ZINC000522197457 858804677 /nfs/dbraw/zinc/80/46/77/858804677.db2.gz UVWQXYZAYYOMKH-INIZCTEOSA-N 0 3 383.473 3.659 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)Cc3ccccc3)cs2)c1 ZINC000522197458 858805210 /nfs/dbraw/zinc/80/52/10/858805210.db2.gz UVWQXYZAYYOMKH-MRXNPFEDSA-N 0 3 383.473 3.659 20 5 GHBDHN COc1ccc(C[C@@H](C)NCc2cn(Cc3ccccc3)cn2)c([N+](=O)[O-])c1 ZINC001170324130 881359817 /nfs/dbraw/zinc/35/98/17/881359817.db2.gz OLCSWDICINRTRK-MRXNPFEDSA-N 0 3 380.448 3.569 20 5 GHBDHN CCOC(=O)C1(CC)CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354022 881395249 /nfs/dbraw/zinc/39/52/49/881395249.db2.gz GWVBWFMPHMSUEB-HNNXBMFYSA-N 0 3 378.469 3.590 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000597092205 859279333 /nfs/dbraw/zinc/27/93/33/859279333.db2.gz JJVFHHVTHYFILX-GWCFXTLKSA-N 0 3 395.847 3.674 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129648536 859580808 /nfs/dbraw/zinc/58/08/08/859580808.db2.gz AMLCLAYEKDGOMH-APPDUMDISA-N 0 3 395.431 3.747 20 5 GHBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCCC1 ZINC000611200158 859647595 /nfs/dbraw/zinc/64/75/95/859647595.db2.gz BNZUTXYZUYUTSO-AWEZNQCLSA-N 0 3 377.510 3.844 20 5 GHBDHN C[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543429105 859685485 /nfs/dbraw/zinc/68/54/85/859685485.db2.gz HUZIDECHLOFLDY-UONOGXRCSA-N 0 3 394.518 3.941 20 5 GHBDHN CCOc1cc(N2CCN(CCCCC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000499800442 859836423 /nfs/dbraw/zinc/83/64/23/859836423.db2.gz SYGMXAJQCVFMOV-UHFFFAOYSA-N 0 3 391.512 3.712 20 5 GHBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](CN1CCCCC1)c1ccccc1 ZINC000593447743 859837705 /nfs/dbraw/zinc/83/77/05/859837705.db2.gz JDHUKSSUNRLJSI-LJQANCHMSA-N 0 3 385.439 3.620 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNc3cccc(CN4CCSCC4)c3)nc2c1 ZINC000602490404 860055907 /nfs/dbraw/zinc/05/59/07/860055907.db2.gz JBIYNXOKKVTYMK-UHFFFAOYSA-N 0 3 384.461 3.897 20 5 GHBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(N2CCNC2=O)cc1 ZINC000842899262 860071795 /nfs/dbraw/zinc/07/17/95/860071795.db2.gz CZFZKPLAVNGZMI-VBKZILBWSA-N 0 3 380.448 3.853 20 5 GHBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000598342722 860231891 /nfs/dbraw/zinc/23/18/91/860231891.db2.gz PQZROCFTMWKWTB-AWEZNQCLSA-N 0 3 377.510 3.844 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093684869 860331377 /nfs/dbraw/zinc/33/13/77/860331377.db2.gz USBXABDALIMGDY-WHWKNOJMSA-N 0 3 399.413 3.731 20 5 GHBDHN COC(=O)c1cc(NC[C@@H](c2ccc(C)o2)N2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000474780875 860765505 /nfs/dbraw/zinc/76/55/05/860765505.db2.gz TYPKCSJTZOSMTH-KRWDZBQOSA-N 0 3 387.436 3.840 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000734002715 863913595 /nfs/dbraw/zinc/91/35/95/863913595.db2.gz UFLKOOWPHIFGPS-LJQANCHMSA-N 0 3 381.473 3.632 20 5 GHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000155196594 881782994 /nfs/dbraw/zinc/78/29/94/881782994.db2.gz BWFUJNUEASALOV-UHFFFAOYSA-N 0 3 389.452 3.578 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)c1C ZINC000897371739 881886526 /nfs/dbraw/zinc/88/65/26/881886526.db2.gz DDVNVDSHUFOXHF-UHFFFAOYSA-N 0 3 397.475 3.593 20 5 GHBDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000054295105 866636882 /nfs/dbraw/zinc/63/68/82/866636882.db2.gz VIHDZHBYWKIATO-UHFFFAOYSA-N 0 3 395.459 3.827 20 5 GHBDHN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000186693652 866637129 /nfs/dbraw/zinc/63/71/29/866637129.db2.gz ZDZOZZDKXDRVLE-LIRRHRJNSA-N 0 3 399.447 3.824 20 5 GHBDHN CCCN(C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553028437 866649799 /nfs/dbraw/zinc/64/97/99/866649799.db2.gz KQYGDNZUMCNPLA-QGZVFWFLSA-N 0 3 390.871 3.643 20 5 GHBDHN Cc1c(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000478803804 866673955 /nfs/dbraw/zinc/67/39/55/866673955.db2.gz GMEWDNAEXSMKHO-UHFFFAOYSA-N 0 3 396.491 3.539 20 5 GHBDHN NC(=O)CCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC000122104196 866814776 /nfs/dbraw/zinc/81/47/76/866814776.db2.gz GBXFEWDMBMLSOG-UHFFFAOYSA-N 0 3 379.416 3.732 20 5 GHBDHN C[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)OC(C)(C)C ZINC000793222574 882020134 /nfs/dbraw/zinc/02/01/34/882020134.db2.gz CIGAVDGDUDZWBI-CYBMUJFWSA-N 0 3 375.425 3.858 20 5 GHBDHN O=C(CN(CC1CC1)CC1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000440462097 866889483 /nfs/dbraw/zinc/88/94/83/866889483.db2.gz IZJSNYRUIMRHSY-UHFFFAOYSA-N 0 3 386.477 3.779 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000553152611 866889835 /nfs/dbraw/zinc/88/98/35/866889835.db2.gz ZMJZSCCJJMEATB-UHFFFAOYSA-N 0 3 388.512 3.533 20 5 GHBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000128233602 867034540 /nfs/dbraw/zinc/03/45/40/867034540.db2.gz PFEFCOFERPWDQO-KGLIPLIRSA-N 0 3 396.394 3.675 20 5 GHBDHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N(CCN1CCCC1)c1ccccc1 ZINC000523541067 867532714 /nfs/dbraw/zinc/53/27/14/867532714.db2.gz ZVEJPXGZRKVEMB-UHFFFAOYSA-N 0 3 378.432 3.819 20 5 GHBDHN CN1CCC(NC(=S)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000743062249 867810447 /nfs/dbraw/zinc/81/04/47/867810447.db2.gz XKBWIPPRXDBHNY-UHFFFAOYSA-N 0 3 384.505 3.570 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000535367747 868636444 /nfs/dbraw/zinc/63/64/44/868636444.db2.gz TWGYNYNGQGNIQI-CRAIPNDOSA-N 0 3 392.459 3.570 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2CNCc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000479883688 868678795 /nfs/dbraw/zinc/67/87/95/868678795.db2.gz FVPUYQBJIPDOAA-HZPDHXFCSA-N 0 3 387.455 3.633 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)cc1 ZINC000524268509 868818058 /nfs/dbraw/zinc/81/80/58/868818058.db2.gz NMQVYYDBBRGMEU-NRFANRHFSA-N 0 3 392.459 3.951 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CN1C1CC1 ZINC000440922675 869263755 /nfs/dbraw/zinc/26/37/55/869263755.db2.gz CWACZUIPMIZALW-HUUCEWRRSA-N 0 3 381.432 3.742 20 5 GHBDHN C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000508854557 869349688 /nfs/dbraw/zinc/34/96/88/869349688.db2.gz SNSHYVQJCQTFRI-HNAYVOBHSA-N 0 3 384.480 3.821 20 5 GHBDHN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001192535741 870495527 /nfs/dbraw/zinc/49/55/27/870495527.db2.gz IXMBZWNILFAAJX-QFIPXVFZSA-N 0 3 394.475 3.784 20 5 GHBDHN CC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000540186129 870703957 /nfs/dbraw/zinc/70/39/57/870703957.db2.gz MQSFVRXZVVBQIA-BVOGOJNSSA-N 0 3 379.460 3.793 20 5 GHBDHN Cn1c(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2cccc(Cl)c21 ZINC000775559726 870805146 /nfs/dbraw/zinc/80/51/46/870805146.db2.gz ZSUFUBRYDNTABH-UHFFFAOYSA-N 0 3 399.882 3.894 20 5 GHBDHN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NS(=O)(=O)C[C@H]1CCCO1 ZINC001193273544 870995467 /nfs/dbraw/zinc/99/54/67/870995467.db2.gz DVUIBVIDAYWZLG-GOSISDBHSA-N 0 3 399.516 3.683 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181872517 871583059 /nfs/dbraw/zinc/58/30/59/871583059.db2.gz BWHHPGQEHLAZRG-INIZCTEOSA-N 0 3 382.464 3.793 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccccc2OC(F)(F)F)n1 ZINC000447536384 871801548 /nfs/dbraw/zinc/80/15/48/871801548.db2.gz MUNPLIZQECYMCV-KBPBESRZSA-N 0 3 384.358 3.963 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cc(Cl)cc3c2OCC3)n1 ZINC000447598602 871912119 /nfs/dbraw/zinc/91/21/19/871912119.db2.gz VXCFOQPRWAMOTF-JKSUJKDBSA-N 0 3 376.844 3.653 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2sccc2Br)n1 ZINC000447578206 871925508 /nfs/dbraw/zinc/92/55/08/871925508.db2.gz DKAOALROIGTDRP-NEPJUHHUSA-N 0 3 385.287 3.889 20 5 GHBDHN CC[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552577635 872845127 /nfs/dbraw/zinc/84/51/27/872845127.db2.gz APNWYMBCWSAPSW-CMKODMSKSA-N 0 3 389.402 3.886 20 5 GHBDHN Cc1c(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000478429543 872980905 /nfs/dbraw/zinc/98/09/05/872980905.db2.gz KPCYFEIAPMHZCY-KRWDZBQOSA-N 0 3 388.493 3.601 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3N3CCCCC3)C2)nc1 ZINC000769461873 874086890 /nfs/dbraw/zinc/08/68/90/874086890.db2.gz AFYFJNXUFDRDEF-GOSISDBHSA-N 0 3 381.480 3.667 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1CN1CCOCC1)CCC2 ZINC000192616175 882819193 /nfs/dbraw/zinc/81/91/93/882819193.db2.gz KFERBEBKXPAUSO-QFIPXVFZSA-N 0 3 381.476 3.594 20 5 GHBDHN CC(C)CN1CCO[C@@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409501 875674915 /nfs/dbraw/zinc/67/49/15/875674915.db2.gz HUKODKIUCQQPBG-FCHUYYIVSA-N 0 3 383.492 3.631 20 5 GHBDHN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785574991 876137677 /nfs/dbraw/zinc/13/76/77/876137677.db2.gz QVMRRQODVZVRIY-ZSEKCTLFSA-N 0 3 396.399 3.795 20 5 GHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450457432 876462466 /nfs/dbraw/zinc/46/24/66/876462466.db2.gz VLUTUYAVKCMZCK-JXFKEZNVSA-N 0 3 377.448 3.667 20 5 GHBDHN COc1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000450854724 877013537 /nfs/dbraw/zinc/01/35/37/877013537.db2.gz GPGYHTRRZKMUAD-JLZZUVOBSA-N 0 3 398.406 3.642 20 5 GHBDHN CC([C@@H](OC(=O)CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000851109272 877415985 /nfs/dbraw/zinc/41/59/85/877415985.db2.gz WNAYMPOQCVGRJF-MLGOLLRUSA-N 0 3 396.415 3.523 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610128080 877441785 /nfs/dbraw/zinc/44/17/85/877441785.db2.gz YUFLWSKSQDOYOB-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179783029 878015529 /nfs/dbraw/zinc/01/55/29/878015529.db2.gz PHVSLBACSICEJZ-INIZCTEOSA-N 0 3 393.390 3.951 20 5 GHBDHN CC(C)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000852732202 878562544 /nfs/dbraw/zinc/56/25/44/878562544.db2.gz RVEICXVHUFOSCQ-OALUTQOASA-N 0 3 391.855 3.535 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000520064978 879452010 /nfs/dbraw/zinc/45/20/10/879452010.db2.gz SKHACTDHIAYIKF-HXUWFJFHSA-N 0 3 384.480 3.514 20 5 GHBDHN C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000494049521 879855639 /nfs/dbraw/zinc/85/56/39/879855639.db2.gz NQHYVGBSBZNDPL-IFXJQAMLSA-N 0 3 387.867 3.570 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)c1 ZINC000556970273 881263194 /nfs/dbraw/zinc/26/31/94/881263194.db2.gz UWJURXCRKNRNTM-SFHVURJKSA-N 0 3 391.493 3.868 20 5 GHBDHN CN(C)C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000859845593 884118157 /nfs/dbraw/zinc/11/81/57/884118157.db2.gz YNMVGQQDRMWQHT-QZTJIDSGSA-N 0 3 398.290 3.828 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1 ZINC000428548761 884556156 /nfs/dbraw/zinc/55/61/56/884556156.db2.gz PAVLUYJHWJQFBF-VQIMIIECSA-N 0 3 396.365 3.591 20 5 GHBDHN COCC[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000495433472 885756306 /nfs/dbraw/zinc/75/63/06/885756306.db2.gz OCWAPYNTSLWBES-SUMWQHHRSA-N 0 3 375.425 3.581 20 5 GHBDHN CC[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCc2ccccc2C1 ZINC000536508880 886624516 /nfs/dbraw/zinc/62/45/16/886624516.db2.gz WJJFVARMLLUKHA-KRWDZBQOSA-N 0 3 392.459 3.643 20 5 GHBDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459307431 887236083 /nfs/dbraw/zinc/23/60/83/887236083.db2.gz OBOANVWNXKQLOE-UHFFFAOYSA-N 0 3 382.873 3.905 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)c(Br)c1 ZINC000796111350 913288571 /nfs/dbraw/zinc/28/85/71/913288571.db2.gz DNJTXWXUPKQQHA-KRWDZBQOSA-N 0 3 397.244 3.704 20 5 GHBDHN CCc1ccc([C@@H]2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000814225763 892418166 /nfs/dbraw/zinc/41/81/66/892418166.db2.gz WPAADPOYDUYPEY-LJQANCHMSA-N 0 3 377.448 3.863 20 5 GHBDHN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000498012359 892948419 /nfs/dbraw/zinc/94/84/19/892948419.db2.gz NSJNTBWNZMPPRT-APWZRJJASA-N 0 3 397.475 3.901 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498188724 893528836 /nfs/dbraw/zinc/52/88/36/893528836.db2.gz YAFOAUABWIYFDU-DOTOQJQBSA-N 0 3 390.443 3.708 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000054151602 893680182 /nfs/dbraw/zinc/68/01/82/893680182.db2.gz ICGUMWHDPJQUTL-IBGZPJMESA-N 0 3 389.427 3.555 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000536831178 893940422 /nfs/dbraw/zinc/94/04/22/893940422.db2.gz GCXAHQOMRXIYFR-ZWKOTPCHSA-N 0 3 399.516 3.856 20 5 GHBDHN C[C@@H](NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555880 893995309 /nfs/dbraw/zinc/99/53/09/893995309.db2.gz JNKHWWXAHSVBEA-IXDOHACOSA-N 0 3 398.507 3.637 20 5 GHBDHN CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000563840357 894247540 /nfs/dbraw/zinc/24/75/40/894247540.db2.gz GRATYPKSHLNDQM-KBAYOESNSA-N 0 3 386.452 3.670 20 5 GHBDHN C[C@H]1C[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CN1C1CC1 ZINC000564526692 895054377 /nfs/dbraw/zinc/05/43/77/895054377.db2.gz FCXXBAJCMOFTRU-DTWKUNHWSA-N 0 3 380.317 3.681 20 5 GHBDHN O=C(C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)NCc1ccc(F)cc1 ZINC000564916819 895308986 /nfs/dbraw/zinc/30/89/86/895308986.db2.gz TZYIZEIRVYGXOF-GOSISDBHSA-N 0 3 385.439 3.652 20 5 GHBDHN C[C@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000565307921 895521647 /nfs/dbraw/zinc/52/16/47/895521647.db2.gz OZJMKYQNKVYJHQ-BTYIYWSLSA-N 0 3 385.439 3.618 20 5 GHBDHN Cc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(OCC(F)(F)F)c1 ZINC000819147069 896402175 /nfs/dbraw/zinc/40/21/75/896402175.db2.gz NJADJUKMKLCVNA-INIZCTEOSA-N 0 3 384.354 3.668 20 5 GHBDHN Cn1nccc1[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000825046228 899950966 /nfs/dbraw/zinc/95/09/66/899950966.db2.gz RDJONUUJBDZHCZ-IUODEOHRSA-N 0 3 385.251 3.645 20 5 GHBDHN CC(C)(C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000572428681 900184118 /nfs/dbraw/zinc/18/41/18/900184118.db2.gz IAVKGQYQZRZKJZ-GOSISDBHSA-N 0 3 381.476 3.653 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000574348027 900853876 /nfs/dbraw/zinc/85/38/76/900853876.db2.gz PLPBKNVWBUTXSF-RLFYNMQTSA-N 0 3 391.537 3.898 20 5 GHBDHN O=[N+]([O-])c1cccc(CCNCc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000157996755 900941202 /nfs/dbraw/zinc/94/12/02/900941202.db2.gz MTVRZHKCELXHEK-UHFFFAOYSA-N 0 3 383.429 3.779 20 5 GHBDHN COC[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000575090007 901116305 /nfs/dbraw/zinc/11/63/05/901116305.db2.gz ILEOLGLMCWAOMA-FZKQIMNGSA-N 0 3 391.855 3.943 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826497723 901302498 /nfs/dbraw/zinc/30/24/98/901302498.db2.gz RROQSKSWDNLOGY-KRWDZBQOSA-N 0 3 398.854 3.638 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826497723 901302553 /nfs/dbraw/zinc/30/25/53/901302553.db2.gz RROQSKSWDNLOGY-KRWDZBQOSA-N 0 3 398.854 3.638 20 5 GHBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000093442321 901547203 /nfs/dbraw/zinc/54/72/03/901547203.db2.gz KCOYVLVCGPERHE-FQEVSTJZSA-N 0 3 380.448 3.551 20 5 GHBDHN CCCN(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000576536969 902081690 /nfs/dbraw/zinc/08/16/90/902081690.db2.gz KXJWDDPPTVWVQU-LJQANCHMSA-N 0 3 389.883 3.990 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000576773859 902251125 /nfs/dbraw/zinc/25/11/25/902251125.db2.gz RHXNCFRBDTXFSY-WMZOPIPTSA-N 0 3 381.476 3.652 20 5 GHBDHN COc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])ccc1OC(F)F ZINC000845873652 902475304 /nfs/dbraw/zinc/47/53/04/902475304.db2.gz VOFVOTWEAHDFKR-QLJPJBMISA-N 0 3 399.321 3.999 20 5 GHBDHN COc1cc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845873948 902478185 /nfs/dbraw/zinc/47/81/85/902478185.db2.gz FNOHASKKSUYYQK-XIKOKIGWSA-N 0 3 377.368 3.715 20 5 GHBDHN CC([C@H](OC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876011 902480796 /nfs/dbraw/zinc/48/07/96/902480796.db2.gz MPHOTVWTOPWCRU-KMUNFCNLSA-N 0 3 380.397 3.697 20 5 GHBDHN COc1cccc(CO[C@H](C)C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845880540 902483717 /nfs/dbraw/zinc/48/37/17/902483717.db2.gz ZYSHZESSTSYGNL-IQUTYRLHSA-N 0 3 391.395 3.689 20 5 GHBDHN CC([C@@H](OC(=O)COCc1cccc(Cl)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845882939 902487873 /nfs/dbraw/zinc/48/78/73/902487873.db2.gz XGKRJZXFCCVYGG-KPZWWZAWSA-N 0 3 381.787 3.945 20 5 GHBDHN CC([C@@H](OC(=O)CCc1ncc(C(C)(C)C)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845882994 902488126 /nfs/dbraw/zinc/48/81/26/902488126.db2.gz QQWIHZHTENRGHY-KPZWWZAWSA-N 0 3 378.400 3.994 20 5 GHBDHN O=C1[C@@H](N[C@H](c2ccc(F)cc2)C2CCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303387153 914726255 /nfs/dbraw/zinc/72/62/55/914726255.db2.gz MUJDWVSCODBVRE-PMACEKPBSA-N 0 3 383.423 3.970 20 5 GHBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000141793138 903956137 /nfs/dbraw/zinc/95/61/37/903956137.db2.gz BFUWOCSJXXSUQW-AWEZNQCLSA-N 0 3 394.903 3.526 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NCc1nc(Br)cs1)CC2 ZINC001172905706 905929106 /nfs/dbraw/zinc/92/91/06/905929106.db2.gz JRSSOMNVZRXOIL-LBPRGKRZSA-N 0 3 382.283 3.851 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c1F ZINC001173191980 906275740 /nfs/dbraw/zinc/27/57/40/906275740.db2.gz GVDZRHZMJPNJJO-YESZJQIVSA-N 0 3 399.466 3.742 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001173238970 906350399 /nfs/dbraw/zinc/35/03/99/906350399.db2.gz YVPQJSSDKWMHBN-KXBFYZLASA-N 0 3 380.448 3.648 20 5 GHBDHN Cc1nn(C)c2nc(Cl)c(CNCCc3ccc(Cl)cc3[N+](=O)[O-])cc12 ZINC001178327008 909018953 /nfs/dbraw/zinc/01/89/53/909018953.db2.gz UTEONBRSLOFUAK-UHFFFAOYSA-N 0 3 394.262 3.824 20 5 GHBDHN COc1cc(CN2CCC[C@H](O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000294021066 916532497 /nfs/dbraw/zinc/53/24/97/916532497.db2.gz NNFAZIZVSAFHMP-IBGZPJMESA-N 0 3 386.448 3.529 20 5 GHBDHN COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000295600596 917375614 /nfs/dbraw/zinc/37/56/14/917375614.db2.gz CUJUAWROZDWBOA-KBPBESRZSA-N 0 3 387.436 3.680 20 5 GHBDHN CC[C@@H]1c2ccsc2CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335495 919538116 /nfs/dbraw/zinc/53/81/16/919538116.db2.gz TXNIZOYJQKMJOA-OAHLLOKOSA-N 0 3 387.461 3.964 20 5 GHBDHN COc1cc(CNCCC2SCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000827668590 925917018 /nfs/dbraw/zinc/91/70/18/925917018.db2.gz NYCGGHUWUXXIDQ-UHFFFAOYSA-N 0 3 394.465 3.533 20 5 GHBDHN COC(=O)/C=C/c1ccc(NC[C@@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000725791431 926438831 /nfs/dbraw/zinc/43/88/31/926438831.db2.gz UOPQHDULOYMDBB-VQFGERMISA-N 0 3 399.447 3.931 20 5 GHBDHN CC(C)(C)[C@@H](NCN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000726585977 926744806 /nfs/dbraw/zinc/74/48/06/926744806.db2.gz CXJWXXBXQRJCAA-IBGZPJMESA-N 0 3 396.447 3.698 20 5 GHBDHN Cc1nc(NCc2cccc([N+](=O)[O-])c2)cc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000751874520 928442340 /nfs/dbraw/zinc/44/23/40/928442340.db2.gz JAHQEUYLLBAKGB-UHFFFAOYSA-N 0 3 394.391 3.826 20 5 GHBDHN COCC[C@H]1CCCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000467268034 928896043 /nfs/dbraw/zinc/89/60/43/928896043.db2.gz IBDRYSMNGUKDFH-CYBMUJFWSA-N 0 3 388.411 3.843 20 5 GHBDHN COc1ccc(OC(=O)C2(C)CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000757812115 929809397 /nfs/dbraw/zinc/80/93/97/929809397.db2.gz FSWHQTYIYRSOSF-UHFFFAOYSA-N 0 3 384.432 3.811 20 5 GHBDHN O=C1NC(=O)C2(CCN(Cc3c4ccccc4c(Cl)c4ccccc43)CC2)N1 ZINC000780892868 930630659 /nfs/dbraw/zinc/63/06/59/930630659.db2.gz PQNGGLMEAZOQDO-UHFFFAOYSA-N 0 3 393.874 3.820 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000470950253 931053211 /nfs/dbraw/zinc/05/32/11/931053211.db2.gz XKILXODSZTUONC-UHFFFAOYSA-N 0 3 397.475 3.730 20 5 GHBDHN CC(C)C1CCC(N2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC2)CC1 ZINC000557425858 931419377 /nfs/dbraw/zinc/41/93/77/931419377.db2.gz YXZVOPJSHFWOAU-UHFFFAOYSA-N 0 3 399.495 3.580 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccco1 ZINC000557485878 931465404 /nfs/dbraw/zinc/46/54/04/931465404.db2.gz DKYZHUFOIYMNOI-JSGCOSHPSA-N 0 3 377.466 3.769 20 5 GHBDHN C[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](n2cncn2)C1 ZINC000559899960 932934609 /nfs/dbraw/zinc/93/46/09/932934609.db2.gz GTQCAVPHDUMACY-XFBWCDHKSA-N 0 3 383.374 3.725 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Cl)cc2)CC1 ZINC001118860056 934269310 /nfs/dbraw/zinc/26/93/10/934269310.db2.gz POHYSNLBTMAKTN-UHFFFAOYSA-N 0 3 388.855 3.642 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787813222 1014923091 /nfs/dbraw/zinc/92/30/91/1014923091.db2.gz UJNOJYWBOOSJTH-CZUORRHYSA-N 0 3 388.855 3.890 20 5 GHBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)cn1C ZINC000468100571 1015264613 /nfs/dbraw/zinc/26/46/13/1015264613.db2.gz LQHSFEIYXGQLJQ-UHFFFAOYSA-N 0 3 382.258 3.597 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c2cccnc21 ZINC000577563979 1020245135 /nfs/dbraw/zinc/24/51/35/1020245135.db2.gz LUMRLCOPBBOQAX-SFHVURJKSA-N 0 3 393.443 3.813 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000749074648 1021742211 /nfs/dbraw/zinc/74/22/11/1021742211.db2.gz RBGOIAGQVCMNFG-GHTZIAJQSA-N 0 3 379.460 3.589 20 5 GHBDHN CN(C)c1nc(Cl)c(CNCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC001205008244 1033205997 /nfs/dbraw/zinc/20/59/97/1033205997.db2.gz SXAQVUFPNBADJZ-UHFFFAOYSA-N 0 3 375.281 3.756 20 5 GHBDHN COC(=O)c1c(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cccc1[N+](=O)[O-] ZINC001229050151 1033250515 /nfs/dbraw/zinc/25/05/15/1033250515.db2.gz WIXWCGQIFNPEJB-LFUKPOHLSA-N 0 3 396.443 3.671 20 5 GHBDHN Cc1nc(-n2c3ccccc3nc2[C@@H](C)N)c([N+](=O)[O-])c(C)c1Br ZINC001162778006 1025915530 /nfs/dbraw/zinc/91/55/30/1025915530.db2.gz WZGPQVAFPQQXLV-SECBINFHSA-N 0 3 390.241 3.728 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3CSCCN3Cc3ccccc3)nc2c1 ZINC001163037513 1026021207 /nfs/dbraw/zinc/02/12/07/1026021207.db2.gz UFGIAIPSJLGIBN-INIZCTEOSA-N 0 3 383.477 3.501 20 5 GHBDHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3c4ccccc4cc4ccccc43)C[C@H]21 ZINC001141724552 1026348007 /nfs/dbraw/zinc/34/80/07/1026348007.db2.gz JWYXHJCUMJINTL-YFNKSVMNSA-N 0 3 388.511 3.966 20 5 GHBDHN COc1cc(C[NH2+]CCc2cccc(Br)c2C)c([N+](=O)[O-])cc1[O-] ZINC001461749881 1069722533 /nfs/dbraw/zinc/72/25/33/1069722533.db2.gz MPOQTEBDXTVWPQ-UHFFFAOYSA-N 0 3 395.253 3.712 20 5 GHBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC2=NCCC2)cc1 ZINC001152593166 1031291632 /nfs/dbraw/zinc/29/16/32/1031291632.db2.gz WJLSWWBYJKRKNQ-UHFFFAOYSA-N 0 3 386.839 3.825 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225888477 1031676615 /nfs/dbraw/zinc/67/66/15/1031676615.db2.gz BXIAVFKIHGERIS-ACJLOTCBSA-N 0 3 389.383 3.932 20 5 GHBDHN O=c1oc2cc(O[C@H]3CC[C@@H](N4CCOCC4)CC3)ccc2c2ccccc21 ZINC001226514099 1031991895 /nfs/dbraw/zinc/99/18/95/1031991895.db2.gz HWATXBVMUQTNCL-CALCHBBNSA-N 0 3 379.456 3.968 20 5 GHBDHN COc1cc(C)nc(N(Cc2ccc(F)cc2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC001158448992 1034083187 /nfs/dbraw/zinc/08/31/87/1034083187.db2.gz LMFWWSFKPMWXPW-UHFFFAOYSA-N 0 3 388.443 3.547 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001207138081 1034120912 /nfs/dbraw/zinc/12/09/12/1034120912.db2.gz QRDHWTTYMIAKOE-NRFANRHFSA-N 0 3 398.463 3.780 20 5 GHBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4cccc([N+](=O)[O-])c4)cc3)C[C@H]1N2C ZINC001230941259 1034299398 /nfs/dbraw/zinc/29/93/98/1034299398.db2.gz OFQBAPXUJVTNCF-VXSCBNMQSA-N 0 3 396.443 3.807 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(NC2CCN(Cc3ccc(O)cc3)CC2)nc1Cl ZINC001161130834 1035152131 /nfs/dbraw/zinc/15/21/31/1035152131.db2.gz DTIJDOMYKKZYBN-UHFFFAOYSA-N 0 3 376.844 3.734 20 5 GHBDHN c1cnc2c(c1)ccc1ccc(CN3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)nc12 ZINC001232221910 1035170006 /nfs/dbraw/zinc/17/00/06/1035170006.db2.gz MIEKOOVDMWCEPO-QPPBQGQZSA-N 0 3 389.499 3.943 20 5 GHBDHN CCOc1cc(N2CCN(C[C@@H]3CCc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001462184560 1070062346 /nfs/dbraw/zinc/06/23/46/1070062346.db2.gz GMFCBAXOTJENIW-SFHVURJKSA-N 0 3 381.476 3.846 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1(F)CCN(C(=O)OC(C)(C)C)CC1 ZINC001254531644 1040302456 /nfs/dbraw/zinc/30/24/56/1040302456.db2.gz GEYOPFGWGJUXDP-HNNXBMFYSA-N 0 3 395.475 3.855 20 5 GHBDHN COc1ccccc1Cn1cnc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254545325 1040314415 /nfs/dbraw/zinc/31/44/15/1040314415.db2.gz LYGYSAFNQXEUBD-MRXNPFEDSA-N 0 3 380.448 3.569 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001254558252 1040327456 /nfs/dbraw/zinc/32/74/56/1040327456.db2.gz UBWSEGCAZJUWBC-PBEJRMEISA-N 0 3 399.466 3.502 20 5 GHBDHN COc1cc(N2CCC(NCc3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-] ZINC001256086025 1041515736 /nfs/dbraw/zinc/51/57/36/1041515736.db2.gz UWCAGGRPFIANLU-UHFFFAOYSA-N 0 3 377.391 3.640 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001292110061 1043596573 /nfs/dbraw/zinc/59/65/73/1043596573.db2.gz QYBNSEUKGQECBA-YOEHRIQHSA-N 0 3 387.867 3.742 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001297734535 1045613571 /nfs/dbraw/zinc/61/35/71/1045613571.db2.gz XFZKJJWRJLQICV-HNNXBMFYSA-N 0 3 397.903 3.740 20 5 GHBDHN CC[C@H](C)N[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)c1ccco1 ZINC001307118570 1049087338 /nfs/dbraw/zinc/08/73/38/1049087338.db2.gz MVANJWHDRBTYLB-BBRMVZONSA-N 0 3 375.425 3.824 20 5 GHBDHN CC[C@H]1CN(C)c2ccccc2CN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001307524528 1049369868 /nfs/dbraw/zinc/36/98/68/1049369868.db2.gz KWLAUHHUEMOXQO-KRWDZBQOSA-N 0 3 385.464 3.713 20 5 GHBDHN O=C(OC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC001307745897 1049557289 /nfs/dbraw/zinc/55/72/89/1049557289.db2.gz GCGKRMWBPLQZSU-LJQANCHMSA-N 0 3 375.469 3.614 20 5 GHBDHN COc1cc(C[NH2+]CCc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC001308214098 1049914874 /nfs/dbraw/zinc/91/48/74/1049914874.db2.gz LOGCSMIYSSKAAT-UHFFFAOYSA-N 0 3 385.464 3.632 20 5 GHBDHN COc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC000903079707 1049958475 /nfs/dbraw/zinc/95/84/75/1049958475.db2.gz NRQILEVVEGBABP-HOTGVXAUSA-N 0 3 385.464 3.852 20 5 GHBDHN C[C@H]1COC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001308531322 1050000465 /nfs/dbraw/zinc/00/04/65/1050000465.db2.gz SUSBJKKJWAEKDE-ZUZCIYMTSA-N 0 3 381.226 3.742 20 5 GHBDHN Cc1c(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259131 1051973144 /nfs/dbraw/zinc/97/31/44/1051973144.db2.gz UHPJWLBURBJHDX-RFAUZJTJSA-N 0 3 386.374 3.526 20 5 GHBDHN Cc1ccc(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001311712037 1052349782 /nfs/dbraw/zinc/34/97/82/1052349782.db2.gz IUGVYZICCRLEHV-APWZRJJASA-N 0 3 382.464 3.538 20 5 GHBDHN COC(=O)N1CCC[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001319835140 1055496958 /nfs/dbraw/zinc/49/69/58/1055496958.db2.gz VNOMMRAMFDCMFN-CYBMUJFWSA-N 0 3 393.827 3.829 20 5 GHBDHN COCC[C@@]1(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCOC1 ZINC001320869478 1055993661 /nfs/dbraw/zinc/99/36/61/1055993661.db2.gz MKQKYGXZIPYAKJ-GOSISDBHSA-N 0 3 380.828 3.793 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC001200750127 1056888183 /nfs/dbraw/zinc/88/81/83/1056888183.db2.gz DUGGVVYTAKKBOI-UHFFFAOYSA-N 0 3 398.507 3.818 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC001450127509 1060538662 /nfs/dbraw/zinc/53/86/62/1060538662.db2.gz KRYKINOETVSWKX-GOSISDBHSA-N 0 3 387.505 3.966 20 5 GHBDHN CN(C)C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC001450686372 1060654594 /nfs/dbraw/zinc/65/45/94/1060654594.db2.gz CLMAPOBPPMMJDM-GOSISDBHSA-N 0 3 393.846 3.739 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001454409362 1061770124 /nfs/dbraw/zinc/77/01/24/1061770124.db2.gz VJIDXFTZLLZHPD-KXBFYZLASA-N 0 3 392.459 3.717 20 5 GHBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001466716433 1066273333 /nfs/dbraw/zinc/27/33/33/1066273333.db2.gz HXUPIOUNOOJAJO-MRXNPFEDSA-N 0 3 383.448 3.990 20 5 GHBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001358423372 1067519436 /nfs/dbraw/zinc/51/94/36/1067519436.db2.gz BUJXACWCTNAJMH-HNNXBMFYSA-N 0 3 387.867 3.700 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)COc3ccc4cc[nH]c4c3)C2)cc1 ZINC001460134805 1068803708 /nfs/dbraw/zinc/80/37/08/1068803708.db2.gz YNOJBDDBUYONNL-ICSRJNTNSA-N 0 3 395.459 3.695 20 5 GHBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001471688014 1073180670 /nfs/dbraw/zinc/18/06/70/1073180670.db2.gz YMJMTBRIZCFFQB-RTBURBONSA-N 0 3 381.432 3.696 20 5 GHBDHN CCc1ccc([C@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])N(C)C)cc1 ZINC001472635494 1073588745 /nfs/dbraw/zinc/58/87/45/1073588745.db2.gz VRCKXTHMMHQIRS-IBGZPJMESA-N 0 3 394.475 3.724 20 5 GHBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)[C@H]1OC ZINC001473448340 1073968327 /nfs/dbraw/zinc/96/83/27/1073968327.db2.gz TWHDLCUAJKNIFD-SSKCKEOISA-N 0 3 383.876 3.616 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001473451051 1073969220 /nfs/dbraw/zinc/96/92/20/1073969220.db2.gz CQLLSOGOPAIXMB-PMUMKWKESA-N 0 3 393.484 3.727 20 5 GHBDHN CC(C)(C)OC(=O)N1CC2CC1(CNCc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001474637694 1074494192 /nfs/dbraw/zinc/49/41/92/1074494192.db2.gz IPMIPUCDKZYCDI-UHFFFAOYSA-N 0 3 381.860 3.737 20 5 GHBDHN CO[C@@H](CNCc1ccc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC001474686042 1074514436 /nfs/dbraw/zinc/51/44/36/1074514436.db2.gz KKLKNLWCDCPXKZ-MRXNPFEDSA-N 0 3 379.254 3.705 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825125494 608493312 /nfs/dbraw/zinc/49/33/12/608493312.db2.gz CNWHPXOFKSJABK-BBRMVZONSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825125494 608493314 /nfs/dbraw/zinc/49/33/14/608493314.db2.gz CNWHPXOFKSJABK-BBRMVZONSA-N 0 3 398.492 3.996 20 5 GHBDHN COc1ccccc1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000165411571 834848961 /nfs/dbraw/zinc/84/89/61/834848961.db2.gz ZNAMQCUSKQVQLT-UHFFFAOYSA-N 0 3 383.448 3.905 20 5 GHBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H](c1ccccc1)N(C)C ZINC000471135253 834887874 /nfs/dbraw/zinc/88/78/74/834887874.db2.gz BDBVQSXVRQVTPW-VLIAUNLRSA-N 0 3 378.432 3.564 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000179940544 836409558 /nfs/dbraw/zinc/40/95/58/836409558.db2.gz CXSYWIZYIOYEQO-KRWDZBQOSA-N 0 3 396.491 3.870 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452027397 836693933 /nfs/dbraw/zinc/69/39/33/836693933.db2.gz WPTZMPQZHOKQJR-DLBZAZTESA-N 0 3 379.382 3.715 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000613188944 837376980 /nfs/dbraw/zinc/37/69/80/837376980.db2.gz PRXAXFHBEWJQKC-IEBWSBKVSA-N 0 3 397.475 3.519 20 5 GHBDHN COc1ccc(OCCN2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000247233072 837835683 /nfs/dbraw/zinc/83/56/83/837835683.db2.gz SHJCIZGZCQEJMP-RHSMWYFYSA-N 0 3 392.477 3.632 20 5 GHBDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275604619 837873907 /nfs/dbraw/zinc/87/39/07/837873907.db2.gz QOZVENXQHJWYQU-HKUYNNGSSA-N 0 3 382.420 3.598 20 5 GHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255959455 837902754 /nfs/dbraw/zinc/90/27/54/837902754.db2.gz JARHQXCAYFGGFV-MSOLQXFVSA-N 0 3 397.258 3.871 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)c(Br)c1 ZINC000102419585 838123284 /nfs/dbraw/zinc/12/32/84/838123284.db2.gz JWHHTJKELRUWBG-GFCCVEGCSA-N 0 3 381.226 3.886 20 5 GHBDHN Cc1ccc([C@@H](C)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000247250226 838150223 /nfs/dbraw/zinc/15/02/23/838150223.db2.gz ZPCGQRRHGNBSRJ-ZWKOTPCHSA-N 0 3 383.492 3.975 20 5 GHBDHN COc1ccc([C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C(C)C)cc1 ZINC000102693103 838185636 /nfs/dbraw/zinc/18/56/36/838185636.db2.gz AMFQXOAMVYJBEK-FQEVSTJZSA-N 0 3 387.436 3.537 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160430570 839067062 /nfs/dbraw/zinc/06/70/62/839067062.db2.gz QUZNNXUQKJNGLC-SJPCQFCGSA-N 0 3 375.469 3.957 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000549172100 839146912 /nfs/dbraw/zinc/14/69/12/839146912.db2.gz QXOCSVHPRCLJMU-QGZVFWFLSA-N 0 3 398.381 3.528 20 5 GHBDHN CN1CCC[C@]2(CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)C1 ZINC000549190305 839236246 /nfs/dbraw/zinc/23/62/46/839236246.db2.gz OBLWLWKSCXPBDB-QFIPXVFZSA-N 0 3 379.460 3.748 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000158069706 844489995 /nfs/dbraw/zinc/48/99/95/844489995.db2.gz HLOINPQMUAHFNW-LBPRGKRZSA-N 0 3 377.828 3.936 20 5 GHBDHN O=[N+]([O-])c1cccc2c(NC[C@@H]3CN(Cc4ccccc4)CCCO3)ccnc21 ZINC000432172942 840927861 /nfs/dbraw/zinc/92/78/61/840927861.db2.gz RARVTVNFRCOMOG-GOSISDBHSA-N 0 3 392.459 3.846 20 5 GHBDHN CN(C(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000511856475 840970276 /nfs/dbraw/zinc/97/02/76/840970276.db2.gz XNPDSDQTHHGLHC-HBMCJLEFSA-N 0 3 379.460 3.826 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000610504307 841306931 /nfs/dbraw/zinc/30/69/31/841306931.db2.gz OJKHUJGYNOEUDJ-UHFFFAOYSA-N 0 3 394.397 3.763 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489832400 861253519 /nfs/dbraw/zinc/25/35/19/861253519.db2.gz AOKYCLWZGXHZBD-MRXNPFEDSA-N 0 3 384.480 3.650 20 5 GHBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000109533149 841943274 /nfs/dbraw/zinc/94/32/74/841943274.db2.gz MRLXFQUMWIIFNN-SFHVURJKSA-N 0 3 393.365 3.988 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC000302812446 861373387 /nfs/dbraw/zinc/37/33/87/861373387.db2.gz ZESTUSQLKRPGNU-INIZCTEOSA-N 0 3 377.391 3.576 20 5 GHBDHN CN(C)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000432675914 843424176 /nfs/dbraw/zinc/42/41/76/843424176.db2.gz MZJUTJTUQYJUAR-UHFFFAOYSA-N 0 3 398.301 3.694 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC(Cc3nc(C4CCC4)no3)CC2)cc1 ZINC000599642393 861439179 /nfs/dbraw/zinc/43/91/79/861439179.db2.gz RRRBUUXUXORHGG-UHFFFAOYSA-N 0 3 386.452 3.579 20 5 GHBDHN CCC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000539327039 846146296 /nfs/dbraw/zinc/14/62/96/846146296.db2.gz RONNRYIVHLVLKD-BEFAXECRSA-N 0 3 380.391 3.744 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000162950637 849738150 /nfs/dbraw/zinc/73/81/50/849738150.db2.gz UJMMMSANWQXCTB-HZPDHXFCSA-N 0 3 397.475 3.972 20 5 GHBDHN CCOC(=O)c1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000425227191 849842158 /nfs/dbraw/zinc/84/21/58/849842158.db2.gz AMJVRUQRHZWJNR-HNNXBMFYSA-N 0 3 398.463 3.804 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000514807044 850316435 /nfs/dbraw/zinc/31/64/35/850316435.db2.gz SOQLQVWXWYDIPS-IIBYNOLFSA-N 0 3 399.491 3.905 20 5 GHBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000487588722 850720488 /nfs/dbraw/zinc/72/04/88/850720488.db2.gz KBQOLURJBZGQBR-UHFFFAOYSA-N 0 3 387.505 3.829 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000515918568 851945295 /nfs/dbraw/zinc/94/52/95/851945295.db2.gz IPZWIFDFDBSMKU-WPMUKRGUSA-N 0 3 399.413 3.779 20 5 GHBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCN(c2cnccn2)CC1 ZINC000550000102 852316402 /nfs/dbraw/zinc/31/64/02/852316402.db2.gz OAXQUKWJAQIABC-UHFFFAOYSA-N 0 3 395.385 3.504 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000150801495 852406359 /nfs/dbraw/zinc/40/63/59/852406359.db2.gz DSWAUKKMLOHEIZ-HZPDHXFCSA-N 0 3 393.484 3.599 20 5 GHBDHN CNC(=O)[C@H](CCSC)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000489941377 852660133 /nfs/dbraw/zinc/66/01/33/852660133.db2.gz LHGIPXVBXJEGDJ-JSGCOSHPSA-N 0 3 393.534 3.842 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000586789077 853548919 /nfs/dbraw/zinc/54/89/19/853548919.db2.gz GQEZXBGQKKZDIG-IOMROCGXSA-N 0 3 397.475 3.783 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000129496066 854104650 /nfs/dbraw/zinc/10/46/50/854104650.db2.gz GIRLZCLHMUQAQG-UHFFFAOYSA-N 0 3 396.491 3.753 20 5 GHBDHN Cc1ccc([C@H](C)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000156799348 854335690 /nfs/dbraw/zinc/33/56/90/854335690.db2.gz VGGXVJFIVOFNFJ-YVEFUNNKSA-N 0 3 392.839 3.712 20 5 GHBDHN C[C@H](NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458892939 854472942 /nfs/dbraw/zinc/47/29/42/854472942.db2.gz WAYKZHPIZMVPTK-LAUBAEHRSA-N 0 3 396.491 3.962 20 5 GHBDHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982914 854628750 /nfs/dbraw/zinc/62/87/50/854628750.db2.gz PXSONSCVGFIUSY-OKILXGFUSA-N 0 3 385.386 3.537 20 5 GHBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCc3ccccc32)c1 ZINC000589310100 854803552 /nfs/dbraw/zinc/80/35/52/854803552.db2.gz DUDMLYBHQYTHRI-MRXNPFEDSA-N 0 3 394.212 3.977 20 5 GHBDHN CC(=O)c1ccccc1NC(=O)CCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000572732577 854957445 /nfs/dbraw/zinc/95/74/45/854957445.db2.gz IMBFFOWXWKETRB-UHFFFAOYSA-N 0 3 383.448 3.691 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000733106728 862721282 /nfs/dbraw/zinc/72/12/82/862721282.db2.gz BKOYHSJLIOVTIL-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000014815233 862726596 /nfs/dbraw/zinc/72/65/96/862726596.db2.gz PFNSVLMPZBOZPW-UHFFFAOYSA-N 0 3 399.494 3.533 20 5 GHBDHN O=C(Nc1cnc2c(c1)CNCC2)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591681414 856213847 /nfs/dbraw/zinc/21/38/47/856213847.db2.gz UADCEGYLISXTOZ-UHFFFAOYSA-N 0 3 398.488 3.923 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001128745586 856409158 /nfs/dbraw/zinc/40/91/58/856409158.db2.gz PIAVCXMNNGRJPJ-OAHLLOKOSA-N 0 3 398.301 3.516 20 5 GHBDHN CC(C)(NC[C@@H](O)CO[C@@H]1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429239134 856715745 /nfs/dbraw/zinc/71/57/45/856715745.db2.gz PLOKZHSWERJTNT-DYESRHJHSA-N 0 3 384.476 3.875 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1 ZINC000593029886 857185384 /nfs/dbraw/zinc/18/53/84/857185384.db2.gz ZMXUGGLKDKELKF-FPWFTKFVSA-N 0 3 390.480 3.533 20 5 GHBDHN COc1cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c([N+](=O)[O-])cc1[O-] ZINC000174592747 857347037 /nfs/dbraw/zinc/34/70/37/857347037.db2.gz VMKALGHBALQYBW-UHFFFAOYSA-N 0 3 375.812 3.776 20 5 GHBDHN C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000521110511 857630311 /nfs/dbraw/zinc/63/03/11/857630311.db2.gz LRZUZPFYFAKCRU-GOSISDBHSA-N 0 3 395.503 3.896 20 5 GHBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000078956909 858320542 /nfs/dbraw/zinc/32/05/42/858320542.db2.gz GIADXLAMTWYRGZ-INIZCTEOSA-N 0 3 383.448 3.991 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)N1CCc2sccc2C1 ZINC000595007170 858364483 /nfs/dbraw/zinc/36/44/83/858364483.db2.gz KKEWBBQCXKWODP-KGLIPLIRSA-N 0 3 375.494 3.762 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc(OC2CC2)c1F ZINC000595070580 858371663 /nfs/dbraw/zinc/37/16/63/858371663.db2.gz YEMZYDGQPYPCEL-ZDUSSCGKSA-N 0 3 387.411 3.782 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000595029738 858373083 /nfs/dbraw/zinc/37/30/83/858373083.db2.gz YHDXLQPXRKOLFY-AWEZNQCLSA-N 0 3 384.411 3.822 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000595032028 858374160 /nfs/dbraw/zinc/37/41/60/858374160.db2.gz GFLIALYCYSDJQD-OZVIIMIRSA-N 0 3 376.375 3.738 20 5 GHBDHN COc1ccc(-c2cc(CN[C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)on2)cc1 ZINC000595077794 858412341 /nfs/dbraw/zinc/41/23/41/858412341.db2.gz XDMFYZZIBSQVKR-IEBWSBKVSA-N 0 3 397.435 3.728 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595234025 858448229 /nfs/dbraw/zinc/44/82/29/858448229.db2.gz DUOHEFMEFDEYLW-HXUWFJFHSA-N 0 3 398.463 3.698 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000595778145 858683870 /nfs/dbraw/zinc/68/38/70/858683870.db2.gz PTIPCBOWCJKSCC-CVEARBPZSA-N 0 3 375.469 3.558 20 5 GHBDHN CC(C)(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000429262383 858850668 /nfs/dbraw/zinc/85/06/68/858850668.db2.gz IMYHIEFVDLQGBW-IBGZPJMESA-N 0 3 383.492 3.711 20 5 GHBDHN Cc1ccc([C@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cc1[N+](=O)[O-] ZINC000161060754 859532774 /nfs/dbraw/zinc/53/27/74/859532774.db2.gz IUBOZPGKCHTHHL-KRWDZBQOSA-N 0 3 377.444 3.964 20 5 GHBDHN Cc1c(Br)c(N2CCCC[C@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000543436709 859718733 /nfs/dbraw/zinc/71/87/33/859718733.db2.gz OGVNOBIPBGPPBK-ZDUSSCGKSA-N 0 3 383.290 3.515 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383166 859729912 /nfs/dbraw/zinc/72/99/12/859729912.db2.gz BMZJKQONGGLJQQ-SMDDNHRTSA-N 0 3 385.247 3.992 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000765238459 859859498 /nfs/dbraw/zinc/85/94/98/859859498.db2.gz DEYBMNPOMOQFNS-QTXAWMFRSA-N 0 3 379.460 3.635 20 5 GHBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000484499208 860047863 /nfs/dbraw/zinc/04/78/63/860047863.db2.gz LTQKGDRJQPFYCN-VOQZNFBZSA-N 0 3 383.492 3.925 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602523169 860076166 /nfs/dbraw/zinc/07/61/66/860076166.db2.gz ZYFLHRKUPMSATG-JTQLQIEISA-N 0 3 385.308 3.587 20 5 GHBDHN Cc1ccccc1O[C@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000484656767 860231470 /nfs/dbraw/zinc/23/14/70/860231470.db2.gz URYJPLKYAPCZGI-XLIONFOSSA-N 0 3 383.448 3.822 20 5 GHBDHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124218867 860276258 /nfs/dbraw/zinc/27/62/58/860276258.db2.gz DULGUBTVFKQGCT-INIZCTEOSA-N 0 3 385.464 3.983 20 5 GHBDHN CC1(C)C[C@@H](NCCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc21 ZINC000552333664 860511382 /nfs/dbraw/zinc/51/13/82/860511382.db2.gz LGHXPRAZKAKTSY-OAHLLOKOSA-N 0 3 379.258 3.566 20 5 GHBDHN CC[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552577638 860541006 /nfs/dbraw/zinc/54/10/06/860541006.db2.gz APNWYMBCWSAPSW-NSHGMRRFSA-N 0 3 389.402 3.886 20 5 GHBDHN CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000522781277 863279682 /nfs/dbraw/zinc/27/96/82/863279682.db2.gz JAIBCFUTTLPWHC-LPHOPBHVSA-N 0 3 396.491 3.934 20 5 GHBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000439748020 863818936 /nfs/dbraw/zinc/81/89/36/863818936.db2.gz UWJQHEMNLSBNQH-INIZCTEOSA-N 0 3 396.491 3.609 20 5 GHBDHN Cc1ccc(Sc2ccc(CN[C@H](C)C[S@@](C)=O)cc2[N+](=O)[O-])cc1 ZINC000184260056 864286377 /nfs/dbraw/zinc/28/63/77/864286377.db2.gz MQLORTBMBGQGBX-DLUDVSRJSA-N 0 3 378.519 3.911 20 5 GHBDHN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000043466235 864342044 /nfs/dbraw/zinc/34/20/44/864342044.db2.gz KGUCADPUWUWUEO-LJQANCHMSA-N 0 3 384.436 3.562 20 5 GHBDHN C[C@@H](O)[C@](C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000480478986 864703653 /nfs/dbraw/zinc/70/36/53/864703653.db2.gz SRPBOBWEIFHRAA-VLIAUNLRSA-N 0 3 394.418 3.916 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccsc1 ZINC000534249609 866375674 /nfs/dbraw/zinc/37/56/74/866375674.db2.gz QFCXJZPVOSEZAZ-KRWDZBQOSA-N 0 3 386.477 3.951 20 5 GHBDHN C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485021 866962323 /nfs/dbraw/zinc/96/23/23/866962323.db2.gz HLIQVSYAIUBEIS-GXTWGEPZSA-N 0 3 378.379 3.839 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000444895239 867454269 /nfs/dbraw/zinc/45/42/69/867454269.db2.gz BHAHWTLOPFNLBZ-ZBFHGGJFSA-N 0 3 384.436 3.560 20 5 GHBDHN CC(C)N1CCN(c2ccc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)cc2)CC1 ZINC000445470459 868476947 /nfs/dbraw/zinc/47/69/47/868476947.db2.gz JXRFJZUVNQLGPM-UHFFFAOYSA-N 0 3 399.476 3.904 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N[C@H]3CCN(C4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000524171133 868686604 /nfs/dbraw/zinc/68/66/04/868686604.db2.gz JOYFHEOVARCZOQ-KRWDZBQOSA-N 0 3 380.448 3.804 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CN1C1CC1 ZINC000440922674 869271320 /nfs/dbraw/zinc/27/13/20/869271320.db2.gz CWACZUIPMIZALW-GJZGRUSLSA-N 0 3 381.432 3.742 20 5 GHBDHN C[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1Cc1ccccc1 ZINC000524709356 869476504 /nfs/dbraw/zinc/47/65/04/869476504.db2.gz JSVYOQKYWLBKGH-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@]2(C)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000538707390 870368292 /nfs/dbraw/zinc/36/82/92/870368292.db2.gz CSSGYEHTOCWMFN-OAQYLSRUSA-N 0 3 383.448 3.773 20 5 GHBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001169024473 871125907 /nfs/dbraw/zinc/12/59/07/871125907.db2.gz HFVCUHVYCWDZGT-UGKGYDQZSA-N 0 3 379.504 3.839 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463278545 871316303 /nfs/dbraw/zinc/31/63/03/871316303.db2.gz NRHYDYBQPCYADC-JXFKEZNVSA-N 0 3 396.491 3.650 20 5 GHBDHN C[C@@H](N)c1ccn(-c2ncc(C(F)(F)F)cc2-c2cccc([N+](=O)[O-])c2)n1 ZINC001169231424 871320491 /nfs/dbraw/zinc/32/04/91/871320491.db2.gz JGXADVYSHDQYHR-SNVBAGLBSA-N 0 3 377.326 3.881 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462169512 871731111 /nfs/dbraw/zinc/73/11/11/871731111.db2.gz GZEYXDNYMBOOIS-BEFAXECRSA-N 0 3 399.516 3.957 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cccnc2OC2CCCC2)n1 ZINC000447529726 871762543 /nfs/dbraw/zinc/76/25/43/871762543.db2.gz KTKIKWPKZKZTGG-QZTJIDSGSA-N 0 3 385.468 3.781 20 5 GHBDHN COc1cc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000447553847 871785391 /nfs/dbraw/zinc/78/53/91/871785391.db2.gz XYNPQYCGRIOFTC-IFXJQAMLSA-N 0 3 386.448 3.703 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000130971458 872339216 /nfs/dbraw/zinc/33/92/16/872339216.db2.gz GBJAEIRSEMCTQL-QGZVFWFLSA-N 0 3 379.457 3.537 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC2(C1)CCCCCC2 ZINC000478044977 872412909 /nfs/dbraw/zinc/41/29/09/872412909.db2.gz VTJGRKXBJGCMHM-UHFFFAOYSA-N 0 3 375.469 3.657 20 5 GHBDHN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1O ZINC000448359444 873260036 /nfs/dbraw/zinc/26/00/36/873260036.db2.gz MKBVQYYCEGOZBD-INIZCTEOSA-N 0 3 395.253 3.820 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000448814834 873986186 /nfs/dbraw/zinc/98/61/86/873986186.db2.gz XFVIASXQNPEPTH-QGZVFWFLSA-N 0 3 395.381 3.955 20 5 GHBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000804396812 882811414 /nfs/dbraw/zinc/81/14/14/882811414.db2.gz JLCIIGNQDDDPBF-ZDUSSCGKSA-N 0 3 376.438 3.889 20 5 GHBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541943658 874571548 /nfs/dbraw/zinc/57/15/48/874571548.db2.gz AXKPIHWJPPURSY-UHFFFAOYSA-N 0 3 399.438 3.780 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000609146303 875074513 /nfs/dbraw/zinc/07/45/13/875074513.db2.gz ZULXUJUALGRUDJ-UHFFFAOYSA-N 0 3 394.431 3.903 20 5 GHBDHN COc1ccc(NC(=O)C[C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000271843072 875709656 /nfs/dbraw/zinc/70/96/56/875709656.db2.gz WEOJAOVUNIJVOL-ZIAGYGMSSA-N 0 3 387.436 3.680 20 5 GHBDHN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N(CCN1CCCC1)c1ccccc1 ZINC000610069116 875940173 /nfs/dbraw/zinc/94/01/73/875940173.db2.gz WAOIKMUCZZNTET-UHFFFAOYSA-N 0 3 378.432 3.819 20 5 GHBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000450348503 876299941 /nfs/dbraw/zinc/29/99/41/876299941.db2.gz LBVQUEBKIFLEKM-UHFFFAOYSA-N 0 3 397.475 3.585 20 5 GHBDHN CCc1ccc(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)cc1[N+](=O)[O-] ZINC000746589290 876716172 /nfs/dbraw/zinc/71/61/72/876716172.db2.gz HVVRKHFIKSMALP-UHFFFAOYSA-N 0 3 397.475 3.560 20 5 GHBDHN Cc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000610010012 877283837 /nfs/dbraw/zinc/28/38/37/877283837.db2.gz PBZPBMRGSVNZBQ-UHFFFAOYSA-N 0 3 388.431 3.769 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(CC(F)(F)F)CC1 ZINC000551711836 877696624 /nfs/dbraw/zinc/69/66/24/877696624.db2.gz QHTLAWGAYHNIBN-UHFFFAOYSA-N 0 3 389.374 3.596 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451402958 877923501 /nfs/dbraw/zinc/92/35/01/877923501.db2.gz CLSZMCUNQLAMBW-VXGBXAGGSA-N 0 3 389.374 3.595 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccccc1OC ZINC000537982209 878620262 /nfs/dbraw/zinc/62/02/62/878620262.db2.gz OINPNCDBYJYHBW-GOEBONIOSA-N 0 3 376.478 3.797 20 5 GHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCCN(C)Cc1ccco1 ZINC000285754097 912421610 /nfs/dbraw/zinc/42/16/10/912421610.db2.gz RUMMBNDYXSGLAV-HNNXBMFYSA-N 0 3 399.451 3.753 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc1 ZINC000531109661 879150689 /nfs/dbraw/zinc/15/06/89/879150689.db2.gz KNSYSRWGMPFOJV-UHFFFAOYSA-N 0 3 390.403 3.559 20 5 GHBDHN COc1cc(CNC[C@@]2(C)CCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493766807 879635493 /nfs/dbraw/zinc/63/54/93/879635493.db2.gz QTQYQUAWAYBJCG-MRXNPFEDSA-N 0 3 376.425 3.623 20 5 GHBDHN CCOc1cc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000493910006 879711259 /nfs/dbraw/zinc/71/12/59/879711259.db2.gz YCSKVUIJLSVGDP-LPHOPBHVSA-N 0 3 378.375 3.892 20 5 GHBDHN CC(C)(C)OC(=O)NCCCN(Cc1cccnc1[N+](=O)[O-])CC1CCCC1 ZINC001170138319 879774902 /nfs/dbraw/zinc/77/49/02/879774902.db2.gz BZBSRMUUBDGHLC-UHFFFAOYSA-N 0 3 392.500 3.897 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1F ZINC000790549822 879807023 /nfs/dbraw/zinc/80/70/23/879807023.db2.gz CKAUKFWBJXPRNQ-FZKQIMNGSA-N 0 3 391.468 3.917 20 5 GHBDHN CSc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000494005568 879810173 /nfs/dbraw/zinc/81/01/73/879810173.db2.gz ANGZYNVJPGAYDV-WMLDXEAASA-N 0 3 385.489 3.710 20 5 GHBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C12CCCN1CCC2 ZINC001183557569 912625844 /nfs/dbraw/zinc/62/58/44/912625844.db2.gz UBGNKTBWGQWZAZ-UHFFFAOYSA-N 0 3 390.487 3.523 20 5 GHBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001129801076 883178662 /nfs/dbraw/zinc/17/86/62/883178662.db2.gz KTSSDUXMKXYNON-KRWDZBQOSA-N 0 3 383.448 3.942 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000609467271 883229070 /nfs/dbraw/zinc/22/90/70/883229070.db2.gz NDRLHXFAXJFMSV-SFHVURJKSA-N 0 3 385.464 3.505 20 5 GHBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000804811707 883372318 /nfs/dbraw/zinc/37/23/18/883372318.db2.gz ALLQRFQWIWLVOT-QFIPXVFZSA-N 0 3 379.460 3.900 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000858864413 883413497 /nfs/dbraw/zinc/41/34/97/883413497.db2.gz YOYQMKGKSHXJQF-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609784702 883678091 /nfs/dbraw/zinc/67/80/91/883678091.db2.gz RHSWVJDTDJQWCO-RHSMWYFYSA-N 0 3 387.867 3.742 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609784701 883678171 /nfs/dbraw/zinc/67/81/71/883678171.db2.gz RHSWVJDTDJQWCO-PBHICJAKSA-N 0 3 387.867 3.742 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000609792207 883688076 /nfs/dbraw/zinc/68/80/76/883688076.db2.gz NBDGGQSSLDNDIZ-LJQANCHMSA-N 0 3 389.883 3.772 20 5 GHBDHN CN(CCCN(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)Cc1ccco1 ZINC000795750836 912784140 /nfs/dbraw/zinc/78/41/40/912784140.db2.gz FOHWSSBGUCDYEI-UHFFFAOYSA-N 0 3 391.859 3.602 20 5 GHBDHN Cc1ccc(CNCCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000237733571 884829400 /nfs/dbraw/zinc/82/94/00/884829400.db2.gz MUQVUAPGOLKTIG-UHFFFAOYSA-N 0 3 392.253 3.784 20 5 GHBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1-c1cnccn1 ZINC000860854969 885055620 /nfs/dbraw/zinc/05/56/20/885055620.db2.gz NUELUIWLKIQMBV-IFXJQAMLSA-N 0 3 398.394 3.587 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000807683237 885633024 /nfs/dbraw/zinc/63/30/24/885633024.db2.gz XOSVGTAMCZSANQ-IUODEOHRSA-N 0 3 381.379 3.525 20 5 GHBDHN CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000762207728 885696600 /nfs/dbraw/zinc/69/66/00/885696600.db2.gz RWPBDCVJCWFZNX-MRXNPFEDSA-N 0 3 388.855 3.986 20 5 GHBDHN COc1cc(CNCC2(SC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000193657318 887174328 /nfs/dbraw/zinc/17/43/28/887174328.db2.gz DEXVHMNYFAORDJ-UHFFFAOYSA-N 0 3 380.388 3.530 20 5 GHBDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000193698702 887262764 /nfs/dbraw/zinc/26/27/64/887262764.db2.gz OTRBHCZGCOOJID-KPZWWZAWSA-N 0 3 389.839 3.655 20 5 GHBDHN CCN1CCN(Cc2ccc(NCc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000864035754 887526966 /nfs/dbraw/zinc/52/69/66/887526966.db2.gz OSFJIDMCGLLLGD-UHFFFAOYSA-N 0 3 388.899 3.998 20 5 GHBDHN COCCN1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301131439 888837609 /nfs/dbraw/zinc/83/76/09/888837609.db2.gz VGFJAFYDJAZISA-UHFFFAOYSA-N 0 3 381.782 3.790 20 5 GHBDHN COc1ccc([C@H](C)N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000154178392 890173088 /nfs/dbraw/zinc/17/30/88/890173088.db2.gz HHMBIEGPDRYYRJ-KGLIPLIRSA-N 0 3 387.436 3.680 20 5 GHBDHN COc1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000455108573 890359982 /nfs/dbraw/zinc/35/99/82/890359982.db2.gz UQYDKECFENCMGW-INIZCTEOSA-N 0 3 398.463 3.589 20 5 GHBDHN CON(C)C(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000812778534 890956034 /nfs/dbraw/zinc/95/60/34/890956034.db2.gz ITKUXYAWCNXPNR-UHFFFAOYSA-N 0 3 389.477 3.555 20 5 GHBDHN CC(COC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)[N+](=O)[O-] ZINC000813101451 891273063 /nfs/dbraw/zinc/27/30/63/891273063.db2.gz APWWHTXCGDWTOZ-VIFPVBQESA-N 0 3 388.207 3.575 20 5 GHBDHN Cc1ccc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3cnn(C(C)C)c3n2)cc1 ZINC000813104031 891274407 /nfs/dbraw/zinc/27/44/07/891274407.db2.gz WLNJHLIBJOUFJR-CQSZACIVSA-N 0 3 382.420 3.810 20 5 GHBDHN COc1ccc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3ccccc3n2)cc1OC ZINC000813110326 891303749 /nfs/dbraw/zinc/30/37/49/891303749.db2.gz XXZGIIGXBGFECI-CYBMUJFWSA-N 0 3 396.399 3.741 20 5 GHBDHN CCOc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000428665783 893145613 /nfs/dbraw/zinc/14/56/13/893145613.db2.gz FVSVMBSNHSFQLK-IBGZPJMESA-N 0 3 385.464 3.697 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000934197382 893466610 /nfs/dbraw/zinc/46/66/10/893466610.db2.gz JUMUQXVSHUZRMD-UHFFFAOYSA-N 0 3 399.466 3.790 20 5 GHBDHN C[C@@]1(O)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000536660699 893469196 /nfs/dbraw/zinc/46/91/96/893469196.db2.gz DTFWEDJRBBFNPO-QGZVFWFLSA-N 0 3 395.253 3.964 20 5 GHBDHN CCOc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc(Br)c1[O-] ZINC000459425138 893508188 /nfs/dbraw/zinc/50/81/88/893508188.db2.gz RHRSTIGYJJDUMK-UHFFFAOYSA-N 0 3 395.253 3.794 20 5 GHBDHN C[C@H](NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555881 893995074 /nfs/dbraw/zinc/99/50/74/893995074.db2.gz JNKHWWXAHSVBEA-ZACQAIPSSA-N 0 3 398.507 3.637 20 5 GHBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001135447738 894598751 /nfs/dbraw/zinc/59/87/51/894598751.db2.gz VTKJSGNZVWFTKQ-SFHVURJKSA-N 0 3 387.867 3.744 20 5 GHBDHN O=C(Nc1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000818969389 896328993 /nfs/dbraw/zinc/32/89/93/896328993.db2.gz OQTWQGOBKIZKBB-HXUWFJFHSA-N 0 3 383.448 3.547 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@H](O)c2ccc(F)c(F)c2)cc(C(F)(F)F)c1 ZINC000819270003 896556238 /nfs/dbraw/zinc/55/62/38/896556238.db2.gz RUGJKDPNEBTWPL-HNNXBMFYSA-N 0 3 376.281 3.715 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000819641093 896881740 /nfs/dbraw/zinc/88/17/40/896881740.db2.gz ZDGFTHZGRFMDLJ-QFBILLFUSA-N 0 3 385.851 3.595 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(c2ccccn2)CC1 ZINC000289322809 914141314 /nfs/dbraw/zinc/14/13/14/914141314.db2.gz KEGCFKYTCONGAE-UHFFFAOYSA-N 0 3 386.427 3.588 20 5 GHBDHN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000043342970 898475773 /nfs/dbraw/zinc/47/57/73/898475773.db2.gz SDGAZPWYDMBYJI-HNNXBMFYSA-N 0 3 376.844 3.543 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)cc1 ZINC000570240635 899213404 /nfs/dbraw/zinc/21/34/04/899213404.db2.gz SMNNVQKCVSOSSO-LJQANCHMSA-N 0 3 398.488 3.831 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117592496 899382867 /nfs/dbraw/zinc/38/28/67/899382867.db2.gz GTHCKXTYFCXVDZ-UHFFFAOYSA-N 0 3 391.855 3.507 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1ncccc1C)C(C)C ZINC000118839214 899481263 /nfs/dbraw/zinc/48/12/63/899481263.db2.gz IFFJFEHHHXZCGJ-IBGZPJMESA-N 0 3 386.452 3.622 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)N(C)C)cc1 ZINC000824244692 899489634 /nfs/dbraw/zinc/48/96/34/899489634.db2.gz KLIYKNRPYDFOEK-OAHLLOKOSA-N 0 3 377.391 3.523 20 5 GHBDHN C[C@@H](CC(F)(F)F)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000575221210 901163102 /nfs/dbraw/zinc/16/31/02/901163102.db2.gz JZGXCXDVVRXAOO-ZETCQYMHSA-N 0 3 388.127 3.630 20 5 GHBDHN CC([C@H](OC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872175 902473710 /nfs/dbraw/zinc/47/37/10/902473710.db2.gz DFPTUCSFAZYXFU-SGTLLEGYSA-N 0 3 386.379 3.738 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872508 902473771 /nfs/dbraw/zinc/47/37/71/902473771.db2.gz IQQYPMSBFIYEAP-DJJJIMSYSA-N 0 3 386.379 3.516 20 5 GHBDHN COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876773 902480706 /nfs/dbraw/zinc/48/07/06/902480706.db2.gz OOPJMXYTPAKEGM-MTJIALIYSA-N 0 3 389.379 3.650 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC001147287657 903755657 /nfs/dbraw/zinc/75/56/57/903755657.db2.gz QDXMELJFGMRGSL-OAHLLOKOSA-N 0 3 379.526 3.947 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCO[C@]4(CCSC4)C3)cs2)c1 ZINC000151332744 904106985 /nfs/dbraw/zinc/10/69/85/904106985.db2.gz LGLLSEZYUVORIH-RDTXWAMCSA-N 0 3 391.518 3.863 20 5 GHBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCN(Cc2ccccc2)CC1 ZINC000889489574 904601252 /nfs/dbraw/zinc/60/12/52/904601252.db2.gz ORIMCTHJKPOFRW-UHFFFAOYSA-N 0 3 382.464 3.507 20 5 GHBDHN CC(C)(C)OC(=O)N1CC(N(CCc2ccc([N+](=O)[O-])cc2)C2CCC2)C1 ZINC001171827551 905041636 /nfs/dbraw/zinc/04/16/36/905041636.db2.gz SSDCQHQJPYKSOE-UHFFFAOYSA-N 0 3 375.469 3.611 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000801587525 921169551 /nfs/dbraw/zinc/16/95/51/921169551.db2.gz QOUQYKRBAWAFIU-MRXNPFEDSA-N 0 3 381.448 3.859 20 5 GHBDHN COC(=O)c1cccc2c1CN([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172918727 905987958 /nfs/dbraw/zinc/98/79/58/905987958.db2.gz CDLLLOBZDSTPCB-GOSISDBHSA-N 0 3 380.444 3.687 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](n1nc(C(F)(F)F)c3c1CCNC3)CC2 ZINC001172922196 905992777 /nfs/dbraw/zinc/99/27/77/905992777.db2.gz XBUSLKFTBVZERA-ZDUSSCGKSA-N 0 3 380.370 3.576 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3cc(Cl)ccn3)CC2)c(F)c1 ZINC001173006175 906080578 /nfs/dbraw/zinc/08/05/78/906080578.db2.gz OQMWLBLTRAWWQP-UHFFFAOYSA-N 0 3 382.798 3.680 20 5 GHBDHN CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177603803 906177361 /nfs/dbraw/zinc/17/73/61/906177361.db2.gz SIAHAWMGTUNDIX-KUHUBIRLSA-N 0 3 391.493 3.647 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)Cc2ccc(OC)c(OC)c2)c1F ZINC001173189583 906270326 /nfs/dbraw/zinc/27/03/26/906270326.db2.gz LBBUOIXOKVIMIS-ZDUSSCGKSA-N 0 3 392.427 3.823 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173222095 906299337 /nfs/dbraw/zinc/29/93/37/906299337.db2.gz PCNJYFGPLFDMJU-RDJZCZTQSA-N 0 3 377.485 3.905 20 5 GHBDHN CCOC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000189797491 908376090 /nfs/dbraw/zinc/37/60/90/908376090.db2.gz LKBUGOMTWCLJFO-NHYWBVRUSA-N 0 3 391.390 3.591 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)cc2c1OCC2 ZINC001180686969 910305228 /nfs/dbraw/zinc/30/52/28/910305228.db2.gz KREKFKQDONKRNH-LBPRGKRZSA-N 0 3 389.839 3.690 20 5 GHBDHN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000795613961 911440581 /nfs/dbraw/zinc/44/05/81/911440581.db2.gz FVBPVYKGTGSFMO-IEZWGBDMSA-N 0 3 392.887 3.961 20 5 GHBDHN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000284191099 911784944 /nfs/dbraw/zinc/78/49/44/911784944.db2.gz RPDSOHBTKJSFLR-PZROIBLQSA-N 0 3 384.436 3.698 20 5 GHBDHN CC(C)CN(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CCN(C)CC1 ZINC000291645585 915295902 /nfs/dbraw/zinc/29/59/02/915295902.db2.gz OYBOLCJJLXISDJ-UHFFFAOYSA-N 0 3 398.301 3.550 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC001187686739 915443060 /nfs/dbraw/zinc/44/30/60/915443060.db2.gz RHZXEOMWKVCMSJ-GOSISDBHSA-N 0 3 378.407 3.947 20 5 GHBDHN CN(C)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000113311255 919366762 /nfs/dbraw/zinc/36/67/62/919366762.db2.gz OZNYOASPHGDJCK-FQEVSTJZSA-N 0 3 396.516 3.981 20 5 GHBDHN Cc1cn2c(n1)[C@@H](CNCc1csc(-c3cccc([N+](=O)[O-])c3)n1)CCC2 ZINC000371067239 924414055 /nfs/dbraw/zinc/41/40/55/924414055.db2.gz CDORXZWTXDIAPJ-OAHLLOKOSA-N 0 3 383.477 3.890 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373403389 926086924 /nfs/dbraw/zinc/08/69/24/926086924.db2.gz ODHHGFVQXQPODP-UHFFFAOYSA-N 0 3 386.374 3.522 20 5 GHBDHN CCOC(=O)C(CC)(CC)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC001462485862 926377610 /nfs/dbraw/zinc/37/76/10/926377610.db2.gz SOQHRYLZCIUPFF-UHFFFAOYSA-N 0 3 393.303 3.878 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749802148 927283071 /nfs/dbraw/zinc/28/30/71/927283071.db2.gz LGHNRPRRVDCIFK-UHFFFAOYSA-N 0 3 393.484 3.871 20 5 GHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000751088747 928023500 /nfs/dbraw/zinc/02/35/00/928023500.db2.gz FBENFIYHOJCCOJ-HXUWFJFHSA-N 0 3 399.466 3.937 20 5 GHBDHN COc1ccc([C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)N(C)C)cc1OC ZINC000413026477 928116660 /nfs/dbraw/zinc/11/66/60/928116660.db2.gz JBFOIBFKZZHQTD-GOSISDBHSA-N 0 3 396.447 3.875 20 5 GHBDHN Cc1ccc(Cl)c(OC[C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000544429070 929169626 /nfs/dbraw/zinc/16/96/26/929169626.db2.gz HKCKVUZRQTTXML-HOCLYGCPSA-N 0 3 378.856 3.956 20 5 GHBDHN O=C1NC2(CO1)CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000753588752 929432950 /nfs/dbraw/zinc/43/29/50/929432950.db2.gz ZSFGGIFVWDXFFP-UHFFFAOYSA-N 0 3 391.811 3.583 20 5 GHBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC000557930751 931759517 /nfs/dbraw/zinc/75/95/17/931759517.db2.gz JQBZWNMPSTUGTF-HNAYVOBHSA-N 0 3 390.443 3.536 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1ccccc1S(C)(=O)=O ZINC000926904798 932343033 /nfs/dbraw/zinc/34/30/33/932343033.db2.gz FAMMKKGCCMVWDG-ZDUSSCGKSA-N 0 3 394.518 3.614 20 5 GHBDHN O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000559254213 932557042 /nfs/dbraw/zinc/55/70/42/932557042.db2.gz JBRHHKYTJHVSEO-UHFFFAOYSA-N 0 3 381.476 3.789 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@H](O)c1cccc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000828807207 935715781 /nfs/dbraw/zinc/71/57/81/935715781.db2.gz KITMLFWIISLTBI-ZJOUEHCJSA-N 0 3 388.439 3.573 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(F)ccc1N1CCOCC1 ZINC000468626937 1015856182 /nfs/dbraw/zinc/85/61/82/1015856182.db2.gz BDQIAYJIELACRH-LFIBNONCSA-N 0 3 385.439 3.764 20 5 GHBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N(C)Cc1ccccc1 ZINC000545833146 1016480711 /nfs/dbraw/zinc/48/07/11/1016480711.db2.gz QJLPLHAODHGECH-HNNXBMFYSA-N 0 3 387.455 3.648 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(c2nnc3ccccn32)CC1 ZINC000470172916 1016743354 /nfs/dbraw/zinc/74/33/54/1016743354.db2.gz FLCDRLVRGXZKKA-SSZFMOIBSA-N 0 3 377.448 3.920 20 5 GHBDHN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546907189 1016766539 /nfs/dbraw/zinc/76/65/39/1016766539.db2.gz ZIFHSHXNOCPYRD-SFHVURJKSA-N 0 3 392.459 3.813 20 5 GHBDHN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470679846 1016853959 /nfs/dbraw/zinc/85/39/59/1016853959.db2.gz BHCLJAOBHSYLMW-SFHVURJKSA-N 0 3 392.459 3.813 20 5 GHBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nc4ccccc4c4ccccc43)C[C@H]1N2C ZINC001226993830 1032225278 /nfs/dbraw/zinc/22/52/78/1032225278.db2.gz YYYYBDBVHFBSNS-FRMGNDQPSA-N 0 3 376.456 3.934 20 5 GHBDHN O=[N+]([O-])c1c(Cl)ccc2nc(-n3nc(C(F)(F)F)c4c3CCNC4)ccc21 ZINC001154848997 1032308408 /nfs/dbraw/zinc/30/84/08/1032308408.db2.gz FGEMRAVMUZRKIG-UHFFFAOYSA-N 0 3 397.744 3.647 20 5 GHBDHN COc1cc(OC2CCC([NH+](C)C)CC2)c2c([O-])c3c(=O)ccc(O)c-3oc2c1 ZINC001227645418 1032499759 /nfs/dbraw/zinc/49/97/59/1032499759.db2.gz HMDKEQVMMFNXNK-UHFFFAOYSA-N 0 3 399.443 3.618 20 5 GHBDHN COc1cc(OC2CCC([NH+](C)C)CC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645418 1032499766 /nfs/dbraw/zinc/49/97/66/1032499766.db2.gz HMDKEQVMMFNXNK-UHFFFAOYSA-N 0 3 399.443 3.618 20 5 GHBDHN COc1ccc(CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC2CC2)c(OC)c1 ZINC000800500791 1021309891 /nfs/dbraw/zinc/30/98/91/1021309891.db2.gz GFMBNWWNTRQELZ-FQEVSTJZSA-N 0 3 386.448 3.558 20 5 GHBDHN C[Si](C)(C)CCOCN[C@@H]1CCCN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001156464283 1033046028 /nfs/dbraw/zinc/04/60/28/1033046028.db2.gz IBKAHCVAIJNWPN-CYBMUJFWSA-N 0 3 386.956 3.514 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000754169111 1022519680 /nfs/dbraw/zinc/51/96/80/1022519680.db2.gz LGQGQHFUGQWFJY-AOYOVTADSA-N 0 3 379.460 3.950 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCN1CCc2ccccc2C1 ZINC001162132129 1025623662 /nfs/dbraw/zinc/62/36/62/1025623662.db2.gz GGMBGCJGKYPQDG-UHFFFAOYSA-N 0 3 383.448 3.550 20 5 GHBDHN Cc1cc2cc3cc(C)c(Nc4cnn(CS(C)(=O)=O)c4)cc3nc2cc1N ZINC001210792490 1027653541 /nfs/dbraw/zinc/65/35/41/1027653541.db2.gz MROPZMOYRCUUCG-UHFFFAOYSA-N 0 3 395.488 3.529 20 5 GHBDHN CN(Cc1c2ccccc2cc2ccccc21)C(=O)CCN1CCN(C)CC1 ZINC001143230513 1029931175 /nfs/dbraw/zinc/93/11/75/1029931175.db2.gz ASWXNXBZERASMS-UHFFFAOYSA-N 0 3 375.516 3.589 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001222515758 1030178278 /nfs/dbraw/zinc/17/82/78/1030178278.db2.gz GYVKKFJGDMYSNZ-VGOFRKELSA-N 0 3 396.491 3.928 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001217147473 1030196163 /nfs/dbraw/zinc/19/61/63/1030196163.db2.gz VPISPMWGELMTDN-UHFFFAOYSA-N 0 3 390.484 3.723 20 5 GHBDHN O=[N+]([O-])c1cccc(Br)c1CNC[C@H]1CCN1C1CCCCC1 ZINC001461646648 1069656779 /nfs/dbraw/zinc/65/67/79/1069656779.db2.gz UDYVYTFWPOUIOD-CQSZACIVSA-N 0 3 382.302 3.854 20 5 GHBDHN Nc1ccc2n(C(=O)[C@@H]3C[C@@H](c4ccccc4)CCN3)c3ccccc3cc-2c1=O ZINC001219255566 1031327757 /nfs/dbraw/zinc/32/77/57/1031327757.db2.gz FYBGFYZSXUXQQJ-UWJYYQICSA-N 0 3 397.478 3.865 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(OC2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001225593904 1031495764 /nfs/dbraw/zinc/49/57/64/1031495764.db2.gz CDPXNHDVFARYMY-UHFFFAOYSA-N 0 3 385.420 3.897 20 5 GHBDHN COC(=O)Cc1ccc(O[C@H]2CN(Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001226215578 1031855933 /nfs/dbraw/zinc/85/59/33/1031855933.db2.gz ZJUQDFARTSXASZ-IERDGZPVSA-N 0 3 398.459 3.600 20 5 GHBDHN Cc1ccc(-c2nc3sccc3c(-n3ccc([C@@H](C)N)n3)n2)cc1[N+](=O)[O-] ZINC001158355181 1034040284 /nfs/dbraw/zinc/04/02/84/1034040284.db2.gz GZJLKYJXJCLCKG-LLVKDONJSA-N 0 3 380.433 3.780 20 5 GHBDHN C[C@@H](NC[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001207526906 1034429881 /nfs/dbraw/zinc/42/98/81/1034429881.db2.gz MLFDATJXRWPJSW-IUODEOHRSA-N 0 3 385.411 3.890 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC001207685943 1034527390 /nfs/dbraw/zinc/52/73/90/1034527390.db2.gz ZHGQFAFPIHDEIJ-HNNXBMFYSA-N 0 3 383.876 3.983 20 5 GHBDHN CCCC(=O)Nc1c(O[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001231358242 1034535583 /nfs/dbraw/zinc/53/55/83/1034535583.db2.gz CKSDLSGGHQECAI-QGZVFWFLSA-N 0 3 383.448 3.987 20 5 GHBDHN CN(C)Cc1ccccc1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001159494412 1034619968 /nfs/dbraw/zinc/61/99/68/1034619968.db2.gz FWPNYKAXIXCEPJ-UHFFFAOYSA-N 0 3 392.253 3.600 20 5 GHBDHN COc1cc(CN(C)C)cc(F)c1O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001234243294 1039936664 /nfs/dbraw/zinc/93/66/64/1039936664.db2.gz HDTMIPUZQXNWPJ-NSHDSACASA-N 0 3 392.383 3.673 20 5 GHBDHN CC1(C)CCC[C@](CO)(NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001462434857 1070250463 /nfs/dbraw/zinc/25/04/63/1070250463.db2.gz DPDHGYZXLQLJSH-AWEZNQCLSA-N 0 3 377.304 3.840 20 5 GHBDHN COc1cccc(OC)c1[C@H](C)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469641 1040255231 /nfs/dbraw/zinc/25/52/31/1040255231.db2.gz UVOOJHKLLQLPBY-HNNXBMFYSA-N 0 3 385.464 3.932 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001254554294 1040323514 /nfs/dbraw/zinc/32/35/14/1040323514.db2.gz BOFIIEHZWAPFNY-JCXROGDPSA-N 0 3 397.475 3.622 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001254562103 1040334133 /nfs/dbraw/zinc/33/41/33/1040334133.db2.gz JOMGSMFDMRTEHZ-AAEUAGOBSA-N 0 3 384.358 3.807 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001254570927 1040348792 /nfs/dbraw/zinc/34/87/92/1040348792.db2.gz QRHCXVYIOSWRMD-QRWLVFNGSA-N 0 3 377.485 3.763 20 5 GHBDHN Cn1c(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc2cc(C(F)(F)F)ccc21 ZINC001254573841 1040349681 /nfs/dbraw/zinc/34/96/81/1040349681.db2.gz CRZLYSJULUMOSX-AWEZNQCLSA-N 0 3 390.365 3.757 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1COc3ccc(Br)cc31)C2 ZINC001254579824 1040355689 /nfs/dbraw/zinc/35/56/89/1040355689.db2.gz VPRRQPASZQFYPX-CJNGLKHVSA-N 0 3 375.222 3.548 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN([C@@H]3CCCc4ccccc43)CC1)C2 ZINC001254608328 1040380273 /nfs/dbraw/zinc/38/02/73/1040380273.db2.gz QSGZHBKZLSDITF-FYYLOGMGSA-N 0 3 377.488 3.757 20 5 GHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CN(C)C)cc1F ZINC001261364500 1045979458 /nfs/dbraw/zinc/97/94/58/1045979458.db2.gz LWBKUOLUXHXBMP-NSHDSACASA-N 0 3 395.818 3.855 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N(CCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC001264534337 1047370346 /nfs/dbraw/zinc/37/03/46/1047370346.db2.gz PPRMKIGDRUVWPB-UHFFFAOYSA-N 0 3 389.883 3.803 20 5 GHBDHN CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001266065638 1047705962 /nfs/dbraw/zinc/70/59/62/1047705962.db2.gz ZAHUFOWIBYYOLE-OAQYLSRUSA-N 0 3 393.487 3.749 20 5 GHBDHN CN1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])c4ccccc43)cc2)CC1 ZINC001306932772 1048966141 /nfs/dbraw/zinc/96/61/41/1048966141.db2.gz YLGQDKMYRRNIBL-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)c1ccco1 ZINC001307118572 1049087257 /nfs/dbraw/zinc/08/72/57/1049087257.db2.gz MVANJWHDRBTYLB-CJNGLKHVSA-N 0 3 375.425 3.824 20 5 GHBDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001307893045 1049672200 /nfs/dbraw/zinc/67/22/00/1049672200.db2.gz DOUGUJDWLLNLCE-BBWFWOEESA-N 0 3 398.463 3.986 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(CC(F)(F)F)cc3)C2)nc1 ZINC001308572629 1050014663 /nfs/dbraw/zinc/01/46/63/1050014663.db2.gz AGJNHLLHCZCVHA-HNNXBMFYSA-N 0 3 380.370 3.781 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@H](C2CC2)[C@H]2CCCCO2)cc1Br ZINC001308842471 1050119612 /nfs/dbraw/zinc/11/96/12/1050119612.db2.gz UUGATRMMFPKKCB-CHWSQXEVSA-N 0 3 375.288 3.856 20 5 GHBDHN Cc1ccc(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001311712039 1052350064 /nfs/dbraw/zinc/35/00/64/1052350064.db2.gz IUGVYZICCRLEHV-QFBILLFUSA-N 0 3 382.464 3.538 20 5 GHBDHN CC1CCN(c2ccc(-c3nc([C@@H]4CN5CCC4CC5)no3)cc2[N+](=O)[O-])CC1 ZINC001325470109 1057332069 /nfs/dbraw/zinc/33/20/69/1057332069.db2.gz MLNAABQMCYGKMI-QGZVFWFLSA-N 0 3 397.479 3.690 20 5 GHBDHN CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001325509585 1057336532 /nfs/dbraw/zinc/33/65/32/1057336532.db2.gz CSJCTLNOGAHRPR-MORSLUCNSA-N 0 3 395.887 3.712 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1csc(SCCN(C)C)n1 ZINC001450689415 1060654963 /nfs/dbraw/zinc/65/49/63/1060654963.db2.gz SSAGUTDNJKBVLH-UHFFFAOYSA-N 0 3 394.522 3.503 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001451097209 1060738170 /nfs/dbraw/zinc/73/81/70/1060738170.db2.gz XGDKPCNXJFOBLN-UHFFFAOYSA-N 0 3 394.431 3.653 20 5 GHBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001453387951 1061120366 /nfs/dbraw/zinc/12/03/66/1061120366.db2.gz CKXWNXHXXHAEJT-JTQLQIEISA-N 0 3 392.258 3.891 20 5 GHBDHN CC1CCC(N2CCN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC001435170034 1062355444 /nfs/dbraw/zinc/35/54/44/1062355444.db2.gz MKUNYDLFYJVZBR-UHFFFAOYSA-N 0 3 393.915 3.904 20 5 GHBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)C2)cc1 ZINC001465918779 1065922522 /nfs/dbraw/zinc/92/25/22/1065922522.db2.gz CTNMBVFTCHDWLM-GOSISDBHSA-N 0 3 382.464 3.916 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001200365894 1065994432 /nfs/dbraw/zinc/99/44/32/1065994432.db2.gz POFRIYOMSPZSFX-AWEZNQCLSA-N 0 3 381.473 3.729 20 5 GHBDHN CC([C@@H](OC(=O)c1cnc(N(C)C)c(Cl)c1)c1ccccc1F)[N+](=O)[O-] ZINC000847737408 1065995821 /nfs/dbraw/zinc/99/58/21/1065995821.db2.gz PVBBOMMPFMFNTH-ZUZCIYMTSA-N 0 3 381.791 3.503 20 5 GHBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001467645384 1067398583 /nfs/dbraw/zinc/39/85/83/1067398583.db2.gz WQVYZHVBPGIZKW-SECBINFHSA-N 0 3 378.231 3.597 20 5 GHBDHN COc1c(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC001468067712 1067585856 /nfs/dbraw/zinc/58/58/56/1067585856.db2.gz HYGDGIGDCHUBCC-UHFFFAOYSA-N 0 3 377.485 3.576 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC001360019572 1068317147 /nfs/dbraw/zinc/31/71/47/1068317147.db2.gz TXMRYTFUKKJZCT-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001460310520 1068918958 /nfs/dbraw/zinc/91/89/58/1068918958.db2.gz LUWJYFLFIVORTB-UHFFFAOYSA-N 0 3 380.347 3.817 20 5 GHBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001460409453 1068955926 /nfs/dbraw/zinc/95/59/26/1068955926.db2.gz YAHQYWULRSZXPS-QGZVFWFLSA-N 0 3 385.489 3.597 20 5 GHBDHN CN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)F)cc2)CC1 ZINC001472657458 1073600662 /nfs/dbraw/zinc/60/06/62/1073600662.db2.gz RNZRJPOROFLGRK-UHFFFAOYSA-N 0 3 390.434 3.892 20 5 GHBDHN COc1cc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC001472812311 1073676570 /nfs/dbraw/zinc/67/65/70/1073676570.db2.gz HZPLCOQFMWGKAJ-BEFAXECRSA-N 0 3 387.867 3.968 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC001473290031 1073908735 /nfs/dbraw/zinc/90/87/35/1073908735.db2.gz SZAUFNNQKJNENU-XHSDSOJGSA-N 0 3 379.501 3.553 20 5 GHBDHN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)[C@@H]1C ZINC001473880801 1074189060 /nfs/dbraw/zinc/18/90/60/1074189060.db2.gz BXPWLBMOKTXQHQ-NXEZDXNNSA-N 0 3 378.469 3.792 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@@H](O)c3ccnn3C)cc2[N+](=O)[O-])cc1 ZINC001474279319 1074323439 /nfs/dbraw/zinc/32/34/39/1074323439.db2.gz QJOUWXHWKHUGJE-LJQANCHMSA-N 0 3 398.488 3.611 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC000822271192 607019402 /nfs/dbraw/zinc/01/94/02/607019402.db2.gz PYKUKAOLNCYUFZ-CQSZACIVSA-N 0 3 398.492 3.667 20 5 GHBDHN CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419137 608549451 /nfs/dbraw/zinc/54/94/51/608549451.db2.gz IDEVHXYQPOTAJW-VFADXPBXSA-N 0 3 378.436 3.871 20 5 GHBDHN CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419137 608549452 /nfs/dbraw/zinc/54/94/52/608549452.db2.gz IDEVHXYQPOTAJW-VFADXPBXSA-N 0 3 378.436 3.871 20 5 GHBDHN CCC[C@@H](NCCNC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180786101 837545646 /nfs/dbraw/zinc/54/56/46/837545646.db2.gz WANLRTOTMFIMTF-QGZVFWFLSA-N 0 3 377.391 3.734 20 5 GHBDHN C[C@@H](C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581918550 837729582 /nfs/dbraw/zinc/72/95/82/837729582.db2.gz DPEBRQZBCCOLAT-ZWKOTPCHSA-N 0 3 381.476 3.821 20 5 GHBDHN O=C(CCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000157636363 835290364 /nfs/dbraw/zinc/29/03/64/835290364.db2.gz GCTLVBQIQFQNSF-INIZCTEOSA-N 0 3 399.422 3.657 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000136185207 835319645 /nfs/dbraw/zinc/31/96/45/835319645.db2.gz YWWMGUHBURZYBX-CRAIPNDOSA-N 0 3 382.464 3.996 20 5 GHBDHN CSc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000411469505 836185293 /nfs/dbraw/zinc/18/52/93/836185293.db2.gz AJHXOTRWIQFICU-GOEBONIOSA-N 0 3 376.478 3.716 20 5 GHBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000175200814 836703491 /nfs/dbraw/zinc/70/34/91/836703491.db2.gz UDXAHEDTHLEPLP-CQSZACIVSA-N 0 3 393.365 3.747 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510948255 844243686 /nfs/dbraw/zinc/24/36/86/844243686.db2.gz IQPKALJKRURJIW-QAPCUYQASA-N 0 3 398.463 3.951 20 5 GHBDHN CC(C)(COc1ncccc1Br)NCc1ccccc1[N+](=O)[O-] ZINC000180396482 837222512 /nfs/dbraw/zinc/22/25/12/837222512.db2.gz BFOZJTQWGNEPNL-UHFFFAOYSA-N 0 3 380.242 3.700 20 5 GHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255959456 837902081 /nfs/dbraw/zinc/90/20/81/837902081.db2.gz JARHQXCAYFGGFV-QZTJIDSGSA-N 0 3 397.258 3.871 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000513078638 844335371 /nfs/dbraw/zinc/33/53/71/844335371.db2.gz YUDXALIHQGGUEP-MAODMQOUSA-N 0 3 398.459 3.902 20 5 GHBDHN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000477012532 840497007 /nfs/dbraw/zinc/49/70/07/840497007.db2.gz SMBSURQDAURHAU-CHWSQXEVSA-N 0 3 375.856 3.971 20 5 GHBDHN CSC[C@H](CCO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000124145614 840802631 /nfs/dbraw/zinc/80/26/31/840802631.db2.gz GWVNECLYMVCARS-INIZCTEOSA-N 0 3 375.494 3.566 20 5 GHBDHN COc1cccc([C@H]2[C@@H](NCc3cc([N+](=O)[O-])ccc3OC)CCN2C2CC2)c1 ZINC000549476285 841062285 /nfs/dbraw/zinc/06/22/85/841062285.db2.gz DFJMQBULTQQUJV-UNMCSNQZSA-N 0 3 397.475 3.680 20 5 GHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCC(=O)N(C)C1 ZINC000600178248 861194164 /nfs/dbraw/zinc/19/41/64/861194164.db2.gz IXIFDFMGDLPVRP-CYBMUJFWSA-N 0 3 377.828 3.561 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000302661190 861318772 /nfs/dbraw/zinc/31/87/72/861318772.db2.gz WYTISIOVTVKRHG-MRXNPFEDSA-N 0 3 387.505 3.666 20 5 GHBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)COCc1ccccc1 ZINC000511956817 842560373 /nfs/dbraw/zinc/56/03/73/842560373.db2.gz KUWPXVBEHMGFLL-FQEVSTJZSA-N 0 3 396.443 3.864 20 5 GHBDHN Cn1cc(CNCc2ccc(C(C)(C)O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000187509196 842596746 /nfs/dbraw/zinc/59/67/46/842596746.db2.gz BFKOEVPXHVUMJG-UHFFFAOYSA-N 0 3 380.448 3.513 20 5 GHBDHN CC(C)NC(=O)c1ccc(N[C@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302835189 861380738 /nfs/dbraw/zinc/38/07/38/861380738.db2.gz UVUNVRASBLWVNK-ICSRJNTNSA-N 0 3 382.464 3.590 20 5 GHBDHN COc1ccc([C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])N(C)C)cc1OC ZINC000432319503 843557410 /nfs/dbraw/zinc/55/74/10/843557410.db2.gz GVOQOFOYYXYXIX-SFHVURJKSA-N 0 3 396.447 3.875 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436805704 843953810 /nfs/dbraw/zinc/95/38/10/843953810.db2.gz FXSOVMRRKVUNOO-DTQAZKPQSA-N 0 3 395.459 3.598 20 5 GHBDHN CCOC(=O)c1csc(CCNCc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000190345335 844929183 /nfs/dbraw/zinc/92/91/83/844929183.db2.gz MERJVZNMBBATFN-UHFFFAOYSA-N 0 3 377.466 3.684 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000604012559 861573924 /nfs/dbraw/zinc/57/39/24/861573924.db2.gz PLQAOYBOBUFFOP-IBGZPJMESA-N 0 3 384.432 3.972 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000072007037 846204131 /nfs/dbraw/zinc/20/41/31/846204131.db2.gz RCLWZDGOIMLNNF-NRFANRHFSA-N 0 3 397.475 3.563 20 5 GHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421699822 846507068 /nfs/dbraw/zinc/50/70/68/846507068.db2.gz BZOSHPWNKITDRO-INIZCTEOSA-N 0 3 399.447 3.562 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000119955595 846546535 /nfs/dbraw/zinc/54/65/35/846546535.db2.gz DUBCOBGZJZMFOA-GOSISDBHSA-N 0 3 375.494 3.788 20 5 GHBDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000501050829 846578270 /nfs/dbraw/zinc/57/82/70/846578270.db2.gz HTLRLHBSXKACHA-HUUCEWRRSA-N 0 3 383.448 3.940 20 5 GHBDHN CC[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000604075475 861712564 /nfs/dbraw/zinc/71/25/64/861712564.db2.gz UKPNONLKROJMIA-UZLBHIALSA-N 0 3 396.491 3.792 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158114148 846970792 /nfs/dbraw/zinc/97/07/92/846970792.db2.gz PZUSIUDKYDDHGV-GFCCVEGCSA-N 0 3 377.828 3.936 20 5 GHBDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501869536 847275961 /nfs/dbraw/zinc/27/59/61/847275961.db2.gz ILZWFPMRJNWQFV-GOSISDBHSA-N 0 3 391.855 3.896 20 5 GHBDHN COc1cc(CNCC2(O)CCC(C(C)(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000237131025 847467574 /nfs/dbraw/zinc/46/75/74/847467574.db2.gz JDFDBJSKZAPKRD-UHFFFAOYSA-N 0 3 380.485 3.669 20 5 GHBDHN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000513785186 847554671 /nfs/dbraw/zinc/55/46/71/847554671.db2.gz HSRPCYYJIZLSEJ-XYJFISCASA-N 0 3 383.496 3.975 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H](CO)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000479421344 847637698 /nfs/dbraw/zinc/63/76/98/847637698.db2.gz KQPXFKQSZQUMHH-MRXNPFEDSA-N 0 3 382.416 3.557 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000135631155 848231950 /nfs/dbraw/zinc/23/19/50/848231950.db2.gz FZSDVNOFUUWYDY-UHFFFAOYSA-N 0 3 399.516 3.885 20 5 GHBDHN CC[C@@H](C)C(=O)Nc1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000548761211 848241144 /nfs/dbraw/zinc/24/11/44/848241144.db2.gz QUZKQOIHCKUZPV-OAHLLOKOSA-N 0 3 398.463 3.698 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000582922132 848699743 /nfs/dbraw/zinc/69/97/43/848699743.db2.gz WWUOPSVSTJXBGO-OAHLLOKOSA-N 0 3 398.463 3.722 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOCC(F)(F)C(F)F)o2)cc1 ZINC000434785805 849773970 /nfs/dbraw/zinc/77/39/70/849773970.db2.gz HAYRERZEKJAVRV-UHFFFAOYSA-N 0 3 376.306 3.861 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583396802 849795419 /nfs/dbraw/zinc/79/54/19/849795419.db2.gz CYPLFWAZUKZMNG-UAMLPYHUSA-N 0 3 397.475 3.863 20 5 GHBDHN C[C@H](c1ccncc1)N1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000425245523 849899709 /nfs/dbraw/zinc/89/97/09/849899709.db2.gz WOYXQCWKSKDOJO-OAHLLOKOSA-N 0 3 377.448 3.597 20 5 GHBDHN C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000057398834 862073913 /nfs/dbraw/zinc/07/39/13/862073913.db2.gz FOLBIMJENGROOM-OXJNMPFZSA-N 0 3 382.464 3.792 20 5 GHBDHN C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000505615113 850129899 /nfs/dbraw/zinc/12/98/99/850129899.db2.gz UYTISMKWVVKFBW-IIBYNOLFSA-N 0 3 384.480 3.595 20 5 GHBDHN C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC001269734349 850782522 /nfs/dbraw/zinc/78/25/22/850782522.db2.gz BBXJTBJJFQEAKQ-XOBRGWDASA-N 0 3 389.883 3.988 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000515479228 851077667 /nfs/dbraw/zinc/07/76/67/851077667.db2.gz CVDLZZDLAUPHJN-NRFANRHFSA-N 0 3 395.459 3.526 20 5 GHBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436134151 851244761 /nfs/dbraw/zinc/24/47/61/851244761.db2.gz PHCFHSOTMLYDHB-ZACQAIPSSA-N 0 3 391.515 3.778 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000434682931 851489726 /nfs/dbraw/zinc/48/97/26/851489726.db2.gz YRJBSDNQEAPKRX-UHFFFAOYSA-N 0 3 384.480 3.906 20 5 GHBDHN CC(C)[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(CO)CCC1 ZINC000430087098 851515512 /nfs/dbraw/zinc/51/55/12/851515512.db2.gz GLZFARLUDVIUAF-KRWDZBQOSA-N 0 3 375.494 3.995 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000042813739 851582589 /nfs/dbraw/zinc/58/25/89/851582589.db2.gz ZZVWFVSEJHZDLU-HXUWFJFHSA-N 0 3 382.464 3.573 20 5 GHBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2ccccc21 ZINC000604532770 862284754 /nfs/dbraw/zinc/28/47/54/862284754.db2.gz GGMBHANBMHCDED-ZDUSSCGKSA-N 0 3 377.391 3.737 20 5 GHBDHN COc1cc(CNCCc2ccc(C)nc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000111395885 852108355 /nfs/dbraw/zinc/10/83/55/852108355.db2.gz UVQQFGSVVQQWLE-UHFFFAOYSA-N 0 3 399.369 3.580 20 5 GHBDHN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NCc1ccco1 ZINC000111398913 852116721 /nfs/dbraw/zinc/11/67/21/852116721.db2.gz PTQWQHXOOZQIOV-ZDUSSCGKSA-N 0 3 385.445 3.711 20 5 GHBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000516379495 852479724 /nfs/dbraw/zinc/47/97/24/852479724.db2.gz SLEANZMGVWWQGY-MRXNPFEDSA-N 0 3 385.489 3.960 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490017046 852724877 /nfs/dbraw/zinc/72/48/77/852724877.db2.gz XMEOMIKRXMYLIP-VQIMIIECSA-N 0 3 396.491 3.650 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000437135598 852764877 /nfs/dbraw/zinc/76/48/77/852764877.db2.gz HVZLYUJNEVGBOS-INIZCTEOSA-N 0 3 381.354 3.646 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490434602 853027585 /nfs/dbraw/zinc/02/75/85/853027585.db2.gz XTPYOYCCVYAYAX-AUUYWEPGSA-N 0 3 397.500 3.959 20 5 GHBDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000473882789 853314226 /nfs/dbraw/zinc/31/42/26/853314226.db2.gz WIEHVJFHDWTZKK-UHFFFAOYSA-N 0 3 375.494 3.984 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000543545715 862647280 /nfs/dbraw/zinc/64/72/80/862647280.db2.gz JFJVGHLBYVHZLU-UFYHVXEKSA-N 0 3 389.839 3.730 20 5 GHBDHN C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000573047953 855703952 /nfs/dbraw/zinc/70/39/52/855703952.db2.gz GDVSEDKHDMOJHD-FOIQADDNSA-N 0 3 395.459 3.606 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000733107350 862723769 /nfs/dbraw/zinc/72/37/69/862723769.db2.gz MNQWWGYQRRAFGO-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN CC(C)NC(=O)c1ccc(NC[C@H](C)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000026730081 856250637 /nfs/dbraw/zinc/25/06/37/856250637.db2.gz LPAJRVNKDZRHMP-INIZCTEOSA-N 0 3 396.491 3.592 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000592187238 856790301 /nfs/dbraw/zinc/79/03/01/856790301.db2.gz MSGFBHZWQFJCBX-CTNGQTDRSA-N 0 3 380.444 3.728 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173350526 856877838 /nfs/dbraw/zinc/87/78/38/856877838.db2.gz NFEIDICUDFFUKA-BLLLJJGKSA-N 0 3 384.354 3.704 20 5 GHBDHN C[C@]1(c2cccc(F)c2)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000593041246 857195546 /nfs/dbraw/zinc/19/55/46/857195546.db2.gz PBRCOKWIKVDMIA-NRFANRHFSA-N 0 3 399.422 3.696 20 5 GHBDHN C[C@@H]1CN(Cc2ccc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000594489926 858189559 /nfs/dbraw/zinc/18/95/59/858189559.db2.gz HUPRYBACTCZTAK-YVHKJVDXSA-N 0 3 395.503 3.981 20 5 GHBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521673567 858231404 /nfs/dbraw/zinc/23/14/04/858231404.db2.gz WEXQSYQAYVGFNE-OKILXGFUSA-N 0 3 388.493 3.711 20 5 GHBDHN CC(C)(C)c1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1[N+](=O)[O-] ZINC000595258195 858456302 /nfs/dbraw/zinc/45/63/02/858456302.db2.gz SHALVVZRKXPADR-LJQANCHMSA-N 0 3 383.448 3.806 20 5 GHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C2CCC(C)CC2)CC1 ZINC000115566984 858571614 /nfs/dbraw/zinc/57/16/14/858571614.db2.gz KRJOEMLSXRWPMR-PQUAAJSLSA-N 0 3 399.495 3.902 20 5 GHBDHN COc1cccc(OC)c1OC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000522268985 858925329 /nfs/dbraw/zinc/92/53/29/858925329.db2.gz AYJTWYMBOVIKFK-UHFFFAOYSA-N 0 3 386.448 3.698 20 5 GHBDHN COc1ccc(C[C@H](C)N[C@H](CO)c2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC001170326112 881363317 /nfs/dbraw/zinc/36/33/17/881363317.db2.gz DWOIVVLEDYLJKS-MEDUHNTESA-N 0 3 382.819 3.650 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000116627305 859063092 /nfs/dbraw/zinc/06/30/92/859063092.db2.gz UAYGLTSKOOXNNO-UHFFFAOYSA-N 0 3 377.828 3.717 20 5 GHBDHN COc1ccc(C[C@H](C)N(C)Cc2cncc(Br)c2)c([N+](=O)[O-])c1 ZINC001170335163 881380608 /nfs/dbraw/zinc/38/06/08/881380608.db2.gz LWXJSKQXTLZXMY-LBPRGKRZSA-N 0 3 394.269 3.824 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@@H](Oc3cccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170355655 881399704 /nfs/dbraw/zinc/39/97/04/881399704.db2.gz NZFUFWQDEPHELR-QFBILLFUSA-N 0 3 385.464 3.781 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000509394573 859302061 /nfs/dbraw/zinc/30/20/61/859302061.db2.gz ZBXARHURDWESQI-HUUCEWRRSA-N 0 3 397.466 3.584 20 5 GHBDHN Cc1ccc([C@@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cc1[N+](=O)[O-] ZINC000161060631 859537566 /nfs/dbraw/zinc/53/75/66/859537566.db2.gz IUBOZPGKCHTHHL-QGZVFWFLSA-N 0 3 377.444 3.964 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000154251502 860036581 /nfs/dbraw/zinc/03/65/81/860036581.db2.gz BLWBPFQKPFXOLX-CRAIPNDOSA-N 0 3 389.496 3.825 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](c3ccccc3)c3ccccn3)CC2)cn1 ZINC000602500286 860065826 /nfs/dbraw/zinc/06/58/26/860065826.db2.gz YHVYGNWDTHVXEA-JOCHJYFZSA-N 0 3 389.459 3.733 20 5 GHBDHN COc1ccc(C2(CNCc3nc4cc([N+](=O)[O-])ccc4o3)CCOCC2)cc1 ZINC000602522753 860077198 /nfs/dbraw/zinc/07/71/98/860077198.db2.gz WKKZENDVOJOFEU-UHFFFAOYSA-N 0 3 397.431 3.583 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccsc3Br)CC2)cn1 ZINC000602659442 860196619 /nfs/dbraw/zinc/19/66/19/860196619.db2.gz QFVNAHOKJKEGEZ-UHFFFAOYSA-N 0 3 397.298 3.572 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3CCN(CC(F)F)CC3)cs2)c1 ZINC000598918731 860675463 /nfs/dbraw/zinc/67/54/63/860675463.db2.gz XREKSKMDNCDRLR-UHFFFAOYSA-N 0 3 396.463 3.785 20 5 GHBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1OC ZINC000603474558 860736261 /nfs/dbraw/zinc/73/62/61/860736261.db2.gz OVAWXNUORUWMEE-MRXNPFEDSA-N 0 3 379.844 3.980 20 5 GHBDHN CN1CCN(Cc2ccc(CNc3ccc4cnccc4c3[N+](=O)[O-])cc2)CC1 ZINC000599018609 860741834 /nfs/dbraw/zinc/74/18/34/860741834.db2.gz BBCPCSXPKXIDRC-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN CCC[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000482536674 863286590 /nfs/dbraw/zinc/28/65/90/863286590.db2.gz MUWNNMPHLOPETG-KXBFYZLASA-N 0 3 380.391 3.744 20 5 GHBDHN Cc1c(Cl)cccc1N1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000792887608 881773653 /nfs/dbraw/zinc/77/36/53/881773653.db2.gz JAQZEWHCRWRJAI-FQEVSTJZSA-N 0 3 389.883 3.802 20 5 GHBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475312287 864762697 /nfs/dbraw/zinc/76/26/97/864762697.db2.gz MEDFDYPNSBERRS-GOSISDBHSA-N 0 3 387.867 3.524 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC[C@@H]2c2ccccc2C)cc1[N+](=O)[O-] ZINC000475555070 866270838 /nfs/dbraw/zinc/27/08/38/866270838.db2.gz VIICQHYVCLQAIN-GOSISDBHSA-N 0 3 384.432 3.792 20 5 GHBDHN CC[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)N1CCc2ccccc2C1 ZINC000478764952 866599680 /nfs/dbraw/zinc/59/96/80/866599680.db2.gz YJTPDSRTKHCVMS-HXUWFJFHSA-N 0 3 396.491 3.539 20 5 GHBDHN Cn1cc(CN2CC=C(c3ccc(O)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000122259888 869247163 /nfs/dbraw/zinc/24/71/63/869247163.db2.gz LYNDSJSPVNUAFR-UHFFFAOYSA-N 0 3 390.443 3.990 20 5 GHBDHN COc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272807698 870282279 /nfs/dbraw/zinc/28/22/79/870282279.db2.gz ITMLMSAGVXTHGN-UHFFFAOYSA-N 0 3 398.463 3.732 20 5 GHBDHN CN(c1ccccc1)c1ccc(CN2CCC(CCC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000538719451 870414005 /nfs/dbraw/zinc/41/40/05/870414005.db2.gz LTSUWMAORIONBC-UHFFFAOYSA-N 0 3 396.491 3.840 20 5 GHBDHN COc1ccc(CNCCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000109350002 882465747 /nfs/dbraw/zinc/46/57/47/882465747.db2.gz PWUAQYHWNJXSIW-UHFFFAOYSA-N 0 3 388.811 3.639 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2(CCCC2)OC(C)(C)C1 ZINC000443322028 871081189 /nfs/dbraw/zinc/08/11/89/871081189.db2.gz RWVCCSWNJMCVDO-UHFFFAOYSA-N 0 3 375.469 3.655 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000539091331 871292736 /nfs/dbraw/zinc/29/27/36/871292736.db2.gz HWEVVCLQVBHAAI-QGZVFWFLSA-N 0 3 377.444 3.964 20 5 GHBDHN COc1ccc(OCCN(C)CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000441265383 871660012 /nfs/dbraw/zinc/66/00/12/871660012.db2.gz MEVQMCJCVQKKTH-UHFFFAOYSA-N 0 3 380.828 3.646 20 5 GHBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2cccs2)c1[N+](=O)[O-] ZINC000186756365 872021968 /nfs/dbraw/zinc/02/19/68/872021968.db2.gz OJYSAWWULWOZJJ-UHFFFAOYSA-N 0 3 379.507 3.582 20 5 GHBDHN COc1cnccc1N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000478462809 873062892 /nfs/dbraw/zinc/06/28/92/873062892.db2.gz UFUMXHFXCDNKNR-UHFFFAOYSA-N 0 3 398.466 3.754 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000770143498 874493618 /nfs/dbraw/zinc/49/36/18/874493618.db2.gz MKSHVEOUYCLUCL-ICFOKQHNSA-N 0 3 394.475 3.779 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000449299541 874687126 /nfs/dbraw/zinc/68/71/26/874687126.db2.gz NGMSGVSHUVZCIW-DOMZBBRYSA-N 0 3 384.354 3.748 20 5 GHBDHN COc1cc(CNCC(C)(C)c2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449393407 874788773 /nfs/dbraw/zinc/78/87/73/874788773.db2.gz BVYWUPPVARKTAH-UHFFFAOYSA-N 0 3 395.406 3.710 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000449616790 875156980 /nfs/dbraw/zinc/15/69/80/875156980.db2.gz RRNNVNRUSWLXFW-CXAGYDPISA-N 0 3 379.363 3.601 20 5 GHBDHN CCN1CCN(c2ccc(N[C@H](C)c3ccc([N+](=O)[O-])cc3OC)cc2)CC1 ZINC000850449119 876932500 /nfs/dbraw/zinc/93/25/00/876932500.db2.gz FQDUHISUSHZKBU-MRXNPFEDSA-N 0 3 384.480 3.918 20 5 GHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)OCC1CCN(Cc2ccco2)CC1 ZINC000772689793 876971503 /nfs/dbraw/zinc/97/15/03/876971503.db2.gz GPIABXCXMGPSIC-UHFFFAOYSA-N 0 3 390.461 3.735 20 5 GHBDHN C[C@H](NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850579703 877051907 /nfs/dbraw/zinc/05/19/07/877051907.db2.gz YMOSQUONQSEDML-HNAYVOBHSA-N 0 3 385.464 3.723 20 5 GHBDHN COc1cccc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1Cl ZINC000851108048 877414285 /nfs/dbraw/zinc/41/42/85/877414285.db2.gz IKSCVCDKYLKWPS-ADLMAVQZSA-N 0 3 381.787 3.980 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326422 877805299 /nfs/dbraw/zinc/80/52/99/877805299.db2.gz CYILPHLDEPVPJP-GOSISDBHSA-N 0 3 391.855 3.551 20 5 GHBDHN COc1ccccc1O[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086080 878146922 /nfs/dbraw/zinc/14/69/22/878146922.db2.gz OYENFWVVQMTMDR-LJQANCHMSA-N 0 3 386.448 3.916 20 5 GHBDHN CCc1nc2ccccc2n1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776606239 878419264 /nfs/dbraw/zinc/41/92/64/878419264.db2.gz UOXXKJINUDPWQM-OAQYLSRUSA-N 0 3 394.475 3.877 20 5 GHBDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2cccc([N+](=O)[O-])c2Br)cn1 ZINC000852562019 878423850 /nfs/dbraw/zinc/42/38/50/878423850.db2.gz ZFADQNAWMUOQLN-UKRRQHHQSA-N 0 3 393.285 3.592 20 5 GHBDHN COc1ccc(-n2ccc(CN[C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)n2)cc1 ZINC000537971604 878644211 /nfs/dbraw/zinc/64/42/11/878644211.db2.gz YHKDTNUDSSDHKO-NRFANRHFSA-N 0 3 392.459 3.900 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc1 ZINC000531348999 879671098 /nfs/dbraw/zinc/67/10/98/879671098.db2.gz AKBPHMYSSACUNA-UHFFFAOYSA-N 0 3 390.403 3.559 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)N(C)C)cc1 ZINC000854305201 879707620 /nfs/dbraw/zinc/70/76/20/879707620.db2.gz KUAGDJIIRSUOSO-MRXNPFEDSA-N 0 3 391.418 3.777 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000538606494 879798402 /nfs/dbraw/zinc/79/84/02/879798402.db2.gz VOWBFUPBXDPYOT-RDJZCZTQSA-N 0 3 397.566 3.605 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000854486763 879846762 /nfs/dbraw/zinc/84/67/62/879846762.db2.gz HRNSDYGHDXZADG-UHFFFAOYSA-N 0 3 390.871 3.546 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494068253 879891255 /nfs/dbraw/zinc/89/12/55/879891255.db2.gz GAKIFHPOTNRHRS-MJGOQNOKSA-N 0 3 381.476 3.913 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000551086622 883263849 /nfs/dbraw/zinc/26/38/49/883263849.db2.gz VYVVSFXJTUAZGR-NRFANRHFSA-N 0 3 396.491 3.682 20 5 GHBDHN CCOc1ccc(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000609566686 883349612 /nfs/dbraw/zinc/34/96/12/883349612.db2.gz DENUDPTYIDKTJA-UHFFFAOYSA-N 0 3 383.448 3.735 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@H](c2cccc(OC)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000212672626 884089289 /nfs/dbraw/zinc/08/92/89/884089289.db2.gz BIDSVZXCIPDZDU-YBNHLDJLSA-N 0 3 399.447 3.504 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@H](C)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914571942 884177873 /nfs/dbraw/zinc/17/78/73/884177873.db2.gz UMGSSRHWPWLRLG-YHWKNFMLSA-N 0 3 395.459 3.640 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@H](C)Cn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000556261434 884271920 /nfs/dbraw/zinc/27/19/20/884271920.db2.gz SBVJRIZQICJOIH-CHWSQXEVSA-N 0 3 394.269 3.567 20 5 GHBDHN COc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193352687 885668588 /nfs/dbraw/zinc/66/85/88/885668588.db2.gz ODVYHMBMBVHJHN-XCLFUZPHSA-N 0 3 399.447 3.680 20 5 GHBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000808076410 885977844 /nfs/dbraw/zinc/97/78/44/885977844.db2.gz VFGOVXNTHWNXJF-YFHOEESVSA-N 0 3 388.427 3.505 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000174802868 887052846 /nfs/dbraw/zinc/05/28/46/887052846.db2.gz VNLDAFTUJHUISO-LJQANCHMSA-N 0 3 376.840 3.825 20 5 GHBDHN CC(C)(C)OC(=O)C1CCC(O)(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000863551602 887207454 /nfs/dbraw/zinc/20/74/54/887207454.db2.gz LJHZVCBKAUHVPG-UHFFFAOYSA-N 0 3 398.887 3.601 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762975422 887476988 /nfs/dbraw/zinc/47/69/88/887476988.db2.gz WCLMLYSZBHOORN-JJXUHFIVSA-N 0 3 379.460 3.841 20 5 GHBDHN CCc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001132390834 888782415 /nfs/dbraw/zinc/78/24/15/888782415.db2.gz RCPGOXYZBRVFBB-FQEVSTJZSA-N 0 3 381.476 3.942 20 5 GHBDHN CC(C)(C)OC(=O)N1CC(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811486284 889636215 /nfs/dbraw/zinc/63/62/15/889636215.db2.gz LCBGAIJAKWUTIF-UHFFFAOYSA-N 0 3 390.267 3.858 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC001133257756 890560852 /nfs/dbraw/zinc/56/08/52/890560852.db2.gz VIBAWMYDIMFBLW-SFHVURJKSA-N 0 3 397.475 3.730 20 5 GHBDHN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813103689 891274648 /nfs/dbraw/zinc/27/46/48/891274648.db2.gz FIWUTZGLMYRDHS-SNVBAGLBSA-N 0 3 393.852 3.930 20 5 GHBDHN COCc1ccccc1/C=C(/C)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000508677405 892258195 /nfs/dbraw/zinc/25/81/95/892258195.db2.gz HADCNGYTRYSQRU-QMDZLVRISA-N 0 3 382.464 3.726 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000536831172 893940395 /nfs/dbraw/zinc/94/03/95/893940395.db2.gz GCXAHQOMRXIYFR-ROUUACIJSA-N 0 3 399.516 3.856 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000564120251 894620164 /nfs/dbraw/zinc/62/01/64/894620164.db2.gz LGDXURAUDIKVAA-CVEARBPZSA-N 0 3 387.505 3.712 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000564603423 895116148 /nfs/dbraw/zinc/11/61/48/895116148.db2.gz HBFFNAMZVJTLQS-INIZCTEOSA-N 0 3 399.344 3.785 20 5 GHBDHN COC(=O)Cc1ccc(NC[C@H](c2ccc(Cl)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC001185584790 913975084 /nfs/dbraw/zinc/97/50/84/913975084.db2.gz STLFVMCDPZEOGU-GOSISDBHSA-N 0 3 391.855 3.679 20 5 GHBDHN CCc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)cc1[N+](=O)[O-] ZINC001136037493 895938676 /nfs/dbraw/zinc/93/86/76/895938676.db2.gz ICXQEZYGNCWRQU-OAQYLSRUSA-N 0 3 399.491 3.979 20 5 GHBDHN CO[C@H](C)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000566646290 896449204 /nfs/dbraw/zinc/44/92/04/896449204.db2.gz HCLWFFYWLIBKQV-MRXNPFEDSA-N 0 3 380.448 3.914 20 5 GHBDHN C[C@H](CN(C)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001170959996 897800615 /nfs/dbraw/zinc/80/06/15/897800615.db2.gz SPHGBYWXCMAPLO-LLVKDONJSA-N 0 3 387.274 3.767 20 5 GHBDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000101911500 897979944 /nfs/dbraw/zinc/97/99/44/897979944.db2.gz HSBQRUAHZSSSAW-KRWDZBQOSA-N 0 3 392.499 3.930 20 5 GHBDHN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H](N2CCCCC2)C1 ZINC000568954383 898235569 /nfs/dbraw/zinc/23/55/69/898235569.db2.gz NMBKFEDEXRIJHN-NSHDSACASA-N 0 3 394.344 3.709 20 5 GHBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001136754727 899148936 /nfs/dbraw/zinc/14/89/36/899148936.db2.gz BWGOCIPPXITTQC-KRWDZBQOSA-N 0 3 383.448 3.991 20 5 GHBDHN C[C@@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC001144568810 902399706 /nfs/dbraw/zinc/39/97/06/902399706.db2.gz ONRYMNBIXOSQOI-HXUWFJFHSA-N 0 3 387.867 3.572 20 5 GHBDHN CC([C@@H](OC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845873198 902475385 /nfs/dbraw/zinc/47/53/85/902475385.db2.gz RZZUVZNUVDKWFO-BFUOFWGJSA-N 0 3 399.378 3.758 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872997 902476578 /nfs/dbraw/zinc/47/65/78/902476578.db2.gz AOXRPQJOIRZTTN-DINDLPBHSA-N 0 3 383.322 3.821 20 5 GHBDHN CC([C@@H](OC(=O)CCCc1nc(C(C)(C)C)no1)c1ccccc1F)[N+](=O)[O-] ZINC000845879604 902482475 /nfs/dbraw/zinc/48/24/75/902482475.db2.gz YAAWHMPTZDBPDC-YVEFUNNKSA-N 0 3 393.415 3.779 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F)[N+](=O)[O-] ZINC000845879988 902485176 /nfs/dbraw/zinc/48/51/76/902485176.db2.gz JOESJFLPYFDJAY-NVGCLXPQSA-N 0 3 376.340 3.787 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](n3cncn3)C(F)(F)F)s2)cc1 ZINC000601145037 903388295 /nfs/dbraw/zinc/38/82/95/903388295.db2.gz ZKXYQLZVJLCANV-HNNXBMFYSA-N 0 3 397.382 3.808 20 5 GHBDHN O=C1[C@H](N[C@@H](c2ccc(F)cc2)C2CCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303387156 914726475 /nfs/dbraw/zinc/72/64/75/914726475.db2.gz MUJDWVSCODBVRE-WOJBJXKFSA-N 0 3 383.423 3.970 20 5 GHBDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216399504 904686793 /nfs/dbraw/zinc/68/67/93/904686793.db2.gz VNFNAJAFBWREON-CYBMUJFWSA-N 0 3 385.247 3.773 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000801586555 921167233 /nfs/dbraw/zinc/16/72/33/921167233.db2.gz ACMYURMKUDUERL-MRXNPFEDSA-N 0 3 381.448 3.859 20 5 GHBDHN CCOC(=O)[C@@]1(C)CCCCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180194 906257915 /nfs/dbraw/zinc/25/79/15/906257915.db2.gz JFWOCNUTBBHCFF-XOBRGWDASA-N 0 3 396.459 3.729 20 5 GHBDHN COc1ccc2c(c1)[C@H](N[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])CCO2 ZINC001173184247 906265882 /nfs/dbraw/zinc/26/58/82/906265882.db2.gz PFXHMALKUUFMNQ-BLLLJJGKSA-N 0 3 390.411 3.796 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)c(C)c2)CC1 ZINC000195660953 909029569 /nfs/dbraw/zinc/02/95/69/909029569.db2.gz NVNXOSCQYUEDDV-UHFFFAOYSA-N 0 3 397.479 3.998 20 5 GHBDHN C[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000270116388 910446482 /nfs/dbraw/zinc/44/64/82/910446482.db2.gz NSLXBNBBFHLCAU-GMYLUUGSSA-N 0 3 398.488 3.584 20 5 GHBDHN CCOC(=O)[C@H]1CC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc21 ZINC000283354697 911474366 /nfs/dbraw/zinc/47/43/66/911474366.db2.gz MSGQFGSZOHPOON-ROUUACIJSA-N 0 3 384.432 3.875 20 5 GHBDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000284191090 911784758 /nfs/dbraw/zinc/78/47/58/911784758.db2.gz RPDSOHBTKJSFLR-FMTVUPSXSA-N 0 3 384.436 3.698 20 5 GHBDHN COc1c(O)ccc(CN2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001182902844 912130108 /nfs/dbraw/zinc/13/01/08/912130108.db2.gz SQODAEHWDRCJKC-IBGZPJMESA-N 0 3 399.491 3.651 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000802008671 921745236 /nfs/dbraw/zinc/74/52/36/921745236.db2.gz NJIKVUDPGWUGFG-FQEVSTJZSA-N 0 3 375.469 3.818 20 5 GHBDHN COC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000775445049 917842484 /nfs/dbraw/zinc/84/24/84/917842484.db2.gz ZWGXUSXBUOGYPJ-SJORKVTESA-N 0 3 384.354 3.624 20 5 GHBDHN Cc1ccc(N2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H](C)C2)cc1C ZINC001191365581 917969017 /nfs/dbraw/zinc/96/90/17/917969017.db2.gz CDGYCCFPSIWSQG-SFHVURJKSA-N 0 3 396.491 3.751 20 5 GHBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)s1 ZINC000117333963 919537774 /nfs/dbraw/zinc/53/77/74/919537774.db2.gz LODPLWUUFLHVTR-UHFFFAOYSA-N 0 3 381.841 3.740 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298273523 920361755 /nfs/dbraw/zinc/36/17/55/920361755.db2.gz BUENEXKTPKVDEH-UHFFFAOYSA-N 0 3 377.828 3.578 20 5 GHBDHN CSc1ccccc1OC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411198591 926208722 /nfs/dbraw/zinc/20/87/22/926208722.db2.gz ZNAHBRWGKJBNNV-GOSISDBHSA-N 0 3 390.505 3.967 20 5 GHBDHN COc1ccc(CCC2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000749661719 927226333 /nfs/dbraw/zinc/22/63/33/927226333.db2.gz IIRYLFHGNOEILO-QFIPXVFZSA-N 0 3 384.476 3.982 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000467717222 929334572 /nfs/dbraw/zinc/33/45/72/929334572.db2.gz ZTYIHOOZNWSCHK-IFXJQAMLSA-N 0 3 381.432 3.600 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000544758898 929545025 /nfs/dbraw/zinc/54/50/25/929545025.db2.gz XBJKELQGOONPGZ-UHFFFAOYSA-N 0 3 378.432 3.824 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758336990 930014074 /nfs/dbraw/zinc/01/40/74/930014074.db2.gz TZQFRQJNDZHCRP-KXBFYZLASA-N 0 3 384.411 3.882 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000546570973 930271050 /nfs/dbraw/zinc/27/10/50/930271050.db2.gz DZSPDGPREYJCRY-IBGZPJMESA-N 0 3 387.455 3.739 20 5 GHBDHN COCCCC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000471025567 931103973 /nfs/dbraw/zinc/10/39/73/931103973.db2.gz NEPQLRZZDCRXOL-FQEVSTJZSA-N 0 3 397.475 3.632 20 5 GHBDHN O=C(CCN1CCCO[C@H](c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488926 931240654 /nfs/dbraw/zinc/24/06/54/931240654.db2.gz KIVNCVYIDRLVRB-IBGZPJMESA-N 0 3 387.411 3.526 20 5 GHBDHN Cc1cc([C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)ccc1F ZINC000557709350 931623835 /nfs/dbraw/zinc/62/38/35/931623835.db2.gz MYULQVKDNSHFIZ-PMACEKPBSA-N 0 3 383.423 3.889 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(Br)ccc2F)n1 ZINC000559879609 932919409 /nfs/dbraw/zinc/91/94/09/932919409.db2.gz YVYXWJVMMGQUGU-GJZGRUSLSA-N 0 3 397.248 3.966 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000560161900 933101116 /nfs/dbraw/zinc/10/11/16/933101116.db2.gz GKMSXBKMMUYXLV-QFIPXVFZSA-N 0 3 395.503 3.850 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC001116155757 933368118 /nfs/dbraw/zinc/36/81/18/933368118.db2.gz HIYKZTIPRMGRMR-SFHVURJKSA-N 0 3 388.493 3.765 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC(CCN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001116442942 933561381 /nfs/dbraw/zinc/56/13/81/933561381.db2.gz YSGGXXXDUHLCNY-UHFFFAOYSA-N 0 3 389.496 3.990 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000561262096 934000459 /nfs/dbraw/zinc/00/04/59/934000459.db2.gz FKXGYGFJZVELOZ-UHFFFAOYSA-N 0 3 385.411 3.534 20 5 GHBDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000561434092 934156525 /nfs/dbraw/zinc/15/65/25/934156525.db2.gz APRLWKPKBCEFEB-LPHOPBHVSA-N 0 3 379.460 3.889 20 5 GHBDHN O=C(N1C[C@H]2CCCN2Cc2ccccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777946370 934302166 /nfs/dbraw/zinc/30/21/66/934302166.db2.gz HTZWOHURSIZOLP-QGZVFWFLSA-N 0 3 387.386 3.698 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532221056 1014561743 /nfs/dbraw/zinc/56/17/43/1014561743.db2.gz JRIDJXJMSXPEBE-WIYYLYMNSA-N 0 3 382.508 3.543 20 5 GHBDHN CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544850219 1015099578 /nfs/dbraw/zinc/09/95/78/1015099578.db2.gz QOGCIMIGXCSADH-GOSISDBHSA-N 0 3 387.867 3.985 20 5 GHBDHN COc1cc(OC)cc(N2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000468146724 1015333287 /nfs/dbraw/zinc/33/32/87/1015333287.db2.gz WCHZTACDFRDGBK-MRXNPFEDSA-N 0 3 385.464 3.885 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(CN2CCN(C)CC2)c1 ZINC000468635261 1015862981 /nfs/dbraw/zinc/86/29/81/1015862981.db2.gz NLCOHPSNGAMUJG-AQTBWJFISA-N 0 3 380.492 3.858 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccnc(OC2CCOCC2)c1 ZINC000468641061 1015865704 /nfs/dbraw/zinc/86/57/04/1015865704.db2.gz CKNKXVBRUCDJEU-LFIBNONCSA-N 0 3 383.448 3.741 20 5 GHBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1C ZINC000470155675 1016740030 /nfs/dbraw/zinc/74/00/30/1016740030.db2.gz BKMCIZLABFPMQL-BXUZGUMPSA-N 0 3 378.812 3.892 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470137097 1016734035 /nfs/dbraw/zinc/73/40/35/1016734035.db2.gz REVUOYRQZZDSJA-UHFFFAOYSA-N 0 3 386.427 3.862 20 5 GHBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3nc4ccccc4c4ccccc43)C[C@H]1N2C ZINC001226993831 1032224907 /nfs/dbraw/zinc/22/49/07/1032224907.db2.gz YYYYBDBVHFBSNS-RZTYQLBFSA-N 0 3 376.456 3.934 20 5 GHBDHN CCOc1cc(CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)ccc1[N+](=O)[O-] ZINC000933070419 1018829555 /nfs/dbraw/zinc/82/95/55/1018829555.db2.gz OCVSPFZTXCZORZ-LJQANCHMSA-N 0 3 398.459 3.844 20 5 GHBDHN CCc1c(Cl)cc([N+](=O)[O-])c(OC2CCN(CCOC)CC2)c1Cl ZINC001228258785 1032868338 /nfs/dbraw/zinc/86/83/38/1032868338.db2.gz QDTQJAAMOXJBBW-UHFFFAOYSA-N 0 3 377.268 3.954 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000836498452 1023034205 /nfs/dbraw/zinc/03/42/05/1023034205.db2.gz PTYNAVBCZYTXBK-SFHVURJKSA-N 0 3 375.856 3.898 20 5 GHBDHN COc1cccc([C@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)N(C)C)c1 ZINC001161923353 1025497800 /nfs/dbraw/zinc/49/78/00/1025497800.db2.gz AUPKNOXVXMMSSH-KRWDZBQOSA-N 0 3 379.844 3.980 20 5 GHBDHN COc1ccccc1[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])N1CCCC1 ZINC001161924305 1025498006 /nfs/dbraw/zinc/49/80/06/1025498006.db2.gz REKVJTOUGJKVJQ-IBGZPJMESA-N 0 3 392.459 3.823 20 5 GHBDHN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCCN(Cc4ccncc4)CC3)ccc21 ZINC001163827730 1026329293 /nfs/dbraw/zinc/32/92/93/1026329293.db2.gz ZPCHPFPDQBKUJN-UHFFFAOYSA-N 0 3 397.866 3.904 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001222515757 1030176052 /nfs/dbraw/zinc/17/60/52/1030176052.db2.gz GYVKKFJGDMYSNZ-JTSKRJEESA-N 0 3 396.491 3.928 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001222515756 1030176565 /nfs/dbraw/zinc/17/65/65/1030176565.db2.gz GYVKKFJGDMYSNZ-HTAPYJJXSA-N 0 3 396.491 3.928 20 5 GHBDHN COC(=O)[C@H](O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223640614 1030677506 /nfs/dbraw/zinc/67/75/06/1030677506.db2.gz WSURYUMNFSSMTM-ZLGUVYLKSA-N 0 3 398.459 3.736 20 5 GHBDHN Nc1ccc2n(C(=O)[C@@H]3C[C@H](c4ccccc4)CCN3)c3ccccc3cc-2c1=O ZINC001219255565 1031327972 /nfs/dbraw/zinc/32/79/72/1031327972.db2.gz FYBGFYZSXUXQQJ-UTKZUKDTSA-N 0 3 397.478 3.865 20 5 GHBDHN C[S@](=O)[C@H]1CC[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001461803916 1069758404 /nfs/dbraw/zinc/75/84/04/1069758404.db2.gz DUORUXMRNNAFMB-CIRKLDFFSA-N 0 3 382.869 3.897 20 5 GHBDHN CN(C)CCC(=O)c1ccc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001229302662 1033403417 /nfs/dbraw/zinc/40/34/17/1033403417.db2.gz LZUHUVCIEDGMLJ-UHFFFAOYSA-N 0 3 397.475 3.777 20 5 GHBDHN Cc1ccc(-c2ccc(N3CCN[C@H](c4ccccc4)C3)nn2)cc1[N+](=O)[O-] ZINC001157765161 1033759093 /nfs/dbraw/zinc/75/90/93/1033759093.db2.gz ODNPJZXCPXQVNQ-IBGZPJMESA-N 0 3 375.432 3.511 20 5 GHBDHN C[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@H](C)CN1Cc1ccccc1 ZINC001158524158 1034127238 /nfs/dbraw/zinc/12/72/38/1034127238.db2.gz RRTGVXDFYPUHCU-HZPDHXFCSA-N 0 3 377.448 3.637 20 5 GHBDHN NCc1ccc2c(n1)N(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CCC2 ZINC001158655630 1034218060 /nfs/dbraw/zinc/21/80/60/1034218060.db2.gz IHNNJNWMRCPXMT-UHFFFAOYSA-N 0 3 379.395 3.734 20 5 GHBDHN O=[N+]([O-])c1cc2ccccc2nc1NC1CCN(Cc2ccc(O)cc2)CC1 ZINC001161137378 1035156119 /nfs/dbraw/zinc/15/61/19/1035156119.db2.gz RTJZSOJGZBZYFE-UHFFFAOYSA-N 0 3 378.432 3.925 20 5 GHBDHN CC(C)Oc1ncnc2c1CCN(Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232220386 1035169393 /nfs/dbraw/zinc/16/93/93/1035169393.db2.gz NHWRIVZCSYZOHE-UHFFFAOYSA-N 0 3 399.498 3.961 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001462052333 1069968614 /nfs/dbraw/zinc/96/86/14/1069968614.db2.gz LUEGJPXIORJXFQ-ZIAGYGMSSA-N 0 3 387.484 3.923 20 5 GHBDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001462121104 1070011991 /nfs/dbraw/zinc/01/19/91/1070011991.db2.gz MCGSJTUTHITRMA-OLZOCXBDSA-N 0 3 390.440 3.662 20 5 GHBDHN CCN(C(=O)OC(C)(C)C)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601007 1040370979 /nfs/dbraw/zinc/37/09/79/1040370979.db2.gz UWHZAOSGXPQKTQ-IBGZPJMESA-N 0 3 389.496 3.783 20 5 GHBDHN COc1cc(N2CCC(NCc3cc(F)cc(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC001256085272 1041515130 /nfs/dbraw/zinc/51/51/30/1041515130.db2.gz MPZUTEODQPCWNQ-UHFFFAOYSA-N 0 3 395.381 3.779 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001292456270 1043741860 /nfs/dbraw/zinc/74/18/60/1043741860.db2.gz NMACGOPAFJTENP-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001294375962 1044594561 /nfs/dbraw/zinc/59/45/61/1044594561.db2.gz IOFYIXNXXVNCTN-UHFFFAOYSA-N 0 3 379.420 3.607 20 5 GHBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C(C)(C)C1 ZINC001304042175 1047569331 /nfs/dbraw/zinc/56/93/31/1047569331.db2.gz YBRSSGBSGZYKGO-IBGZPJMESA-N 0 3 383.448 3.847 20 5 GHBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C(C)(C)C1 ZINC001304042178 1047570042 /nfs/dbraw/zinc/57/00/42/1047570042.db2.gz YBRSSGBSGZYKGO-LJQANCHMSA-N 0 3 383.448 3.847 20 5 GHBDHN COc1cccc([C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])N2CCCC2)c1 ZINC001306912323 1048957006 /nfs/dbraw/zinc/95/70/06/1048957006.db2.gz HXTUNKJSMDAHQQ-HXUWFJFHSA-N 0 3 392.459 3.823 20 5 GHBDHN Cn1c2ccccc2c(NC[C@@H]2CCN2C2CCCCCC2)c([N+](=O)[O-])c1=O ZINC001307191044 1049128956 /nfs/dbraw/zinc/12/89/56/1049128956.db2.gz MBUWLGZIKPQSPJ-INIZCTEOSA-N 0 3 384.480 3.656 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC001308466691 1049982645 /nfs/dbraw/zinc/98/26/45/1049982645.db2.gz ZWWJHCGKFANCFD-SFHVURJKSA-N 0 3 389.883 3.860 20 5 GHBDHN Cc1c(NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259130 1051973408 /nfs/dbraw/zinc/97/34/08/1051973408.db2.gz UHPJWLBURBJHDX-PSLIRLAXSA-N 0 3 386.374 3.526 20 5 GHBDHN C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001312818534 1052881746 /nfs/dbraw/zinc/88/17/46/1052881746.db2.gz YVYLWAYHOVPWOB-JXXFODFXSA-N 0 3 382.464 3.618 20 5 GHBDHN CC([C@H](OC(=O)C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC001344022506 1054195984 /nfs/dbraw/zinc/19/59/84/1054195984.db2.gz OKSFEKYYLHWFDL-UVARLRKDSA-N 0 3 386.379 3.591 20 5 GHBDHN C[C@H](CN1CCOCC1)N(C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001344075210 1054228413 /nfs/dbraw/zinc/22/84/13/1054228413.db2.gz JXGLMZWIPUNSBY-CQSZACIVSA-N 0 3 393.871 3.661 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001320081927 1055644677 /nfs/dbraw/zinc/64/46/77/1055644677.db2.gz XWVSWYDBAPUHOC-IBGZPJMESA-N 0 3 375.856 3.858 20 5 GHBDHN CCOC(=O)N1CC[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320460272 1055813803 /nfs/dbraw/zinc/81/38/03/1055813803.db2.gz BCITYOLXKCLYBI-ZDUSSCGKSA-N 0 3 393.827 3.829 20 5 GHBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001435209152 1062390433 /nfs/dbraw/zinc/39/04/33/1062390433.db2.gz ZZYKIRGQLNLZOE-INIZCTEOSA-N 0 3 385.439 3.779 20 5 GHBDHN CN1CCC(N(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC001350677197 1064162112 /nfs/dbraw/zinc/16/21/12/1064162112.db2.gz GTHQFMSVBTUWLZ-RTWAWAEBSA-N 0 3 379.460 3.826 20 5 GHBDHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001465485836 1065656069 /nfs/dbraw/zinc/65/60/69/1065656069.db2.gz ARWUKLHRZLJFTH-WTNAPCKOSA-N 0 3 393.487 3.821 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001353856099 1066306963 /nfs/dbraw/zinc/30/69/63/1066306963.db2.gz KOYVIBLJLGCMMR-WTNAPCKOSA-N 0 3 393.487 3.821 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(Cc3cccc(F)c3F)CC2)cc1 ZINC001460234172 1068876496 /nfs/dbraw/zinc/87/64/96/1068876496.db2.gz QDPUCCHEHLVDNC-LJQANCHMSA-N 0 3 376.403 3.861 20 5 GHBDHN CCOc1cc(CN2CC[C@H](CCNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460883759 1069252123 /nfs/dbraw/zinc/25/21/23/1069252123.db2.gz UZPYFOHXWWJVLE-HNNXBMFYSA-N 0 3 393.484 3.730 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001470712357 1072698575 /nfs/dbraw/zinc/69/85/75/1072698575.db2.gz CFMUHBYEJAMGOB-LEWJYISDSA-N 0 3 395.503 3.863 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001470776324 1072732563 /nfs/dbraw/zinc/73/25/63/1072732563.db2.gz GYLFFPHPPXJDHL-QRWLVFNGSA-N 0 3 381.476 3.852 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001470781945 1072738383 /nfs/dbraw/zinc/73/83/83/1072738383.db2.gz YHJYZTODPCRMJP-KXBFYZLASA-N 0 3 381.476 3.852 20 5 GHBDHN Cc1ccc(CNC(=O)N(CCCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC001471081920 1072915504 /nfs/dbraw/zinc/91/55/04/1072915504.db2.gz HASFCHBTKFUKHE-UHFFFAOYSA-N 0 3 398.507 3.609 20 5 GHBDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1cccs1)c1ccccc1[N+](=O)[O-] ZINC001471466726 1073089016 /nfs/dbraw/zinc/08/90/16/1073089016.db2.gz ZERDNHPKNKZSRP-OAHLLOKOSA-N 0 3 390.509 3.533 20 5 GHBDHN C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001479296550 1079174355 /nfs/dbraw/zinc/17/43/55/1079174355.db2.gz DMPTWMOAJRFAJN-QGZVFWFLSA-N 0 3 382.464 3.573 20 5 GHBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001473871471 1074184098 /nfs/dbraw/zinc/18/40/98/1074184098.db2.gz WNFYVZXYVITZLD-KBPBESRZSA-N 0 3 383.286 3.996 20 5 GHBDHN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)[C@H]1C ZINC001473880798 1074189005 /nfs/dbraw/zinc/18/90/05/1074189005.db2.gz BXPWLBMOKTXQHQ-BKEDOTJMSA-N 0 3 378.469 3.792 20 5 GHBDHN CN(c1ccccc1)c1ccc(CN[C@@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC001474224065 1074299461 /nfs/dbraw/zinc/29/94/61/1074299461.db2.gz FUPCBKOLGWSVFR-HXUWFJFHSA-N 0 3 383.448 3.748 20 5 GHBDHN CCOc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])ccc1OC(=O)CC ZINC001474517015 1074444708 /nfs/dbraw/zinc/44/47/08/1074444708.db2.gz NQFFXCSLESKETH-UHFFFAOYSA-N 0 3 386.448 3.983 20 5 GHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CO)Cc1ccc(F)cc1 ZINC001654939235 1126254670 /nfs/dbraw/zinc/25/46/70/1126254670.db2.gz BHGOWYOWSBOXLU-HXUWFJFHSA-N 0 3 376.428 3.604 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000431780549 837468301 /nfs/dbraw/zinc/46/83/01/837468301.db2.gz GANQHORHHNVTDM-LJQANCHMSA-N 0 3 384.480 3.740 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000471126429 834813664 /nfs/dbraw/zinc/81/36/64/834813664.db2.gz YPCOZYGWBSOURG-GOSISDBHSA-N 0 3 399.491 3.880 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H](c3ccco3)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000102419652 835362475 /nfs/dbraw/zinc/36/24/75/835362475.db2.gz GGFZFLJJJIQFMA-GOSISDBHSA-N 0 3 385.420 3.849 20 5 GHBDHN COc1ccc([C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000254969848 835447789 /nfs/dbraw/zinc/44/77/89/835447789.db2.gz VVBSBJQQESYLGO-WLFHQHCLSA-N 0 3 395.459 3.570 20 5 GHBDHN O=C(CCN1CC[C@H](Oc2ccc(Cl)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000584041460 835493141 /nfs/dbraw/zinc/49/31/41/835493141.db2.gz HRSBNNIMUOBLOD-INIZCTEOSA-N 0 3 389.839 3.730 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411153248 836070881 /nfs/dbraw/zinc/07/08/81/836070881.db2.gz AZRKCAFWCJLZDT-RCCFBDPRSA-N 0 3 385.489 3.713 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000179940561 836409703 /nfs/dbraw/zinc/40/97/03/836409703.db2.gz CXSYWIZYIOYEQO-QGZVFWFLSA-N 0 3 396.491 3.870 20 5 GHBDHN O=C(CCN1CC2(CCOCC2)[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411996012 836487365 /nfs/dbraw/zinc/48/73/65/836487365.db2.gz FTFDUIKJBDCBRF-OAQYLSRUSA-N 0 3 395.459 3.777 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246956997 836487736 /nfs/dbraw/zinc/48/77/36/836487736.db2.gz AXMOHDBJHCRNSQ-UKRRQHHQSA-N 0 3 387.402 3.779 20 5 GHBDHN CSc1nnc(CCCNCc2cc([N+](=O)[O-])ccc2Cl)n1CC(C)C ZINC000177559406 836777485 /nfs/dbraw/zinc/77/74/85/836777485.db2.gz WCZAXHZNBJYWIQ-UHFFFAOYSA-N 0 3 397.932 3.940 20 5 GHBDHN CCc1ccc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000175700772 837014970 /nfs/dbraw/zinc/01/49/70/837014970.db2.gz JXJVJGDUHXEUSQ-UHFFFAOYSA-N 0 3 381.476 3.894 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189607215 838317770 /nfs/dbraw/zinc/31/77/70/838317770.db2.gz FDGYIGPWAYZEKC-CJNGLKHVSA-N 0 3 376.375 3.567 20 5 GHBDHN COCCO[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000549409469 838754532 /nfs/dbraw/zinc/75/45/32/838754532.db2.gz HQYKZNRYQGGWOZ-OAHLLOKOSA-N 0 3 376.478 3.951 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000471530047 838755977 /nfs/dbraw/zinc/75/59/77/838755977.db2.gz QJDOSOPHLGOEBG-DOXZYTNZSA-N 0 3 387.505 3.883 20 5 GHBDHN CN(C)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000120230333 838843099 /nfs/dbraw/zinc/84/30/99/838843099.db2.gz ZQWUACAKKAANDL-UHFFFAOYSA-N 0 3 392.253 3.566 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2ccc(F)c(F)c2F)c1 ZINC000541384679 839105749 /nfs/dbraw/zinc/10/57/49/839105749.db2.gz ZLSVTMMHIBVSDN-UHFFFAOYSA-N 0 3 376.281 3.946 20 5 GHBDHN COc1ccc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541105550 839174244 /nfs/dbraw/zinc/17/42/44/839174244.db2.gz BDNJMGTUGUQDHX-RHSMWYFYSA-N 0 3 384.436 3.560 20 5 GHBDHN CCN1CC[C@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC000275822375 839245733 /nfs/dbraw/zinc/24/57/33/839245733.db2.gz SMYDUQCGXWFYPG-BTYIYWSLSA-N 0 3 377.488 3.896 20 5 GHBDHN COc1cc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C ZINC000549243211 839504810 /nfs/dbraw/zinc/50/48/10/839504810.db2.gz YYOLYEJPRKXXFP-MRXNPFEDSA-N 0 3 391.855 3.598 20 5 GHBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275924553 839886632 /nfs/dbraw/zinc/88/66/32/839886632.db2.gz GXGSDCNWDVDUEP-KKSFZXQISA-N 0 3 375.472 3.650 20 5 GHBDHN CCCN(CCN1CCCC1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561204872 840306908 /nfs/dbraw/zinc/30/69/08/840306908.db2.gz HJJQUTSDJTYQDU-UHFFFAOYSA-N 0 3 388.493 3.666 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1Cn1cncn1)CCCC2 ZINC000417309918 840708061 /nfs/dbraw/zinc/70/80/61/840708061.db2.gz GMUMCLYVQZBXOW-OAQYLSRUSA-N 0 3 377.448 3.792 20 5 GHBDHN COc1cc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000417335950 840739101 /nfs/dbraw/zinc/73/91/01/840739101.db2.gz HDPODCUAGNYMSM-LJQANCHMSA-N 0 3 386.448 3.532 20 5 GHBDHN Cn1nc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc21 ZINC000187382057 840744959 /nfs/dbraw/zinc/74/49/59/840744959.db2.gz XXHIFYHDLMYCDC-UHFFFAOYSA-N 0 3 393.472 3.937 20 5 GHBDHN Cc1c([C@@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cccc1[N+](=O)[O-] ZINC000177930443 840769099 /nfs/dbraw/zinc/76/90/99/840769099.db2.gz SMJSZDZERLOKCG-QGZVFWFLSA-N 0 3 377.444 3.964 20 5 GHBDHN Cc1cc(NC2CCN(c3cc(C)nc(C)n3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302098222 861205461 /nfs/dbraw/zinc/20/54/61/861205461.db2.gz TXRAIGBPNOULOM-UHFFFAOYSA-N 0 3 392.463 3.939 20 5 GHBDHN Cc1cc(N2CCN([C@@H](C)c3cccnc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302191900 861238249 /nfs/dbraw/zinc/23/82/49/861238249.db2.gz RINGLAAENQIUBG-INIZCTEOSA-N 0 3 377.448 3.730 20 5 GHBDHN COc1ccc([C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])N(C)C)cc1OC ZINC000112072680 842180941 /nfs/dbraw/zinc/18/09/41/842180941.db2.gz WANXRBILOVLCLH-SFHVURJKSA-N 0 3 396.447 3.875 20 5 GHBDHN CSc1cccc(N(C(=O)Cc2ccccc2[N+](=O)[O-])C2CCN(C)CC2)c1 ZINC000112247771 842265564 /nfs/dbraw/zinc/26/55/64/842265564.db2.gz OCCWEULVQCWKAR-UHFFFAOYSA-N 0 3 399.516 3.987 20 5 GHBDHN C[C@@H]1CN(Cc2cccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000249050640 842708741 /nfs/dbraw/zinc/70/87/41/842708741.db2.gz XIAGCBYGCMCDTQ-HXOBKFHXSA-N 0 3 395.503 3.983 20 5 GHBDHN CC(C)CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000279719609 843266995 /nfs/dbraw/zinc/26/69/95/843266995.db2.gz ZFWZONNZBKWZQW-UHFFFAOYSA-N 0 3 385.867 3.509 20 5 GHBDHN COc1ccc([C@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000599600270 861397297 /nfs/dbraw/zinc/39/72/97/861397297.db2.gz JRJZNRNSCJJAGF-AWEZNQCLSA-N 0 3 387.436 3.600 20 5 GHBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000471896591 843315735 /nfs/dbraw/zinc/31/57/35/843315735.db2.gz FFUHYKHEHGWWRI-UHFFFAOYSA-N 0 3 391.418 3.639 20 5 GHBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000610667313 843453998 /nfs/dbraw/zinc/45/39/98/843453998.db2.gz NHGCNZDIQKPKKJ-NRFANRHFSA-N 0 3 381.476 3.871 20 5 GHBDHN CC(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000024745466 843627523 /nfs/dbraw/zinc/62/75/23/843627523.db2.gz YXFUOVNMHPZSOU-HXUWFJFHSA-N 0 3 382.464 3.799 20 5 GHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001126285281 843637713 /nfs/dbraw/zinc/63/77/13/843637713.db2.gz AXVGUWHTGVODSP-NRFANRHFSA-N 0 3 393.487 3.797 20 5 GHBDHN COc1ccc(OCCN2CCC3(CC2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000610738775 843806667 /nfs/dbraw/zinc/80/66/67/843806667.db2.gz AMDVGBDHJFOLHK-UHFFFAOYSA-N 0 3 384.432 3.504 20 5 GHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C)C2(CCCCC2)C1 ZINC000582010754 845164331 /nfs/dbraw/zinc/16/43/31/845164331.db2.gz BMTYLYQPKFIIOZ-CQSZACIVSA-N 0 3 394.903 3.526 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000843806807 861558422 /nfs/dbraw/zinc/55/84/22/861558422.db2.gz YIUHALUSMFLXRW-FZKQIMNGSA-N 0 3 391.468 3.917 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502560561 846204890 /nfs/dbraw/zinc/20/48/90/846204890.db2.gz RAQCPJGLVYKKEZ-IBGZPJMESA-N 0 3 376.840 3.748 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000451211440 846478306 /nfs/dbraw/zinc/47/83/06/846478306.db2.gz MIBJHIMEQULAGO-OAHLLOKOSA-N 0 3 386.452 3.675 20 5 GHBDHN COc1ccc2c(c1)C[C@@H](C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000501050827 846578438 /nfs/dbraw/zinc/57/84/38/846578438.db2.gz HTLRLHBSXKACHA-CABCVRRESA-N 0 3 383.448 3.940 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000557631409 846800375 /nfs/dbraw/zinc/80/03/75/846800375.db2.gz OVFJBFXOSHQEOL-UHFFFAOYSA-N 0 3 379.476 3.736 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000478951615 847371775 /nfs/dbraw/zinc/37/17/75/847371775.db2.gz JOGZOWUKKAZBGS-NRFANRHFSA-N 0 3 396.491 3.848 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc2ccccc21 ZINC000511139826 847404611 /nfs/dbraw/zinc/40/46/11/847404611.db2.gz RNCACYWXIZPPQG-IBGZPJMESA-N 0 3 380.444 3.662 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420993014 847615388 /nfs/dbraw/zinc/61/53/88/847615388.db2.gz LOZRHGBKTMSZAR-MRXNPFEDSA-N 0 3 393.390 3.918 20 5 GHBDHN COc1cc(CNCCN2CCCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237168238 847753387 /nfs/dbraw/zinc/75/33/87/847753387.db2.gz DSNFPGDWOLYVHP-UHFFFAOYSA-N 0 3 399.491 3.758 20 5 GHBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000604127796 861860494 /nfs/dbraw/zinc/86/04/94/861860494.db2.gz UFDULFKUPOGOEM-HNNXBMFYSA-N 0 3 388.443 3.568 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000582922131 848699935 /nfs/dbraw/zinc/69/99/35/848699935.db2.gz WWUOPSVSTJXBGO-HNNXBMFYSA-N 0 3 398.463 3.722 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](O)C3)o2)c(Br)c1 ZINC000158771536 849726605 /nfs/dbraw/zinc/72/66/05/849726605.db2.gz MEUSQZDZBMBKTN-LBPRGKRZSA-N 0 3 381.226 3.574 20 5 GHBDHN CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000061503202 862059356 /nfs/dbraw/zinc/05/93/56/862059356.db2.gz GNABJIBJLCYDHL-HXUWFJFHSA-N 0 3 397.475 3.869 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000505589921 849998209 /nfs/dbraw/zinc/99/82/09/849998209.db2.gz CLCIKNQHYUFVMO-CDXJDZJCSA-N 0 3 383.492 3.971 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(OCCO)cc3)s2)cc1 ZINC000518774524 850078342 /nfs/dbraw/zinc/07/83/42/850078342.db2.gz NRDZHDPCELDIGP-UHFFFAOYSA-N 0 3 384.457 3.984 20 5 GHBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1OC ZINC000514693103 850180503 /nfs/dbraw/zinc/18/05/03/850180503.db2.gz REVTYYURIJRZLJ-GOSISDBHSA-N 0 3 396.447 3.875 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000439650061 850226686 /nfs/dbraw/zinc/22/66/86/850226686.db2.gz QGYYIZGCBSPAHY-BMGDILEWSA-N 0 3 375.469 3.558 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514820599 850325609 /nfs/dbraw/zinc/32/56/09/850325609.db2.gz SFSPICBTTQIYOD-MJGOQNOKSA-N 0 3 393.846 3.931 20 5 GHBDHN CS[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000487126905 850490956 /nfs/dbraw/zinc/49/09/56/850490956.db2.gz ZJFMXAKRMCLKHP-MSOLQXFVSA-N 0 3 391.537 3.544 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000126638979 850790203 /nfs/dbraw/zinc/79/02/03/850790203.db2.gz HAXCFVHOSWMKGT-LBPRGKRZSA-N 0 3 377.828 3.764 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434423255 851111849 /nfs/dbraw/zinc/11/18/49/851111849.db2.gz DFWOJAAVIJOEOK-INIZCTEOSA-N 0 3 377.510 3.842 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000515503109 851122485 /nfs/dbraw/zinc/12/24/85/851122485.db2.gz VIOXSDUQJDGHPI-SFHVURJKSA-N 0 3 376.840 3.653 20 5 GHBDHN CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000436274848 851419819 /nfs/dbraw/zinc/41/98/19/851419819.db2.gz YBVHKXGOMKCTEG-RTBURBONSA-N 0 3 377.485 3.521 20 5 GHBDHN Cc1c(C(=O)N2CCCN(CCCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000507096585 852541682 /nfs/dbraw/zinc/54/16/82/852541682.db2.gz HPQUYBQPXGHZQH-UHFFFAOYSA-N 0 3 381.476 3.684 20 5 GHBDHN O=C(C1CC1)N1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490137760 852787776 /nfs/dbraw/zinc/78/77/76/852787776.db2.gz SCSABHHENIXNRO-NRFANRHFSA-N 0 3 379.460 3.675 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000491051813 853427107 /nfs/dbraw/zinc/42/71/07/853427107.db2.gz PGESFOXCJOEXQR-HOCLYGCPSA-N 0 3 388.468 3.852 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000586789075 853549333 /nfs/dbraw/zinc/54/93/33/853549333.db2.gz GQEZXBGQKKZDIG-DUXKGJEZSA-N 0 3 397.475 3.783 20 5 GHBDHN C[S@](=O)C1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000441365433 854146884 /nfs/dbraw/zinc/14/68/84/854146884.db2.gz PVIUASMBCCEJDM-SANMLTNESA-N 0 3 378.425 3.527 20 5 GHBDHN Cc1cc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000553667620 855201761 /nfs/dbraw/zinc/20/17/61/855201761.db2.gz ZMBIVKJAYGLYAC-FQEVSTJZSA-N 0 3 385.464 3.723 20 5 GHBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000573243497 856020710 /nfs/dbraw/zinc/02/07/10/856020710.db2.gz PHOKXOBGMWBPQS-ZFWWWQNUSA-N 0 3 397.401 3.842 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 ZINC000760851874 856184507 /nfs/dbraw/zinc/18/45/07/856184507.db2.gz DCMFDEGGLLMDGD-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN CCCCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000554852457 856245818 /nfs/dbraw/zinc/24/58/18/856245818.db2.gz ZYDUYJPEQIIATL-FSPWUOQZSA-N 0 3 393.484 3.504 20 5 GHBDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845441 856343320 /nfs/dbraw/zinc/34/33/20/856343320.db2.gz SROKZZKTDQDOCH-BLLLJJGKSA-N 0 3 379.254 3.612 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)CC1CCCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132477 856675092 /nfs/dbraw/zinc/67/50/92/856675092.db2.gz GXXSTHBQSVQIFR-UFYCRDLUSA-N 0 3 376.497 3.642 20 5 GHBDHN CSc1cccc(N(C(=O)Cc2cccc([N+](=O)[O-])c2)C2CCN(C)CC2)c1 ZINC000173024956 856696878 /nfs/dbraw/zinc/69/68/78/856696878.db2.gz FAFGOKHXOWKJBT-UHFFFAOYSA-N 0 3 399.516 3.987 20 5 GHBDHN CCCN(CCN(C)C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485533776 856707538 /nfs/dbraw/zinc/70/75/38/856707538.db2.gz QWYTZBUJGZAASA-UHFFFAOYSA-N 0 3 385.464 3.588 20 5 GHBDHN C[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C)Cc1ccccc1 ZINC000485589926 856793320 /nfs/dbraw/zinc/79/33/20/856793320.db2.gz HKMYCYXLIJWICS-KRWDZBQOSA-N 0 3 396.491 3.789 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2cccc(-n3cccn3)c2)cccc1[N+](=O)[O-] ZINC000173210075 856810039 /nfs/dbraw/zinc/81/00/39/856810039.db2.gz XCTSBCVFQQWKTP-HZPDHXFCSA-N 0 3 393.447 3.767 20 5 GHBDHN CN(CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000487408372 856940660 /nfs/dbraw/zinc/94/06/60/856940660.db2.gz CDECYOUOEJPQHP-UHFFFAOYSA-N 0 3 392.459 3.697 20 5 GHBDHN COc1cccc(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592695009 857027908 /nfs/dbraw/zinc/02/79/08/857027908.db2.gz RVHSBXOQXXDUEX-SFHVURJKSA-N 0 3 397.475 3.729 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000843777857 857115056 /nfs/dbraw/zinc/11/50/56/857115056.db2.gz CQUZSCWCAQJJSE-AWEZNQCLSA-N 0 3 391.468 3.746 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000593112661 857329511 /nfs/dbraw/zinc/32/95/11/857329511.db2.gz SGJLUASUWDWFRH-MRXNPFEDSA-N 0 3 396.365 3.632 20 5 GHBDHN COc1cc(CNCCCOc2cccc3cccnc32)c([N+](=O)[O-])cc1OC ZINC000113342990 857439091 /nfs/dbraw/zinc/43/90/91/857439091.db2.gz WDJPHNRXVSGCPF-UHFFFAOYSA-N 0 3 397.431 3.719 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000594503221 858195174 /nfs/dbraw/zinc/19/51/74/858195174.db2.gz HWUJXDMZCNFVES-CXAGYDPISA-N 0 3 396.365 3.630 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000439103196 858333336 /nfs/dbraw/zinc/33/33/36/858333336.db2.gz TZEGLYQKQBTQSF-AWEZNQCLSA-N 0 3 375.856 3.807 20 5 GHBDHN CO[C@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594954451 858344006 /nfs/dbraw/zinc/34/40/06/858344006.db2.gz LOOMTDRKJGJHJE-MGPUTAFESA-N 0 3 390.411 3.667 20 5 GHBDHN COc1cc(CNC[C@]2(C)CC2(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594984406 858357660 /nfs/dbraw/zinc/35/76/60/858357660.db2.gz HPAJIOJLJSKVLE-ZDUSSCGKSA-N 0 3 384.301 3.679 20 5 GHBDHN COC[C@@H](CC1CCOCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595039213 858376902 /nfs/dbraw/zinc/37/69/02/858376902.db2.gz DKBXZVYIRFZUQY-OAHLLOKOSA-N 0 3 376.375 3.535 20 5 GHBDHN Cc1cc(N2CCC(N[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000439136446 858504570 /nfs/dbraw/zinc/50/45/70/858504570.db2.gz FRQGNZHWJIWMNY-JOCHJYFZSA-N 0 3 391.475 3.974 20 5 GHBDHN CN(CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000543151688 858649577 /nfs/dbraw/zinc/64/95/77/858649577.db2.gz TZAQPQMRUARHBM-UHFFFAOYSA-N 0 3 393.896 3.589 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000067724716 858679109 /nfs/dbraw/zinc/67/91/09/858679109.db2.gz YJEBFQVKDRXXBC-KRWDZBQOSA-N 0 3 376.482 3.539 20 5 GHBDHN CC(C)(NC[C@@H](O)COCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000429259589 858848383 /nfs/dbraw/zinc/84/83/83/858848383.db2.gz KMODPALPCHJOTP-OAHLLOKOSA-N 0 3 378.856 3.651 20 5 GHBDHN CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000543637619 859150902 /nfs/dbraw/zinc/15/09/02/859150902.db2.gz GSCVAGMDMHLZDX-MRXNPFEDSA-N 0 3 386.427 3.692 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@@H](Oc3ncccc3C)C2)c([N+](=O)[O-])c1 ZINC001170354865 881393111 /nfs/dbraw/zinc/39/31/11/881393111.db2.gz QUCFMQASBLUVBM-VQIMIIECSA-N 0 3 385.464 3.781 20 5 GHBDHN Cc1ccc(Sc2ccc(CNCCC[S@@](C)=O)cc2[N+](=O)[O-])cc1 ZINC000116919625 859221473 /nfs/dbraw/zinc/22/14/73/859221473.db2.gz FOUTWCAKHFRNEM-VWLOTQADSA-N 0 3 378.519 3.913 20 5 GHBDHN Cc1cc(CNCc2ccc([N+](=O)[O-])cc2)ccc1I ZINC000466363604 859228681 /nfs/dbraw/zinc/22/86/81/859228681.db2.gz DWEGFZQHNSQTDM-UHFFFAOYSA-N 0 3 382.201 3.798 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000117769988 859614966 /nfs/dbraw/zinc/61/49/66/859614966.db2.gz NQOPYQFIGSJJPV-SFHVURJKSA-N 0 3 375.856 3.518 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552058287 859677246 /nfs/dbraw/zinc/67/72/46/859677246.db2.gz ALKQOOYAMWNMTQ-YYKUARIBSA-N 0 3 397.475 3.863 20 5 GHBDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000611555161 859803988 /nfs/dbraw/zinc/80/39/88/859803988.db2.gz PNGWMSAPWUVZNO-RYUDHWBXSA-N 0 3 387.358 3.556 20 5 GHBDHN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1 ZINC000019625530 860291847 /nfs/dbraw/zinc/29/18/47/860291847.db2.gz WDCSKYORDWEMRP-DYVFJYSZSA-N 0 3 387.436 3.680 20 5 GHBDHN CN1CCN(Cc2ccc(CNc3ccc4ncccc4c3[N+](=O)[O-])cc2)CC1 ZINC000484843308 860391023 /nfs/dbraw/zinc/39/10/23/860391023.db2.gz BXLBRNQLDWAIDM-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC000155089551 860395716 /nfs/dbraw/zinc/39/57/16/860395716.db2.gz XKAZOOHLGMZEMV-UHFFFAOYSA-N 0 3 392.253 3.566 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000552257855 860412558 /nfs/dbraw/zinc/41/25/58/860412558.db2.gz ZRAWVTSRULBHJQ-HFSMHLIXSA-N 0 3 397.475 3.783 20 5 GHBDHN CN1Cc2ccccc2[C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000598943398 860683137 /nfs/dbraw/zinc/68/31/37/860683137.db2.gz UALUBMIGAKIFRE-JJXUHFIVSA-N 0 3 379.460 3.609 20 5 GHBDHN Cn1c(=O)ccc2c1CCC[C@H]2NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593694175 860906875 /nfs/dbraw/zinc/90/68/75/860906875.db2.gz JIOZFIJUEFEOHC-GOSISDBHSA-N 0 3 379.416 3.721 20 5 GHBDHN COc1cc(CNCCc2cccc(C)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475288640 864717548 /nfs/dbraw/zinc/71/75/48/864717548.db2.gz ZWVDBGWIUMHKOD-UHFFFAOYSA-N 0 3 399.369 3.580 20 5 GHBDHN Cc1sc(C(=O)N(CCCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC000063485820 864846032 /nfs/dbraw/zinc/84/60/32/864846032.db2.gz HNTNVQVGDMDEQF-UHFFFAOYSA-N 0 3 375.494 3.601 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000063733280 865249994 /nfs/dbraw/zinc/24/99/94/865249994.db2.gz MNRKKHZPBCWLNX-HNNXBMFYSA-N 0 3 379.526 3.947 20 5 GHBDHN COc1cc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c([N+](=O)[O-])cc1[O-] ZINC000608782135 865691146 /nfs/dbraw/zinc/69/11/46/865691146.db2.gz AQPUDVCBYDYIJQ-UHFFFAOYSA-N 0 3 375.812 3.776 20 5 GHBDHN C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555229992 865748319 /nfs/dbraw/zinc/74/83/19/865748319.db2.gz SFHQETSTLSJWMH-ACJLOTCBSA-N 0 3 375.856 3.771 20 5 GHBDHN CCOc1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000609017912 865893540 /nfs/dbraw/zinc/89/35/40/865893540.db2.gz KETSMDRIKCNGLV-IBGZPJMESA-N 0 3 397.475 3.951 20 5 GHBDHN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000192589033 881926009 /nfs/dbraw/zinc/92/60/09/881926009.db2.gz GERVFWVCYWBSSI-XOBRGWDASA-N 0 3 383.448 3.980 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534966142 867841445 /nfs/dbraw/zinc/84/14/45/867841445.db2.gz FKMPUFKMYZMXCG-ZBFHGGJFSA-N 0 3 378.432 3.641 20 5 GHBDHN CC1CCC(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000523735304 867869557 /nfs/dbraw/zinc/86/95/57/867869557.db2.gz FTVNJMVOMDYCFL-UHFFFAOYSA-N 0 3 380.876 3.976 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000524201455 868696535 /nfs/dbraw/zinc/69/65/35/868696535.db2.gz NCMRWTGDFNGGHA-HOCLYGCPSA-N 0 3 378.432 3.641 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440909632 869219226 /nfs/dbraw/zinc/21/92/26/869219226.db2.gz AXCOWNHYCRJWNZ-PBHICJAKSA-N 0 3 380.448 3.693 20 5 GHBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000445971463 869247021 /nfs/dbraw/zinc/24/70/21/869247021.db2.gz MTMOTXFNGFEGSW-CQSZACIVSA-N 0 3 395.293 3.764 20 5 GHBDHN COc1cc(CNCCc2ccccc2OC(F)F)c([N+](=O)[O-])cc1OC ZINC000190884372 882295336 /nfs/dbraw/zinc/29/53/36/882295336.db2.gz UFAHOFFATWXAPG-UHFFFAOYSA-N 0 3 382.363 3.546 20 5 GHBDHN CC[C@@]1(O)CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000428436274 869656527 /nfs/dbraw/zinc/65/65/27/869656527.db2.gz FOGGHSAMWMISOI-OAQYLSRUSA-N 0 3 386.448 3.529 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000462616303 869763612 /nfs/dbraw/zinc/76/36/12/869763612.db2.gz PAKHQSVAKWPZSD-QGZVFWFLSA-N 0 3 389.521 3.815 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000525182422 870123963 /nfs/dbraw/zinc/12/39/63/870123963.db2.gz VTPHSJBPGAELHK-ZDUSSCGKSA-N 0 3 396.846 3.727 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181208845 870282734 /nfs/dbraw/zinc/28/27/34/870282734.db2.gz VQJSGYQYMQANGF-OXQOHEQNSA-N 0 3 383.448 3.599 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(Cc4ccccc4Cl)CC3)nc2c1 ZINC000446851277 870537106 /nfs/dbraw/zinc/53/71/06/870537106.db2.gz BUYCDHXKIMNXTM-UHFFFAOYSA-N 0 3 399.882 3.879 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)N(C)C)cc1 ZINC000447235907 871224416 /nfs/dbraw/zinc/22/44/16/871224416.db2.gz DEHTXXJLEPNRHF-OAQYLSRUSA-N 0 3 396.491 3.528 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F)CCC2 ZINC000447526371 871757957 /nfs/dbraw/zinc/75/79/57/871757957.db2.gz CZQKAEOBLVPODA-CEXWTWQISA-N 0 3 376.403 3.799 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767711988 872777241 /nfs/dbraw/zinc/77/72/41/872777241.db2.gz MVZVGZZDZOYJJI-NSHDSACASA-N 0 3 388.773 3.606 20 5 GHBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000478414935 872970474 /nfs/dbraw/zinc/97/04/74/872970474.db2.gz GCAUFBPOZRKXOV-ZDUSSCGKSA-N 0 3 386.374 3.520 20 5 GHBDHN CC1(C)[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000464074177 873173353 /nfs/dbraw/zinc/17/33/53/873173353.db2.gz LTIOTUGKIYESPN-OALUTQOASA-N 0 3 388.489 3.540 20 5 GHBDHN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001197077482 873583565 /nfs/dbraw/zinc/58/35/65/873583565.db2.gz LPIBDCKGSPYQMR-FQEVSTJZSA-N 0 3 389.402 3.569 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858046715 882781050 /nfs/dbraw/zinc/78/10/50/882781050.db2.gz PUKIYZXFPWWRBT-FQEVSTJZSA-N 0 3 383.448 3.789 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC(CCN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000769426116 874045465 /nfs/dbraw/zinc/04/54/65/874045465.db2.gz MOVGGLCYZWLUHA-UHFFFAOYSA-N 0 3 389.496 3.990 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000769512715 874119550 /nfs/dbraw/zinc/11/95/50/874119550.db2.gz RBEWALYBUXQAKM-GDBMZVCRSA-N 0 3 393.484 3.871 20 5 GHBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000769997440 874391946 /nfs/dbraw/zinc/39/19/46/874391946.db2.gz KDXRJTGMZVXBMU-INIZCTEOSA-N 0 3 388.855 3.986 20 5 GHBDHN CC(C)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1 ZINC000770037463 874417249 /nfs/dbraw/zinc/41/72/49/874417249.db2.gz AJINHVBQUWETMD-INIZCTEOSA-N 0 3 378.856 3.899 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494694915 882835848 /nfs/dbraw/zinc/83/58/48/882835848.db2.gz BRLOZOXKFJRLAJ-GDBMZVCRSA-N 0 3 392.402 3.968 20 5 GHBDHN C[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccco2)C1 ZINC000464857462 874654852 /nfs/dbraw/zinc/65/48/52/874654852.db2.gz NTNQLYMRCRDPCN-GOEBONIOSA-N 0 3 385.420 3.959 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000449341629 874730514 /nfs/dbraw/zinc/73/05/14/874730514.db2.gz VDPFXDIBEKCOTO-ZBEGNZNMSA-N 0 3 397.244 3.751 20 5 GHBDHN COc1cc(CN[C@@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000449447979 874871233 /nfs/dbraw/zinc/87/12/33/874871233.db2.gz DBBBEGRHILCRQH-HNNXBMFYSA-N 0 3 388.464 3.822 20 5 GHBDHN CC[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NC ZINC000449780763 875385093 /nfs/dbraw/zinc/38/50/93/875385093.db2.gz VONIMYRIMCWXGC-OAHLLOKOSA-N 0 3 377.828 3.655 20 5 GHBDHN CCc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000746512705 875441515 /nfs/dbraw/zinc/44/15/15/875441515.db2.gz WFQUBLIUIRVTHG-ICSRJNTNSA-N 0 3 379.460 3.914 20 5 GHBDHN CCOc1cc(CN(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000776277981 876120640 /nfs/dbraw/zinc/12/06/40/876120640.db2.gz RWXRKPPCPGOHFM-MRXNPFEDSA-N 0 3 396.390 3.760 20 5 GHBDHN COC1CCN(C2(CNc3ccc(C(C)=O)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000609350795 883038797 /nfs/dbraw/zinc/03/87/97/883038797.db2.gz SDXLEFPDGPROCF-UHFFFAOYSA-N 0 3 375.469 3.633 20 5 GHBDHN CCOc1cc(CN2CC[C@@H](CN(CC)CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000492488971 876959216 /nfs/dbraw/zinc/95/92/16/876959216.db2.gz WBTJMJVKZBZEKE-HNNXBMFYSA-N 0 3 389.418 3.700 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610041855 877323101 /nfs/dbraw/zinc/32/31/01/877323101.db2.gz GKRBDJLCAFKGJR-APWZRJJASA-N 0 3 381.476 3.824 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451334253 877821094 /nfs/dbraw/zinc/82/10/94/877821094.db2.gz SJNZDXTYFIKMED-GOSISDBHSA-N 0 3 391.855 3.551 20 5 GHBDHN COc1c(C)cnc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)c1C ZINC000451371340 877891771 /nfs/dbraw/zinc/89/17/71/877891771.db2.gz DCUTUQJTDUSCSA-UHFFFAOYSA-N 0 3 396.447 3.945 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@](O)(C(F)(F)F)CC3)o2)c1 ZINC000285426439 912286050 /nfs/dbraw/zinc/28/60/50/912286050.db2.gz DXJMKIUCDKCEAU-KRWDZBQOSA-N 0 3 399.369 3.572 20 5 GHBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)c2cccc(OCc3ccccc3)c2)c1 ZINC000152396151 878000884 /nfs/dbraw/zinc/00/08/84/878000884.db2.gz QPWJBLSTWSAXBO-QFIPXVFZSA-N 0 3 378.428 3.997 20 5 GHBDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000852351499 878270917 /nfs/dbraw/zinc/27/09/17/878270917.db2.gz PECIOZUHJMRMJQ-ZBINZKHDSA-N 0 3 377.268 3.557 20 5 GHBDHN CC(C)C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000538141677 878885899 /nfs/dbraw/zinc/88/58/99/878885899.db2.gz QZHDPGXMHLIITG-HNNXBMFYSA-N 0 3 385.420 3.639 20 5 GHBDHN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000761528017 879234068 /nfs/dbraw/zinc/23/40/68/879234068.db2.gz XGJQCYAWIWWCET-MGPUTAFESA-N 0 3 389.883 3.627 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538321988 879255497 /nfs/dbraw/zinc/25/54/97/879255497.db2.gz IFOLSHULKKLMKQ-UHFFFAOYSA-N 0 3 390.443 3.648 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000531348557 879672669 /nfs/dbraw/zinc/67/26/69/879672669.db2.gz PWSXKWQGFARELT-UHFFFAOYSA-N 0 3 381.436 3.751 20 5 GHBDHN C[C@H](CC[S@@](C)=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000532119516 881231073 /nfs/dbraw/zinc/23/10/73/881231073.db2.gz BCFKQGQKQDLPLK-ZBSNKRKSSA-N 0 3 380.441 3.773 20 5 GHBDHN CCCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC001170292332 881308853 /nfs/dbraw/zinc/30/88/53/881308853.db2.gz ZOUBTYFDQQLJDJ-SJLPKXTDSA-N 0 3 377.485 3.901 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCOC[C@@H]2CCOC2)ccc1Oc1ccc(F)cc1 ZINC000609467275 883228746 /nfs/dbraw/zinc/22/87/46/883228746.db2.gz NSKRPRVQPZMSDC-MRXNPFEDSA-N 0 3 390.411 3.669 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000609707555 883563314 /nfs/dbraw/zinc/56/33/14/883563314.db2.gz CUKQODIGMQTSNR-BJHRGBFUSA-N 0 3 380.366 3.732 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000805275212 883731492 /nfs/dbraw/zinc/73/14/92/883731492.db2.gz BPVRDKKBNKKUCS-NPZXAABXSA-N 0 3 397.475 3.814 20 5 GHBDHN CN(CCCN(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S)Cc1ccco1 ZINC000795749949 912756022 /nfs/dbraw/zinc/75/60/22/912756022.db2.gz AONIZUKTTROHAJ-UHFFFAOYSA-N 0 3 390.465 3.876 20 5 GHBDHN COc1cc(CNCCc2cccnc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000898257413 884703962 /nfs/dbraw/zinc/70/39/62/884703962.db2.gz UWKSFHQEYYFSRI-UHFFFAOYSA-N 0 3 399.369 3.580 20 5 GHBDHN CCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000032217387 885045732 /nfs/dbraw/zinc/04/57/32/885045732.db2.gz GJDNIMORIGCODU-IBGZPJMESA-N 0 3 383.448 3.560 20 5 GHBDHN COCC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000495386323 885622707 /nfs/dbraw/zinc/62/27/07/885622707.db2.gz UVUCRBIVOVYYTR-GUYCJALGSA-N 0 3 375.425 3.581 20 5 GHBDHN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C2CC2)cc1 ZINC000193345031 885658775 /nfs/dbraw/zinc/65/87/75/885658775.db2.gz LECRBOMWWHRREY-RBZFPXEDSA-N 0 3 399.447 3.680 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454128729 886146189 /nfs/dbraw/zinc/14/61/89/886146189.db2.gz CSJJHRWLQIRCEG-MRXNPFEDSA-N 0 3 398.463 3.589 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454141100 886185226 /nfs/dbraw/zinc/18/52/26/886185226.db2.gz GOJIWZJARSUZLB-MRXNPFEDSA-N 0 3 382.464 3.889 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N(C)C)cc1 ZINC000487975892 886722444 /nfs/dbraw/zinc/72/24/44/886722444.db2.gz GAQCIYLBSSTULN-NRFANRHFSA-N 0 3 396.491 3.880 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000542572351 886849294 /nfs/dbraw/zinc/84/92/94/886849294.db2.gz CEXJHZKTNLYWDR-VLIAUNLRSA-N 0 3 387.455 3.819 20 5 GHBDHN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487986349 887162114 /nfs/dbraw/zinc/16/21/14/887162114.db2.gz HOMAFSPIUXFVNK-OCCSQVGLSA-N 0 3 388.411 3.842 20 5 GHBDHN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487986350 887166605 /nfs/dbraw/zinc/16/66/05/887166605.db2.gz HOMAFSPIUXFVNK-TZMCWYRMSA-N 0 3 388.411 3.842 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000794668599 887715960 /nfs/dbraw/zinc/71/59/60/887715960.db2.gz LYYZKYNBYKZBEN-VSKRKVRLSA-N 0 3 378.428 3.693 20 5 GHBDHN Cn1cnc([N+](=O)[O-])c1N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000470458001 887844820 /nfs/dbraw/zinc/84/48/20/887844820.db2.gz AMEDDLHDPJELBC-UHFFFAOYSA-N 0 3 398.294 3.738 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000809935571 887987616 /nfs/dbraw/zinc/98/76/16/887987616.db2.gz OHWOTLKYEGESBO-OAHLLOKOSA-N 0 3 388.295 3.588 20 5 GHBDHN C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000194457918 888338195 /nfs/dbraw/zinc/33/81/95/888338195.db2.gz IDWQSIFUEGSRIO-UZLBHIALSA-N 0 3 382.464 3.792 20 5 GHBDHN CCC[C@H](NCc1ccc(CN2CCNC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000866575229 888946136 /nfs/dbraw/zinc/94/61/36/888946136.db2.gz LISPSDCRKFBRHQ-FQEVSTJZSA-N 0 3 382.464 3.751 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000916671053 889302532 /nfs/dbraw/zinc/30/25/32/889302532.db2.gz DQVCWRHHBSNYJZ-MRXNPFEDSA-N 0 3 397.479 3.619 20 5 GHBDHN CCN1CCCN([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000533264079 890162238 /nfs/dbraw/zinc/16/22/38/890162238.db2.gz XUUDJAXERUKHKZ-NRFANRHFSA-N 0 3 396.491 3.611 20 5 GHBDHN Cc1c(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000795098141 890176088 /nfs/dbraw/zinc/17/60/88/890176088.db2.gz CHIVJVKZEAYVJW-WMZOPIPTSA-N 0 3 375.469 3.735 20 5 GHBDHN C[C@H]1CCCN(CCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000917069032 890989163 /nfs/dbraw/zinc/98/91/63/890989163.db2.gz JFDDQGQRBWIAMN-JTQLQIEISA-N 0 3 376.335 3.666 20 5 GHBDHN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813104978 891274697 /nfs/dbraw/zinc/27/46/97/891274697.db2.gz INIUHJFEABFAGI-VIFPVBQESA-N 0 3 386.235 3.547 20 5 GHBDHN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813111071 891304126 /nfs/dbraw/zinc/30/41/26/891304126.db2.gz BYAMJADPRLBMGF-SECBINFHSA-N 0 3 379.825 3.871 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1cccc(OC)c1 ZINC000497747032 892322776 /nfs/dbraw/zinc/32/27/76/892322776.db2.gz ZOWWGONGCGOFHQ-HXUWFJFHSA-N 0 3 385.464 3.725 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1cccc(OC)c1 ZINC000497747031 892323164 /nfs/dbraw/zinc/32/31/64/892323164.db2.gz ZOWWGONGCGOFHQ-FQEVSTJZSA-N 0 3 385.464 3.725 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N(C)C)cc1 ZINC000497797040 892425873 /nfs/dbraw/zinc/42/58/73/892425873.db2.gz PGPRYOWKMAADAG-OAQYLSRUSA-N 0 3 394.475 3.531 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)NC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001134556123 893077209 /nfs/dbraw/zinc/07/72/09/893077209.db2.gz NIPGTAUZVYSPRE-MRXNPFEDSA-N 0 3 379.526 3.947 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CCC(O)(c2cccnc2)CC1 ZINC000877399534 893590417 /nfs/dbraw/zinc/59/04/17/893590417.db2.gz NEDMTIUCMRFEPC-UHFFFAOYSA-N 0 3 395.381 3.929 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459662736 894015543 /nfs/dbraw/zinc/01/55/43/894015543.db2.gz NRYIJDGJXYAYAR-INIZCTEOSA-N 0 3 388.386 3.655 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000537132280 894381561 /nfs/dbraw/zinc/38/15/61/894381561.db2.gz WXOWEAQTLVJRQN-INIZCTEOSA-N 0 3 392.402 3.672 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCC[C@@H]2[C@@H]2CCCOC2)o1 ZINC000878756699 894582684 /nfs/dbraw/zinc/58/26/84/894582684.db2.gz YKJAPCVXLCFRTJ-IUODEOHRSA-N 0 3 392.843 3.689 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCC[C@H]2[C@@H]2CCCOC2)o1 ZINC000878756698 894583473 /nfs/dbraw/zinc/58/34/73/894583473.db2.gz YKJAPCVXLCFRTJ-DOMZBBRYSA-N 0 3 392.843 3.689 20 5 GHBDHN O=[N+]([O-])c1cc(Br)ccc1CNC1CCN(c2nccs2)CC1 ZINC000883287841 897449436 /nfs/dbraw/zinc/44/94/36/897449436.db2.gz IFDFDEKBCVGBEO-UHFFFAOYSA-N 0 3 397.298 3.572 20 5 GHBDHN COc1ccc(OCCN[C@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000157529967 900589246 /nfs/dbraw/zinc/58/92/46/900589246.db2.gz QCNZHLQFYTYISY-CYBMUJFWSA-N 0 3 376.457 3.593 20 5 GHBDHN COC[C@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000573879114 900679968 /nfs/dbraw/zinc/67/99/68/900679968.db2.gz RIXZBQSWQFQUSO-INIZCTEOSA-N 0 3 380.828 3.613 20 5 GHBDHN CC([C@H](OC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845872150 902473458 /nfs/dbraw/zinc/47/34/58/902473458.db2.gz CTDPDSGOBOLLKM-XIKOKIGWSA-N 0 3 375.352 3.550 20 5 GHBDHN Cc1nn(C)c2sc(C(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])cc12 ZINC000845873900 902478143 /nfs/dbraw/zinc/47/81/43/902478143.db2.gz XQAKJUWRWSIEAM-MEBBXXQBSA-N 0 3 377.397 3.646 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)CC1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874405 902478202 /nfs/dbraw/zinc/47/82/02/902478202.db2.gz IEIZQYWMNGIASS-KSMMKXTCSA-N 0 3 394.443 3.550 20 5 GHBDHN CC([C@@H](OC(=O)COC[C@@H](C)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845875845 902481080 /nfs/dbraw/zinc/48/10/80/902481080.db2.gz CXBMKMTVAXOZQN-STXHMFSFSA-N 0 3 375.396 3.896 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)Cn1ncc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845883487 902486693 /nfs/dbraw/zinc/48/66/93/902486693.db2.gz TXSCYBZLCXGETF-TYILLQQXSA-N 0 3 385.395 3.761 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(O[C@H]2CCOC2)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882949 902487975 /nfs/dbraw/zinc/48/79/75/902487975.db2.gz QNQPVGQKASJHPN-AZOIQLNYSA-N 0 3 389.379 3.557 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](n3cncn3)C(F)(F)F)s2)cc1 ZINC000601145086 903388422 /nfs/dbraw/zinc/38/84/22/903388422.db2.gz ZKXYQLZVJLCANV-OAHLLOKOSA-N 0 3 397.382 3.808 20 5 GHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847009442 903393540 /nfs/dbraw/zinc/39/35/40/903393540.db2.gz QZPLXOSKRIMOTC-OAHLLOKOSA-N 0 3 375.469 3.989 20 5 GHBDHN CCOc1ccc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000772980009 903730784 /nfs/dbraw/zinc/73/07/84/903730784.db2.gz KBOSQDYZDFCHCX-ZDUSSCGKSA-N 0 3 375.381 3.631 20 5 GHBDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000152792069 904300621 /nfs/dbraw/zinc/30/06/21/904300621.db2.gz JYFMUXGZYICHQT-RTWAWAEBSA-N 0 3 393.483 3.698 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCc1nnc2n1CCCCC2 ZINC000290870501 914850615 /nfs/dbraw/zinc/85/06/15/914850615.db2.gz LHNUVWYCUBBUQI-UHFFFAOYSA-N 0 3 398.294 3.942 20 5 GHBDHN CC(C)(C)c1csc(CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC001171894001 905128061 /nfs/dbraw/zinc/12/80/61/905128061.db2.gz ZHMTVQLDKXPEHJ-UHFFFAOYSA-N 0 3 377.514 3.500 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCc4sccc4C3)CC2)c(F)c1 ZINC001173013992 906091722 /nfs/dbraw/zinc/09/17/22/906091722.db2.gz NAVJBAAYHJLBOX-UHFFFAOYSA-N 0 3 379.432 3.962 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000177353151 906114185 /nfs/dbraw/zinc/11/41/85/906114185.db2.gz LXQYKJCWRPCYMI-UHFFFAOYSA-N 0 3 382.464 3.817 20 5 GHBDHN CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177603815 906177693 /nfs/dbraw/zinc/17/76/93/906177693.db2.gz SIAHAWMGTUNDIX-AUUYWEPGSA-N 0 3 391.493 3.647 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cc(Br)ccn2)c1F ZINC001173179214 906256965 /nfs/dbraw/zinc/25/69/65/906256965.db2.gz OFDLSHZBZIQEGI-JTQLQIEISA-N 0 3 398.232 3.621 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001173220811 906297704 /nfs/dbraw/zinc/29/77/04/906297704.db2.gz CQVAGGIKBITGJB-JKSUJKDBSA-N 0 3 377.485 3.715 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001173223996 906305123 /nfs/dbraw/zinc/30/51/23/906305123.db2.gz DCSHAOZTIHYRRF-CRAIPNDOSA-N 0 3 377.485 3.905 20 5 GHBDHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001176589992 908169656 /nfs/dbraw/zinc/16/96/56/908169656.db2.gz YYQJSEKLEZPIQF-KRWDZBQOSA-N 0 3 386.345 3.836 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(N2CCCNC2=O)cc1 ZINC000294045286 916548271 /nfs/dbraw/zinc/54/82/71/916548271.db2.gz GIMCCMRBBHETDE-KGLIPLIRSA-N 0 3 383.452 3.509 20 5 GHBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000650581887 917120774 /nfs/dbraw/zinc/12/07/74/917120774.db2.gz USJJODIARPCBRY-SFHVURJKSA-N 0 3 391.515 3.922 20 5 GHBDHN COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000296062111 917810743 /nfs/dbraw/zinc/81/07/43/917810743.db2.gz PHWFWFGHQMRLSA-KGLIPLIRSA-N 0 3 387.436 3.680 20 5 GHBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000015168787 919365383 /nfs/dbraw/zinc/36/53/83/919365383.db2.gz ZMUXUEBTMHHSQS-LJQANCHMSA-N 0 3 386.408 3.761 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000119493874 919633405 /nfs/dbraw/zinc/63/34/05/919633405.db2.gz PWMNBTXECXVIAE-IEBWSBKVSA-N 0 3 381.476 3.788 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000010139247 923867352 /nfs/dbraw/zinc/86/73/52/923867352.db2.gz OHOCFCHEHOFOQS-GOSISDBHSA-N 0 3 387.505 3.912 20 5 GHBDHN COC(=O)N1CCC[C@H](NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000726607332 926759652 /nfs/dbraw/zinc/75/96/52/926759652.db2.gz LCWMMXFRDIWKOV-KRWDZBQOSA-N 0 3 398.463 3.683 20 5 GHBDHN COc1ccc(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c(OC)c1 ZINC000750090625 927429349 /nfs/dbraw/zinc/42/93/49/927429349.db2.gz DOELMDIKBVBHDS-IBGZPJMESA-N 0 3 388.464 3.946 20 5 GHBDHN Cc1c(CN2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000750283704 927533369 /nfs/dbraw/zinc/53/33/69/927533369.db2.gz LUBRVMNODPGDRB-MRXNPFEDSA-N 0 3 377.485 3.982 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCCC[C@@H]3Cc3ccccc3)n2)c1 ZINC000750604613 927744768 /nfs/dbraw/zinc/74/47/68/927744768.db2.gz WFEMYJJZMQWDTL-LJQANCHMSA-N 0 3 377.448 3.908 20 5 GHBDHN COc1ccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000543894076 928545625 /nfs/dbraw/zinc/54/56/25/928545625.db2.gz PWLQYXFFASFWAW-UHFFFAOYSA-N 0 3 398.463 3.562 20 5 GHBDHN CC(C)N1CCN(c2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)CC1 ZINC000546260426 930002143 /nfs/dbraw/zinc/00/21/43/930002143.db2.gz HOIWGXKEERAPOD-UHFFFAOYSA-N 0 3 393.447 3.842 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000547242270 930838277 /nfs/dbraw/zinc/83/82/77/930838277.db2.gz LHMKVNLLIAGWLI-SFHVURJKSA-N 0 3 399.466 3.744 20 5 GHBDHN Cc1ccc([C@H]2C[C@H](C)N(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000782954718 931374350 /nfs/dbraw/zinc/37/43/50/931374350.db2.gz NTXOHGKCDGGMTQ-LPHOPBHVSA-N 0 3 377.448 3.997 20 5 GHBDHN Cc1ccc([C@@H]2C[C@@H](C)N(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000782957606 931375371 /nfs/dbraw/zinc/37/53/71/931375371.db2.gz XQKOQXPETSLVAW-VQIMIIECSA-N 0 3 377.448 3.997 20 5 GHBDHN NC(=O)c1ccc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC000784483673 931910408 /nfs/dbraw/zinc/91/04/08/931910408.db2.gz JZYGVVLVXDJBQI-AWEZNQCLSA-N 0 3 393.365 3.702 20 5 GHBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000796696023 932033022 /nfs/dbraw/zinc/03/30/22/932033022.db2.gz PIBAERINTWQBEJ-QLJPJBMISA-N 0 3 383.217 3.881 20 5 GHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cnccc1NC(=O)OC(C)(C)C ZINC000796776858 932063746 /nfs/dbraw/zinc/06/37/46/932063746.db2.gz PFRMQHRFFQXOAS-CQSZACIVSA-N 0 3 386.452 3.652 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000930136394 933853119 /nfs/dbraw/zinc/85/31/19/933853119.db2.gz GHVVBAABNJQENC-UHFFFAOYSA-N 0 3 375.450 3.639 20 5 GHBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000545550527 1016024157 /nfs/dbraw/zinc/02/41/57/1016024157.db2.gz YIKRGLIQOBJPAR-FUHWJXTLSA-N 0 3 380.828 3.792 20 5 GHBDHN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546907188 1016767045 /nfs/dbraw/zinc/76/70/45/1016767045.db2.gz ZIFHSHXNOCPYRD-GOSISDBHSA-N 0 3 392.459 3.813 20 5 GHBDHN C[C@@]1(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCCN1Cc1ccccc1 ZINC000778071694 1018125993 /nfs/dbraw/zinc/12/59/93/1018125993.db2.gz ZJULHZWWBVUXLF-FQEVSTJZSA-N 0 3 389.402 3.658 20 5 GHBDHN COc1cccc([C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000041595912 1019243585 /nfs/dbraw/zinc/24/35/85/1019243585.db2.gz UXUYETNDHKROHY-ZRFOIIEFSA-N 0 3 395.459 3.570 20 5 GHBDHN COc1ccc(CN2CCCC[C@H]2CN(C)c2nccc(C)c2[N+](=O)[O-])cc1 ZINC001156292998 1032962979 /nfs/dbraw/zinc/96/29/79/1032962979.db2.gz BWPRTVMXLGSALL-SFHVURJKSA-N 0 3 384.480 3.798 20 5 GHBDHN Cc1ccc([C@@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1[N+](=O)[O-] ZINC000834904778 1021655465 /nfs/dbraw/zinc/65/54/65/1021655465.db2.gz PXVIABWLFRJKPX-NVXWUHKLSA-N 0 3 393.484 3.580 20 5 GHBDHN Cc1cc2[n-]c(OC3CC[NH+](CCc4ccccc4)CC3)nc2cc1[N+](=O)[O-] ZINC001228675254 1033038510 /nfs/dbraw/zinc/03/85/10/1033038510.db2.gz OXPCPUOXOLIWSZ-UHFFFAOYSA-N 0 3 380.448 3.865 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000754889363 1022951397 /nfs/dbraw/zinc/95/13/97/1022951397.db2.gz LPSIFIUZEORVSZ-NUTQULCTSA-N 0 3 379.460 3.951 20 5 GHBDHN Cc1cc([C@@H](N)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(Cl)n1 ZINC000831486218 1024597290 /nfs/dbraw/zinc/59/72/90/1024597290.db2.gz OVDIXUUDYVWLQM-KRWDZBQOSA-N 0 3 388.855 3.533 20 5 GHBDHN CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000839601001 1026099384 /nfs/dbraw/zinc/09/93/84/1026099384.db2.gz IUYMADIDZWVZOS-OALUTQOASA-N 0 3 391.855 3.535 20 5 GHBDHN Cc1cc(CN)nn1-c1ncc(C(F)(F)F)cc1-c1cccc([N+](=O)[O-])c1 ZINC001163981087 1026376893 /nfs/dbraw/zinc/37/68/93/1026376893.db2.gz DQFILGRYXWHQLJ-UHFFFAOYSA-N 0 3 377.326 3.628 20 5 GHBDHN O=[N+]([O-])c1cc2cnn(CN3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)c2c(Cl)c1 ZINC000840130999 1027259279 /nfs/dbraw/zinc/25/92/79/1027259279.db2.gz XNFQDMREJPKEAA-WBVHZDCISA-N 0 3 390.871 3.837 20 5 GHBDHN COc1cc(CNC[C@]2(C)CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001203889379 1027683920 /nfs/dbraw/zinc/68/39/20/1027683920.db2.gz FQUKNBBDRSSRJC-INIZCTEOSA-N 0 3 392.374 3.593 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(-c3nc(-c4ccc5c(n4)CCNC5)no3)o2)cc1 ZINC001213724601 1028350726 /nfs/dbraw/zinc/35/07/26/1028350726.db2.gz PDVVTGDACVMZPR-UHFFFAOYSA-N 0 3 389.371 3.613 20 5 GHBDHN O=[N+]([O-])c1ccc2ncnc(O[C@H]3[C@@H]4CC[C@H]3CN(Cc3ccccc3)C4)c2c1 ZINC001226435791 1031958820 /nfs/dbraw/zinc/95/88/20/1031958820.db2.gz FRXJMSWDRXCZNW-LFUKPOHLSA-N 0 3 390.443 3.827 20 5 GHBDHN CNc1ccc(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC001160751672 1035056248 /nfs/dbraw/zinc/05/62/48/1035056248.db2.gz YEVPMTGQLBNPCP-OAQYLSRUSA-N 0 3 398.507 3.868 20 5 GHBDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001248662012 1036036088 /nfs/dbraw/zinc/03/60/88/1036036088.db2.gz GPBCDMGGMHYLOK-MSOLQXFVSA-N 0 3 396.491 3.819 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001462052329 1069968439 /nfs/dbraw/zinc/96/84/39/1069968439.db2.gz LUEGJPXIORJXFQ-UONOGXRCSA-N 0 3 387.484 3.923 20 5 GHBDHN COC(=O)C1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCCCC1 ZINC001462084342 1069986293 /nfs/dbraw/zinc/98/62/93/1069986293.db2.gz MAQJWHMAHZTHHM-UHFFFAOYSA-N 0 3 391.287 3.632 20 5 GHBDHN O=[N+]([O-])c1cccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC001233574071 1039450141 /nfs/dbraw/zinc/45/01/41/1039450141.db2.gz FUVAWVGKXSHUSC-IGOJGBNBSA-N 0 3 383.404 3.792 20 5 GHBDHN CCOC(=O)c1coc(C2CCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001254571359 1040348462 /nfs/dbraw/zinc/34/84/62/1040348462.db2.gz SYIFJGWAWOECNY-AWEZNQCLSA-N 0 3 387.436 3.570 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1ccc(Br)c(Cl)n1)C2 ZINC001254578166 1040353873 /nfs/dbraw/zinc/35/38/73/1040353873.db2.gz JYQIOVUHZHXOMS-GFCCVEGCSA-N 0 3 382.645 3.663 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1COc3cc(Br)ccc31)C2 ZINC001254585196 1040360198 /nfs/dbraw/zinc/36/01/98/1040360198.db2.gz LJPKSXFQLYNSMX-XJKSGUPXSA-N 0 3 375.222 3.548 20 5 GHBDHN Cc1ccc(N2C[C@]3(CCN([C@H]4Cc5ccc([N+](=O)[O-])cc5C4)C3)CC2=O)s1 ZINC001254595103 1040367748 /nfs/dbraw/zinc/36/77/48/1040367748.db2.gz JBGSMQYZQFEUCO-GHTZIAJQSA-N 0 3 397.500 3.561 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC(c3nnc(-c4ccccc4)o3)CC1)C2 ZINC001254598513 1040371408 /nfs/dbraw/zinc/37/14/08/1040371408.db2.gz HHYULGFETRAHIF-FQEVSTJZSA-N 0 3 390.443 3.992 20 5 GHBDHN COc1cc(N2CCC(NCc3cc(F)c(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC001256085400 1041516320 /nfs/dbraw/zinc/51/63/20/1041516320.db2.gz NPCWJNDFYITVMD-UHFFFAOYSA-N 0 3 395.381 3.779 20 5 GHBDHN CO[C@@](C)(CNCc1ccc(Cl)cc1[N+](=O)[O-])COCc1ccccc1 ZINC000702821093 1047713485 /nfs/dbraw/zinc/71/34/85/1047713485.db2.gz XDDOQPMDYHTOTP-IBGZPJMESA-N 0 3 378.856 3.960 20 5 GHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCN2CCC[C@H]2C)cc1 ZINC001306829222 1048918138 /nfs/dbraw/zinc/91/81/38/1048918138.db2.gz PIPOSHBZRGEWGP-OAHLLOKOSA-N 0 3 399.447 3.610 20 5 GHBDHN CCN1CCN(c2ccc(Nc3nc4c(cc3[N+](=O)[O-])CCCC4)cc2)CC1 ZINC001306913692 1048957614 /nfs/dbraw/zinc/95/76/14/1048957614.db2.gz DTSZMGOQPPGXEU-UHFFFAOYSA-N 0 3 381.480 3.754 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)COc3cccc(F)c3)o2)cc1 ZINC001308221551 1049917907 /nfs/dbraw/zinc/91/79/07/1049917907.db2.gz CKNZYAKIOMWBSD-QGZVFWFLSA-N 0 3 386.379 3.523 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308443897 1049977964 /nfs/dbraw/zinc/97/79/64/1049977964.db2.gz CHXZGSPHHRHIHF-IAGOWNOFSA-N 0 3 393.484 3.775 20 5 GHBDHN COc1c(O)ccc(CNCC2(c3c(F)cccc3F)CCC2)c1[N+](=O)[O-] ZINC001308821791 1050107884 /nfs/dbraw/zinc/10/78/84/1050107884.db2.gz ZHYKWDWIYFZLGG-UHFFFAOYSA-N 0 3 378.375 3.799 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]CC2(c3c(F)cccc3F)CCC2)c1[N+](=O)[O-] ZINC001308821791 1050107898 /nfs/dbraw/zinc/10/78/98/1050107898.db2.gz ZHYKWDWIYFZLGG-UHFFFAOYSA-N 0 3 378.375 3.799 20 5 GHBDHN C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001312817646 1052881058 /nfs/dbraw/zinc/88/10/58/1052881058.db2.gz UUVHUVXFEGFBOR-UWVAXJGDSA-N 0 3 396.491 3.661 20 5 GHBDHN COc1ccc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345370628 1055009955 /nfs/dbraw/zinc/00/99/55/1055009955.db2.gz LUMOXWVSWFJYGM-GOEBONIOSA-N 0 3 384.436 3.560 20 5 GHBDHN C[C@@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001319894955 1055527024 /nfs/dbraw/zinc/52/70/24/1055527024.db2.gz IWDYXUIRQIGIBK-GFCCVEGCSA-N 0 3 381.354 3.694 20 5 GHBDHN C[C@H](COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1 ZINC000847959809 1056279039 /nfs/dbraw/zinc/27/90/39/1056279039.db2.gz KVABLBWOUXODKD-CYBMUJFWSA-N 0 3 375.450 3.750 20 5 GHBDHN COc1ccccc1C1(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC001323506500 1056979152 /nfs/dbraw/zinc/97/91/52/1056979152.db2.gz WONPKVHJZLRQOH-HNNXBMFYSA-N 0 3 383.448 3.990 20 5 GHBDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001435562930 1062735992 /nfs/dbraw/zinc/73/59/92/1062735992.db2.gz JHZSGXZXCDPNAT-HNNXBMFYSA-N 0 3 388.237 3.508 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCN(C)C3(CCCCC3)C2)cc1C ZINC001458386773 1063777738 /nfs/dbraw/zinc/77/77/38/1063777738.db2.gz UETSJYMJUBBBKB-UHFFFAOYSA-N 0 3 375.469 3.535 20 5 GHBDHN CC(C)CN(Cc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001459375746 1064080302 /nfs/dbraw/zinc/08/03/02/1064080302.db2.gz DWXIRAPVHWAGAT-KRWDZBQOSA-N 0 3 376.428 3.632 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001465915924 1065920640 /nfs/dbraw/zinc/92/06/40/1065920640.db2.gz OIFGADPVGHAGLJ-GOEBONIOSA-N 0 3 385.489 3.710 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001200365895 1065994122 /nfs/dbraw/zinc/99/41/22/1065994122.db2.gz POFRIYOMSPZSFX-CQSZACIVSA-N 0 3 381.473 3.729 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466987989 1066430565 /nfs/dbraw/zinc/43/05/65/1066430565.db2.gz CGKAEGAZCXMSLZ-MAUKXSAKSA-N 0 3 398.463 3.778 20 5 GHBDHN CN(C)CCONC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC001468997185 1067948109 /nfs/dbraw/zinc/94/81/09/1067948109.db2.gz YKMQDRLPFIUOCM-UHFFFAOYSA-N 0 3 395.868 3.622 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(Cc3cccc(F)c3F)CC2)cc1 ZINC001460234167 1068875946 /nfs/dbraw/zinc/87/59/46/1068875946.db2.gz QDPUCCHEHLVDNC-IBGZPJMESA-N 0 3 376.403 3.861 20 5 GHBDHN O=[N+]([O-])c1cccc(F)c1NCCCCN1CCN(Cc2ccccc2)CC1 ZINC001472662233 1073603232 /nfs/dbraw/zinc/60/32/32/1073603232.db2.gz IOSICZVQOJDMCS-UHFFFAOYSA-N 0 3 386.471 3.744 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC001472667233 1073605850 /nfs/dbraw/zinc/60/58/50/1073605850.db2.gz QTYLHYMXIFFMBP-FRRDWIJNSA-N 0 3 383.876 3.813 20 5 GHBDHN COc1ccc(OCCN2CCC[C@@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001473303878 1073912862 /nfs/dbraw/zinc/91/28/62/1073912862.db2.gz WTCLBFBCGDELLJ-LJQANCHMSA-N 0 3 399.491 3.891 20 5 GHBDHN CO[C@](C)(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CC1 ZINC001474396961 1074383920 /nfs/dbraw/zinc/38/39/20/1074383920.db2.gz MVOQFYVGCRDCJH-QGZVFWFLSA-N 0 3 387.402 3.551 20 5 GHBDHN CCOc1cc(N2CCN(CCc3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-] ZINC001474492011 1074430317 /nfs/dbraw/zinc/43/03/17/1074430317.db2.gz VXOLYQAPQZOQTH-UHFFFAOYSA-N 0 3 383.492 3.975 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825125496 608493193 /nfs/dbraw/zinc/49/31/93/608493193.db2.gz CNWHPXOFKSJABK-CZUORRHYSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825125496 608493194 /nfs/dbraw/zinc/49/31/94/608493194.db2.gz CNWHPXOFKSJABK-CZUORRHYSA-N 0 3 398.492 3.996 20 5 GHBDHN C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584650 609342286 /nfs/dbraw/zinc/34/22/86/609342286.db2.gz DDEYLEUPUWQRMW-CYBMUJFWSA-N 0 3 384.415 3.588 20 5 GHBDHN C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584650 609342288 /nfs/dbraw/zinc/34/22/88/609342288.db2.gz DDEYLEUPUWQRMW-CYBMUJFWSA-N 0 3 384.415 3.588 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H](CCO)C(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000161824108 834858211 /nfs/dbraw/zinc/85/82/11/834858211.db2.gz BGDBZYGVAZHHPS-FXAWDEMLSA-N 0 3 385.464 3.580 20 5 GHBDHN COc1ccc(-c2ccc(CNCCN3Cc4ccccc4C3)o2)c([N+](=O)[O-])c1 ZINC000608837128 834937648 /nfs/dbraw/zinc/93/76/48/834937648.db2.gz RUTWGWITEYCKNC-UHFFFAOYSA-N 0 3 393.443 3.969 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000430209450 835119121 /nfs/dbraw/zinc/11/91/21/835119121.db2.gz XXIHPOSPOQGTKJ-GOSISDBHSA-N 0 3 380.448 3.926 20 5 GHBDHN CN1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[C@@H]1c1ccccc1 ZINC000179471173 835735008 /nfs/dbraw/zinc/73/50/08/835735008.db2.gz KAAAWHRCQNZZDY-SFTDATJTSA-N 0 3 394.475 3.714 20 5 GHBDHN COc1ccc(C[C@@H](C)CN(C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000535615825 835780777 /nfs/dbraw/zinc/78/07/77/835780777.db2.gz GJROJQWZXWQBPV-HZPDHXFCSA-N 0 3 385.464 3.741 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000500861372 844096161 /nfs/dbraw/zinc/09/61/61/844096161.db2.gz JLJXDQNVZRVCOB-LPHOPBHVSA-N 0 3 392.459 3.501 20 5 GHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H](c1cccs1)N1CCCC1 ZINC000065841394 836032742 /nfs/dbraw/zinc/03/27/42/836032742.db2.gz SIQNERROQYXLBZ-SFHVURJKSA-N 0 3 398.488 3.564 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065936574 836255188 /nfs/dbraw/zinc/25/51/88/836255188.db2.gz AGFIYGFJOOJRAD-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000411655738 836270314 /nfs/dbraw/zinc/27/03/14/836270314.db2.gz MLLJYOAPHPJEQX-KRWDZBQOSA-N 0 3 377.828 3.554 20 5 GHBDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000275468044 837086598 /nfs/dbraw/zinc/08/65/98/837086598.db2.gz HOUSEJRQZRHERN-AZUAARDMSA-N 0 3 382.420 3.598 20 5 GHBDHN Cn1cc(CNCc2cnccc2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414494618 838594008 /nfs/dbraw/zinc/59/40/08/838594008.db2.gz FSMBCCOJPIKWKH-UHFFFAOYSA-N 0 3 379.464 3.978 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000471530049 838755950 /nfs/dbraw/zinc/75/59/50/838755950.db2.gz QJDOSOPHLGOEBG-YZVOILCLSA-N 0 3 387.505 3.883 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2SCC)c([N+](=O)[O-])c1 ZINC000190059967 839523443 /nfs/dbraw/zinc/52/34/43/839523443.db2.gz QAQLFEZEZFICFR-RDJZCZTQSA-N 0 3 381.498 3.586 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN(C)C ZINC000584007704 839859250 /nfs/dbraw/zinc/85/92/50/839859250.db2.gz ISHJJNUFCSPNPB-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN C[C@H]1CN(Cc2cccc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475976 840814074 /nfs/dbraw/zinc/81/40/74/840814074.db2.gz RKXLCIRLLZOIRN-HRAATJIYSA-N 0 3 381.476 3.593 20 5 GHBDHN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(N2CCCC2)c1 ZINC000126402736 841045326 /nfs/dbraw/zinc/04/53/26/841045326.db2.gz ZRRCSJHDMGTIDH-IIBYNOLFSA-N 0 3 394.475 3.651 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2F)c1 ZINC000112820923 842389681 /nfs/dbraw/zinc/38/96/81/842389681.db2.gz RUWGABUFDKLMIM-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN Cc1nccn1-c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279160212 842662105 /nfs/dbraw/zinc/66/21/05/842662105.db2.gz UAFHECVFUHCPGG-IBGZPJMESA-N 0 3 377.448 3.996 20 5 GHBDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000599600615 861399157 /nfs/dbraw/zinc/39/91/57/861399157.db2.gz OKKSFSIBDLOONI-AWEZNQCLSA-N 0 3 387.436 3.600 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000500457278 843482816 /nfs/dbraw/zinc/48/28/16/843482816.db2.gz OPWNZAMCBBZTBZ-AWEZNQCLSA-N 0 3 397.258 3.920 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000500469756 843497426 /nfs/dbraw/zinc/49/74/26/843497426.db2.gz LUVWNBFNIFCXAD-FQEVSTJZSA-N 0 3 390.411 3.773 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000513248919 845119063 /nfs/dbraw/zinc/11/90/63/845119063.db2.gz KGAFFOAQSUHACO-VQIMIIECSA-N 0 3 399.516 3.856 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119822875 846353412 /nfs/dbraw/zinc/35/34/12/846353412.db2.gz NMHWMIMBGWYYPE-HXUWFJFHSA-N 0 3 378.432 3.643 20 5 GHBDHN CC[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000582099376 846353774 /nfs/dbraw/zinc/35/37/74/846353774.db2.gz GBLLLNMGNCHDCV-JXFKEZNVSA-N 0 3 381.476 3.651 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000501261229 846775350 /nfs/dbraw/zinc/77/53/50/846775350.db2.gz YVBGUFNTDIGHHI-GDBMZVCRSA-N 0 3 385.489 3.882 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCN(C2CCCCC2)CC1 ZINC000599829165 861755245 /nfs/dbraw/zinc/75/52/45/861755245.db2.gz ALZCPSPRVSDZQV-UHFFFAOYSA-N 0 3 383.452 3.625 20 5 GHBDHN Cc1c(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000504737197 850264408 /nfs/dbraw/zinc/26/44/08/850264408.db2.gz JANHTOIESRIKGJ-UHFFFAOYSA-N 0 3 382.464 3.862 20 5 GHBDHN CC(C)N1CCN(c2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2)CC1 ZINC000504968098 850492467 /nfs/dbraw/zinc/49/24/67/850492467.db2.gz CBXHHQJXRZOJSB-UHFFFAOYSA-N 0 3 393.447 3.842 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000519187330 850736401 /nfs/dbraw/zinc/73/64/01/850736401.db2.gz ZVUUKYANHXYNCD-OAQYLSRUSA-N 0 3 397.475 3.869 20 5 GHBDHN CO[C@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000514085505 851222435 /nfs/dbraw/zinc/22/24/35/851222435.db2.gz XJDCIQIUWISIKQ-NVXWUHKLSA-N 0 3 376.844 3.517 20 5 GHBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436132384 851241559 /nfs/dbraw/zinc/24/15/59/851241559.db2.gz ASLCXTFYLRKHRF-HUUCEWRRSA-N 0 3 395.478 3.671 20 5 GHBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000488965177 851898332 /nfs/dbraw/zinc/89/83/32/851898332.db2.gz CFNWKRQMTMSXSG-INIZCTEOSA-N 0 3 384.480 3.650 20 5 GHBDHN CCN(CC)[C@@H](CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000489186012 852100077 /nfs/dbraw/zinc/10/00/77/852100077.db2.gz RDFZYMSGFOZSMF-SFHVURJKSA-N 0 3 395.463 3.870 20 5 GHBDHN C[C@@H](CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc(Br)c1 ZINC000425958239 852115863 /nfs/dbraw/zinc/11/58/63/852115863.db2.gz FLKUPYOBBVUCBY-ZDUSSCGKSA-N 0 3 393.285 3.994 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)n1 ZINC000425998614 852364286 /nfs/dbraw/zinc/36/42/86/852364286.db2.gz KLYXLAXEHCPYTL-UHFFFAOYSA-N 0 3 386.843 3.672 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000543184105 852419961 /nfs/dbraw/zinc/41/99/61/852419961.db2.gz BFVQLFHNKCWWIJ-HXUWFJFHSA-N 0 3 388.489 3.890 20 5 GHBDHN CSc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000029178000 852583401 /nfs/dbraw/zinc/58/34/01/852583401.db2.gz VXZDOAHYWBMRLP-KRWDZBQOSA-N 0 3 385.489 3.884 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489895153 852629121 /nfs/dbraw/zinc/62/91/21/852629121.db2.gz XMUYEUQCKNKKDD-VQIMIIECSA-N 0 3 382.464 3.538 20 5 GHBDHN C[C@H](CO[C@@H]1CCOC1)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000151242382 853196173 /nfs/dbraw/zinc/19/61/73/853196173.db2.gz JYOCNRLIVDSECM-VQIMIIECSA-N 0 3 385.464 3.646 20 5 GHBDHN CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479900 853370767 /nfs/dbraw/zinc/37/07/67/853370767.db2.gz GLCKFTQUMWTYCJ-MRXNPFEDSA-N 0 3 393.484 3.825 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N(C)C)cc1 ZINC000426308737 853402314 /nfs/dbraw/zinc/40/23/14/853402314.db2.gz XFCRPURWRJKDDA-NRFANRHFSA-N 0 3 396.491 3.880 20 5 GHBDHN CCOc1cc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000426400356 853697686 /nfs/dbraw/zinc/69/76/86/853697686.db2.gz HVAYMUURGFBQPW-IAGOWNOFSA-N 0 3 391.512 3.709 20 5 GHBDHN CCOc1cc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000426400357 853697879 /nfs/dbraw/zinc/69/78/79/853697879.db2.gz HVAYMUURGFBQPW-IRXDYDNUSA-N 0 3 391.512 3.709 20 5 GHBDHN COc1cc(CN(C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000141198449 853880547 /nfs/dbraw/zinc/88/05/47/853880547.db2.gz VLTQJDMZFXOBJU-UHFFFAOYSA-N 0 3 378.375 3.804 20 5 GHBDHN C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458892940 854472707 /nfs/dbraw/zinc/47/27/07/854472707.db2.gz WAYKZHPIZMVPTK-UWJYYQICSA-N 0 3 396.491 3.962 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2Cc2cccc(OC)c2)c1 ZINC000589497448 854910500 /nfs/dbraw/zinc/91/05/00/854910500.db2.gz XBZYWADLLLMWQN-SFHVURJKSA-N 0 3 384.432 3.597 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000553666867 855203788 /nfs/dbraw/zinc/20/37/88/855203788.db2.gz MPEVWNKXANDTRA-FQEVSTJZSA-N 0 3 385.464 3.723 20 5 GHBDHN COC(=O)c1c(Cl)c(NC[C@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000590575171 855494955 /nfs/dbraw/zinc/49/49/55/855494955.db2.gz XFFQFFWIRVBADF-OAHLLOKOSA-N 0 3 395.818 3.889 20 5 GHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000520537029 855594124 /nfs/dbraw/zinc/59/41/24/855594124.db2.gz KUMNZZJXCTXQEE-HXUWFJFHSA-N 0 3 378.432 3.643 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)n2)cc1 ZINC000280976527 862786539 /nfs/dbraw/zinc/78/65/39/862786539.db2.gz KYDOHSHDUHBOPE-KZNAEPCWSA-N 0 3 386.452 3.550 20 5 GHBDHN COC1CCN(C(C)(C)CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000520772785 856417056 /nfs/dbraw/zinc/41/70/56/856417056.db2.gz GRKYVRLSQLTOOE-UHFFFAOYSA-N 0 3 391.512 3.512 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000323685610 856477094 /nfs/dbraw/zinc/47/70/94/856477094.db2.gz BRXYHHCKHRHJEC-OAHLLOKOSA-N 0 3 387.867 3.842 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)o2)cc1 ZINC000281028049 862811234 /nfs/dbraw/zinc/81/12/34/862811234.db2.gz OXNLOXRNMAHDCW-KSZLIROESA-N 0 3 386.452 3.550 20 5 GHBDHN CC(C)(C)OC(=O)CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132248 856674974 /nfs/dbraw/zinc/67/49/74/856674974.db2.gz DYNMAGXPFRCDGD-IYARVYRRSA-N 0 3 392.496 3.822 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccccc2F)CCC1 ZINC000592145413 856697169 /nfs/dbraw/zinc/69/71/69/856697169.db2.gz YRWRGMWFWBBRAO-UHFFFAOYSA-N 0 3 387.411 3.740 20 5 GHBDHN CC(C)(NC[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429239136 856714996 /nfs/dbraw/zinc/71/49/96/856714996.db2.gz PLOKZHSWERJTNT-LAUBAEHRSA-N 0 3 384.476 3.875 20 5 GHBDHN Cc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c2cccc([N+](=O)[O-])c2n1 ZINC000485996202 857327083 /nfs/dbraw/zinc/32/70/83/857327083.db2.gz PRTRBOSUDPHDFC-JTSKRJEESA-N 0 3 391.475 3.976 20 5 GHBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000301711926 857338158 /nfs/dbraw/zinc/33/81/58/857338158.db2.gz ICGJFVYKHRDXCZ-STQMWFEESA-N 0 3 386.290 3.659 20 5 GHBDHN COc1ccc([C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000301754052 857552235 /nfs/dbraw/zinc/55/22/35/857552235.db2.gz WMRRMLMNTQZYRZ-KRWDZBQOSA-N 0 3 376.844 3.901 20 5 GHBDHN NC(=O)CC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000159717809 862958887 /nfs/dbraw/zinc/95/88/87/862958887.db2.gz QOYRRCTYWOPFOW-UHFFFAOYSA-N 0 3 377.828 3.596 20 5 GHBDHN COC(=O)/C=C/c1ccc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301844823 858201163 /nfs/dbraw/zinc/20/11/63/858201163.db2.gz SPZBKACUNYWPRR-YYOBNKEPSA-N 0 3 381.432 3.638 20 5 GHBDHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594719188 858262496 /nfs/dbraw/zinc/26/24/96/858262496.db2.gz ZSALKOMUNKAXQI-RRQGHBQHSA-N 0 3 375.469 3.638 20 5 GHBDHN CCN(CC)[C@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])c1ccco1 ZINC000078878121 858285190 /nfs/dbraw/zinc/28/51/90/858285190.db2.gz IFVGRFQGLZVVMX-GOSISDBHSA-N 0 3 388.468 3.821 20 5 GHBDHN CCN(CC)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccco1 ZINC000078878176 858285399 /nfs/dbraw/zinc/28/53/99/858285399.db2.gz GJJQKMFEDLUCOD-GOSISDBHSA-N 0 3 386.452 3.575 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000595013327 858350405 /nfs/dbraw/zinc/35/04/05/858350405.db2.gz HCVYRZLYGLBGGQ-STQMWFEESA-N 0 3 376.844 3.581 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000595037604 858375414 /nfs/dbraw/zinc/37/54/14/858375414.db2.gz AEYBNWZKRRMQPW-WCQYABFASA-N 0 3 398.381 3.523 20 5 GHBDHN CC(C)(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@@]1(O)CCCOC1 ZINC000595107303 858407455 /nfs/dbraw/zinc/40/74/55/858407455.db2.gz XCINIJFZEVYXMP-IFMALSPDSA-N 0 3 384.476 3.842 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000595778148 858684024 /nfs/dbraw/zinc/68/40/24/858684024.db2.gz PTIPCBOWCJKSCC-JKSUJKDBSA-N 0 3 375.469 3.558 20 5 GHBDHN Cc1nc2ccccc2n1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000482900816 858951083 /nfs/dbraw/zinc/95/10/83/858951083.db2.gz SZVAYILEUCVVHW-UHFFFAOYSA-N 0 3 380.448 3.969 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@H](O)C34CCOCC4)o2)c(Cl)c1 ZINC000923021598 858951480 /nfs/dbraw/zinc/95/14/80/858951480.db2.gz SUFPWDLTMVSXEB-ROUUACIJSA-N 0 3 392.839 3.528 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328343 881365523 /nfs/dbraw/zinc/36/55/23/881365523.db2.gz JXXQPFGZGNWCPH-DCGLDWPTSA-N 0 3 390.402 3.560 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000543632286 859120173 /nfs/dbraw/zinc/12/01/73/859120173.db2.gz RNFBKTDPVPQNDR-OAHLLOKOSA-N 0 3 388.855 3.802 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1cccs1)N1CCCC1 ZINC000117746745 859604321 /nfs/dbraw/zinc/60/43/21/859604321.db2.gz AOWYOIUNDHVKHJ-MRXNPFEDSA-N 0 3 393.896 3.806 20 5 GHBDHN COc1ccc(C[C@H](C)N2CC[C@@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC001170347596 881470345 /nfs/dbraw/zinc/47/03/45/881470345.db2.gz SCNVFSWZEGKHLG-MAUKXSAKSA-N 0 3 386.448 3.696 20 5 GHBDHN COC(=O)COc1ccc(CNC2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000474371491 859941923 /nfs/dbraw/zinc/94/19/23/859941923.db2.gz XIIOFDKGOPRAHE-UHFFFAOYSA-N 0 3 384.432 3.706 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@@H](N2CCCC2)C1 ZINC000301270777 859964798 /nfs/dbraw/zinc/96/47/98/859964798.db2.gz QTYOZTONAYAQGZ-GFCCVEGCSA-N 0 3 388.346 3.586 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CC[C@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351237 881485708 /nfs/dbraw/zinc/48/57/08/881485708.db2.gz BQEXBIBMTIEIHJ-HUUCEWRRSA-N 0 3 378.469 3.588 20 5 GHBDHN C[C@@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000895833983 859996454 /nfs/dbraw/zinc/99/64/54/859996454.db2.gz QYIUHUVWUAILHO-LBPRGKRZSA-N 0 3 382.869 3.545 20 5 GHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154298635 860053529 /nfs/dbraw/zinc/05/35/29/860053529.db2.gz XFKLKYVEJUIDCC-KRWDZBQOSA-N 0 3 390.443 3.537 20 5 GHBDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092706236 860108904 /nfs/dbraw/zinc/10/89/04/860108904.db2.gz PTPJXZWQHVPRGU-MRXNPFEDSA-N 0 3 385.464 3.839 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nc(-c2ccccn2)cs1 ZINC000123931730 860152553 /nfs/dbraw/zinc/15/25/53/860152553.db2.gz SZGOQJVMKKTPHK-UHFFFAOYSA-N 0 3 384.461 3.844 20 5 GHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(CCC(F)(F)F)CC1 ZINC000602685471 860217120 /nfs/dbraw/zinc/21/71/20/860217120.db2.gz HEUMEAKXASBQLV-UHFFFAOYSA-N 0 3 386.374 3.585 20 5 GHBDHN O=c1[n-]ccc(N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1[N+](=O)[O-] ZINC000603418471 860694692 /nfs/dbraw/zinc/69/46/92/860694692.db2.gz JPRRHBWZYVJEGP-UHFFFAOYSA-N 0 3 382.464 3.578 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)[C@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000598986491 860700470 /nfs/dbraw/zinc/70/04/70/860700470.db2.gz BCGDKSRBYFTMEV-VQIMIIECSA-N 0 3 392.839 3.670 20 5 GHBDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126537407 861071273 /nfs/dbraw/zinc/07/12/73/861071273.db2.gz KRKOZJYGIKLIQN-JKSUJKDBSA-N 0 3 382.464 3.873 20 5 GHBDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126537613 861071443 /nfs/dbraw/zinc/07/14/43/861071443.db2.gz KRKOZJYGIKLIQN-HZPDHXFCSA-N 0 3 382.464 3.873 20 5 GHBDHN C[C@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593897264 863215603 /nfs/dbraw/zinc/21/56/03/863215603.db2.gz JANSPMLVCADEPA-INIZCTEOSA-N 0 3 390.443 3.595 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000734002714 863913043 /nfs/dbraw/zinc/91/30/43/863913043.db2.gz UFLKOOWPHIFGPS-IBGZPJMESA-N 0 3 381.473 3.632 20 5 GHBDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000494432633 881712210 /nfs/dbraw/zinc/71/22/10/881712210.db2.gz HTKQPKHTYKBWMN-JKSUJKDBSA-N 0 3 395.253 3.866 20 5 GHBDHN C[C@@H](CC(=O)N1CCCCCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494448980 881739497 /nfs/dbraw/zinc/73/94/97/881739497.db2.gz ASSQDJCJFUQJDX-ZDUSSCGKSA-N 0 3 387.402 3.884 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(NC3CC(N4CCC(C(F)(F)F)CC4)C3)ccc2c1 ZINC000480560547 864864140 /nfs/dbraw/zinc/86/41/40/864864140.db2.gz XAMKMOJMSBGNDQ-UHFFFAOYSA-N 0 3 394.397 3.782 20 5 GHBDHN C[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184912926 865038991 /nfs/dbraw/zinc/03/89/91/865038991.db2.gz AOWMRJPZBSOWTK-SUMWQHHRSA-N 0 3 391.468 3.852 20 5 GHBDHN CCOc1cc(N2CCN(Cc3cccc4[nH]ccc43)CC2)ccc1[N+](=O)[O-] ZINC000475494592 866045704 /nfs/dbraw/zinc/04/57/04/866045704.db2.gz RWQWXLACLDTPIY-UHFFFAOYSA-N 0 3 380.448 3.797 20 5 GHBDHN C[C@H](C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185493403 866146580 /nfs/dbraw/zinc/14/65/80/866146580.db2.gz CASQXXWEOCVQKJ-YQQAZPJKSA-N 0 3 385.439 3.617 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000456338038 866499256 /nfs/dbraw/zinc/49/92/56/866499256.db2.gz NZNQWXQXKIUMRY-MRXNPFEDSA-N 0 3 392.459 3.670 20 5 GHBDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000456782298 867138936 /nfs/dbraw/zinc/13/89/36/867138936.db2.gz LCPQBYQNGNIDIS-UHFFFAOYSA-N 0 3 389.839 3.974 20 5 GHBDHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000444925370 867469157 /nfs/dbraw/zinc/46/91/57/867469157.db2.gz SYMZGXVZVJNPQR-SFHVURJKSA-N 0 3 398.463 3.732 20 5 GHBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000534840801 867619661 /nfs/dbraw/zinc/61/96/61/867619661.db2.gz DKAOAPQXXRJJBN-NRFANRHFSA-N 0 3 392.459 3.956 20 5 GHBDHN COc1cnccc1N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000475620956 867680803 /nfs/dbraw/zinc/68/08/03/867680803.db2.gz GGFCMXPXUWNEPE-UHFFFAOYSA-N 0 3 394.431 3.581 20 5 GHBDHN CN(C)Cc1ccccc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487510335 867928777 /nfs/dbraw/zinc/92/87/77/867928777.db2.gz CUIMNHRWRFOAKU-UHFFFAOYSA-N 0 3 381.354 3.605 20 5 GHBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1OC ZINC000479900000 868669128 /nfs/dbraw/zinc/66/91/28/868669128.db2.gz JAQLARXBEMNNOR-IUIKQTSFSA-N 0 3 383.876 3.759 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462414443 869395676 /nfs/dbraw/zinc/39/56/76/869395676.db2.gz LZUFOXUJQZDMEE-WOJBJXKFSA-N 0 3 381.476 3.554 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000539672410 869589364 /nfs/dbraw/zinc/58/93/64/869589364.db2.gz WHUYVMCVJVJAAA-ZIAGYGMSSA-N 0 3 377.510 3.842 20 5 GHBDHN O=C(CCN[C@@H](c1ccc(F)cc1F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC001192616510 870564404 /nfs/dbraw/zinc/56/44/04/870564404.db2.gz KVLVSTKKBYNBNC-LJQANCHMSA-N 0 3 375.375 3.943 20 5 GHBDHN CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746397461 870606769 /nfs/dbraw/zinc/60/67/69/870606769.db2.gz LYHZLWDQGYWESP-IBGZPJMESA-N 0 3 384.505 3.888 20 5 GHBDHN Cc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461721014 870833176 /nfs/dbraw/zinc/83/31/76/870833176.db2.gz VNHPWFJJGKOOKN-QGZVFWFLSA-N 0 3 388.434 3.606 20 5 GHBDHN COc1ccc(OCCN(Cc2ccccc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441238624 871355240 /nfs/dbraw/zinc/35/52/40/871355240.db2.gz ZANAIXAVJCYUSU-LJQANCHMSA-N 0 3 386.448 3.663 20 5 GHBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540524056 871489997 /nfs/dbraw/zinc/48/99/97/871489997.db2.gz DNEHAWCXNVXBKV-KRWDZBQOSA-N 0 3 382.464 3.651 20 5 GHBDHN CCCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCC[C@H]1OC ZINC001194349097 871631081 /nfs/dbraw/zinc/63/10/81/871631081.db2.gz YQEVTJYGLOAMLA-WOJBJXKFSA-N 0 3 389.496 3.544 20 5 GHBDHN Cn1nccc1N1CCC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000447557731 871854171 /nfs/dbraw/zinc/85/41/71/871854171.db2.gz LMFOZEUIWFQDCM-DENIHFKCSA-N 0 3 391.475 3.676 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000767713387 872776771 /nfs/dbraw/zinc/77/67/71/872776771.db2.gz WVYAKEWBNOXLGA-NSHDSACASA-N 0 3 388.773 3.606 20 5 GHBDHN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1O ZINC000448359445 873260560 /nfs/dbraw/zinc/26/05/60/873260560.db2.gz MKBVQYYCEGOZBD-MRXNPFEDSA-N 0 3 395.253 3.820 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129848981 874321385 /nfs/dbraw/zinc/32/13/85/874321385.db2.gz BQOPIIJUEBCLMO-YVEFUNNKSA-N 0 3 377.441 3.608 20 5 GHBDHN CN(C)[C@@H](CNCc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001198907722 874723919 /nfs/dbraw/zinc/72/39/19/874723919.db2.gz FNCXHPUZOXJYJA-KRWDZBQOSA-N 0 3 378.270 3.750 20 5 GHBDHN COc1ccc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542034765 874819989 /nfs/dbraw/zinc/81/99/89/874819989.db2.gz JDXGXFITPKLCOS-SFHVURJKSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542034763 874820657 /nfs/dbraw/zinc/82/06/57/874820657.db2.gz JDXGXFITPKLCOS-GOSISDBHSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000542070155 874867173 /nfs/dbraw/zinc/86/71/73/874867173.db2.gz XPCRAWKXYYHFRJ-HNNXBMFYSA-N 0 3 387.411 3.593 20 5 GHBDHN CC(C)(C)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000542252224 875223529 /nfs/dbraw/zinc/22/35/29/875223529.db2.gz ACQRFAWDTPFMFE-LIRRHRJNSA-N 0 3 394.418 3.990 20 5 GHBDHN CC(C)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000542252679 875226919 /nfs/dbraw/zinc/22/69/19/875226919.db2.gz FKKBVLNWHXNRLW-LIRRHRJNSA-N 0 3 378.856 3.975 20 5 GHBDHN COc1ccc([C@H](CNc2nccc3c2cccc3[N+](=O)[O-])N(C)C)cc1OC ZINC000450215821 876096992 /nfs/dbraw/zinc/09/69/92/876096992.db2.gz MCAAKHBRMWGRRW-SFHVURJKSA-N 0 3 396.447 3.875 20 5 GHBDHN COc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000450854725 877013865 /nfs/dbraw/zinc/01/38/65/877013865.db2.gz GPGYHTRRZKMUAD-VUCTXSBTSA-N 0 3 398.406 3.642 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000237578535 877632813 /nfs/dbraw/zinc/63/28/13/877632813.db2.gz PYTAWFGZCQQUHS-MRXNPFEDSA-N 0 3 382.464 3.702 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)N(C)C)cc1 ZINC000787813674 877635757 /nfs/dbraw/zinc/63/57/57/877635757.db2.gz VXZYHAPOQYBHAY-MRXNPFEDSA-N 0 3 376.844 3.981 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000068134143 877944609 /nfs/dbraw/zinc/94/46/09/877944609.db2.gz JVTNVUZTFVDENA-NVXWUHKLSA-N 0 3 377.510 3.552 20 5 GHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(CN(C)C)c1 ZINC000068352419 878356546 /nfs/dbraw/zinc/35/65/46/878356546.db2.gz OTGFVVKTJMYFNG-GFCCVEGCSA-N 0 3 377.828 3.716 20 5 GHBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NCCc1ccccc1 ZINC000237948319 878388930 /nfs/dbraw/zinc/38/89/30/878388930.db2.gz QTGPGHFHPBWPTJ-UHFFFAOYSA-N 0 3 395.484 3.772 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000537865408 878416006 /nfs/dbraw/zinc/41/60/06/878416006.db2.gz ZTWNADSQVPYZSS-GOSISDBHSA-N 0 3 383.448 3.560 20 5 GHBDHN Cc1cccc([C@@H](NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(C)(C)C)c1 ZINC000538235470 879096030 /nfs/dbraw/zinc/09/60/30/879096030.db2.gz STNCDUIRKLSITE-HXUWFJFHSA-N 0 3 399.447 3.947 20 5 GHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854100192 879531692 /nfs/dbraw/zinc/53/16/92/879531692.db2.gz PRJMXMPRYNXFPC-OAHLLOKOSA-N 0 3 392.463 3.726 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 ZINC000531348830 879672567 /nfs/dbraw/zinc/67/25/67/879672567.db2.gz IAGUGEQIRDZPNR-UHFFFAOYSA-N 0 3 377.404 3.709 20 5 GHBDHN COC[C@@](C)(CCO)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000531410310 879776318 /nfs/dbraw/zinc/77/63/18/879776318.db2.gz IBYYSLPBYCHVDL-HXUWFJFHSA-N 0 3 390.505 3.932 20 5 GHBDHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130263462 880685511 /nfs/dbraw/zinc/68/55/11/880685511.db2.gz FXSOJIXFYOYWMP-SFHVURJKSA-N 0 3 397.450 3.531 20 5 GHBDHN CCC[C@@H](NCCn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000453252899 880685650 /nfs/dbraw/zinc/68/56/50/880685650.db2.gz OQZDMPLCGNUVRY-MRXNPFEDSA-N 0 3 394.269 3.650 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000791981650 880820487 /nfs/dbraw/zinc/82/04/87/880820487.db2.gz XHFPBYIGHCYVED-PXNSSMCTSA-N 0 3 394.475 3.540 20 5 GHBDHN C[C@@]1(Br)C[C@H]1CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC001183532188 912641540 /nfs/dbraw/zinc/64/15/40/912641540.db2.gz BVWYJOVGADHAPB-JOYOIKCWSA-N 0 3 378.064 3.620 20 5 GHBDHN COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000792526089 881155780 /nfs/dbraw/zinc/15/57/80/881155780.db2.gz YBLMWQPJTTYJNX-IEBWSBKVSA-N 0 3 395.459 3.668 20 5 GHBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792556587 881191388 /nfs/dbraw/zinc/19/13/88/881191388.db2.gz VENKCTNARBNAKO-UTCJRWHESA-N 0 3 397.397 3.530 20 5 GHBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286283601 912668148 /nfs/dbraw/zinc/66/81/48/912668148.db2.gz RKAJIXUWKOONLB-LBPRGKRZSA-N 0 3 384.465 3.632 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCN(CC2CCCCC2)CC1 ZINC000609784952 883680272 /nfs/dbraw/zinc/68/02/72/883680272.db2.gz QONOPJXHZCEMKN-UHFFFAOYSA-N 0 3 379.888 3.515 20 5 GHBDHN COc1cc(CNC[C@@H]2CCCS2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000152564354 883998897 /nfs/dbraw/zinc/99/88/97/883998897.db2.gz ZNUPNBGCYUKMCW-NSHDSACASA-N 0 3 380.388 3.530 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@@H](C)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914571941 884177981 /nfs/dbraw/zinc/17/79/81/884177981.db2.gz UMGSSRHWPWLRLG-SIJIIQCFSA-N 0 3 395.459 3.640 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@@H](C)Cn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000556261440 884272090 /nfs/dbraw/zinc/27/20/90/884272090.db2.gz SBVJRIZQICJOIH-QWHCGFSZSA-N 0 3 394.269 3.567 20 5 GHBDHN Cc1ccc(Sc2ccc(CNCCNC(=O)C3CC3)cc2[N+](=O)[O-])cc1 ZINC000237872296 884691332 /nfs/dbraw/zinc/69/13/32/884691332.db2.gz GKHPTVOUWRYTQN-UHFFFAOYSA-N 0 3 385.489 3.670 20 5 GHBDHN CCOc1ccc(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000032246251 885304336 /nfs/dbraw/zinc/30/43/36/885304336.db2.gz TZKVCZWCPBQWJV-IBGZPJMESA-N 0 3 385.464 3.589 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000194915302 885686903 /nfs/dbraw/zinc/68/69/03/885686903.db2.gz XSRREYPTQLXGLI-GOSISDBHSA-N 0 3 385.439 3.605 20 5 GHBDHN COCC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000495433470 885757099 /nfs/dbraw/zinc/75/70/99/885757099.db2.gz OCWAPYNTSLWBES-DYVFJYSZSA-N 0 3 375.425 3.581 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3COc4ccccc4[C@@H]3O)s2)cc1 ZINC000808452810 886365831 /nfs/dbraw/zinc/36/58/31/886365831.db2.gz RDUBOLCHYUWPHE-PXNSSMCTSA-N 0 3 382.441 3.908 20 5 GHBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCC2 ZINC000809559805 887539424 /nfs/dbraw/zinc/53/94/24/887539424.db2.gz AZZWUUXIDFPYSG-HOTGVXAUSA-N 0 3 381.860 3.514 20 5 GHBDHN O=[N+]([O-])c1cc(OC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1Cl ZINC000810019688 888086810 /nfs/dbraw/zinc/08/68/10/888086810.db2.gz ONCVDEZMTREBDY-QGZVFWFLSA-N 0 3 376.840 3.918 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC001132338048 888622987 /nfs/dbraw/zinc/62/29/87/888622987.db2.gz HFKROMLHMXNHKM-GOSISDBHSA-N 0 3 397.475 3.778 20 5 GHBDHN CN1CCC(N(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c2ccccc2)CC1 ZINC000763407823 889232032 /nfs/dbraw/zinc/23/20/32/889232032.db2.gz IHYUAPJSBLFYJW-UHFFFAOYSA-N 0 3 375.375 3.614 20 5 GHBDHN CC(C)N(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1F ZINC000533251227 890096614 /nfs/dbraw/zinc/09/66/14/890096614.db2.gz VGOYCHNQECDXCO-UHFFFAOYSA-N 0 3 387.411 3.943 20 5 GHBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000533292722 890208971 /nfs/dbraw/zinc/20/89/71/890208971.db2.gz DNZWDWUMXISYJQ-MOPGFXCFSA-N 0 3 389.496 3.644 20 5 GHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000812840269 891028276 /nfs/dbraw/zinc/02/82/76/891028276.db2.gz GZBDZXNDQLHGPT-TWILYEHCSA-N 0 3 377.441 3.655 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000717060674 891661983 /nfs/dbraw/zinc/66/19/83/891661983.db2.gz BNTFQSCBGVFDRK-AWEZNQCLSA-N 0 3 385.411 3.577 20 5 GHBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000813522641 891707274 /nfs/dbraw/zinc/70/72/74/891707274.db2.gz ZDITWGGCQPHYAN-IERDGZPVSA-N 0 3 396.491 3.616 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000813680567 891871507 /nfs/dbraw/zinc/87/15/07/891871507.db2.gz QXRDRZWKJBHJKI-IBGZPJMESA-N 0 3 389.427 3.554 20 5 GHBDHN COc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000459625837 893919641 /nfs/dbraw/zinc/91/96/41/893919641.db2.gz BHSVMIHEGYNBRN-BETUJISGSA-N 0 3 392.374 3.590 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000536874581 893987108 /nfs/dbraw/zinc/98/71/08/893987108.db2.gz CWBDZJAFMKONPD-ACJLOTCBSA-N 0 3 387.411 3.955 20 5 GHBDHN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 ZINC000815636033 894084468 /nfs/dbraw/zinc/08/44/68/894084468.db2.gz NVFAZDMLFLNTIK-ZIAGYGMSSA-N 0 3 384.436 3.936 20 5 GHBDHN COc1ccc(CNCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000565297294 895516063 /nfs/dbraw/zinc/51/60/63/895516063.db2.gz PWKISVZZHQHERU-UHFFFAOYSA-N 0 3 397.353 3.741 20 5 GHBDHN C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000565795088 895885271 /nfs/dbraw/zinc/88/52/71/895885271.db2.gz JAOOQVDFQBXNCO-OXJNMPFZSA-N 0 3 381.476 3.652 20 5 GHBDHN COc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000819016135 896350909 /nfs/dbraw/zinc/35/09/09/896350909.db2.gz VGNQJNBZDAPKCU-LJQANCHMSA-N 0 3 386.448 3.748 20 5 GHBDHN COc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OC2CCCC2)c1 ZINC000819129762 896429357 /nfs/dbraw/zinc/42/93/57/896429357.db2.gz OFLTWLUDEYRNHX-HXUWFJFHSA-N 0 3 386.448 3.748 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cccc(Cl)c1 ZINC000567080258 896857968 /nfs/dbraw/zinc/85/79/68/896857968.db2.gz GOSHFPLFFKTTNR-GOSISDBHSA-N 0 3 391.855 3.863 20 5 GHBDHN C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000567137874 896904902 /nfs/dbraw/zinc/90/49/02/896904902.db2.gz YNGDILSOIZGUGL-MGPUTAFESA-N 0 3 399.466 3.791 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000026908815 897330811 /nfs/dbraw/zinc/33/08/11/897330811.db2.gz RUMNPVDNHZYDSC-IZZDOVSWSA-N 0 3 394.475 3.697 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000568787308 898100237 /nfs/dbraw/zinc/10/02/37/898100237.db2.gz WUVPWKAQHFCVOA-LBPRGKRZSA-N 0 3 398.301 3.516 20 5 GHBDHN Cn1ccnc1[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000825325871 900094044 /nfs/dbraw/zinc/09/40/44/900094044.db2.gz HTCQZLZWQMWXKH-GXTWGEPZSA-N 0 3 385.251 3.645 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000576507158 902065279 /nfs/dbraw/zinc/06/52/79/902065279.db2.gz XOBVZURACTZGNE-PKOBYXMFSA-N 0 3 375.856 3.792 20 5 GHBDHN CCOc1ccccc1OCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873235 902474913 /nfs/dbraw/zinc/47/49/13/902474913.db2.gz SGOXLENCKRUNEN-BFUOFWGJSA-N 0 3 377.368 3.553 20 5 GHBDHN CCCNC(=O)c1cccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845874649 902476776 /nfs/dbraw/zinc/47/67/76/902476776.db2.gz IFCCRXJFSKRFNB-FZKQIMNGSA-N 0 3 388.395 3.529 20 5 GHBDHN CC([C@@H](OC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845876713 902480611 /nfs/dbraw/zinc/48/06/11/902480611.db2.gz OAMUSMVFTWLPHZ-KZULUSFZSA-N 0 3 391.399 3.749 20 5 GHBDHN COc1cccc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1F ZINC000845879983 902484110 /nfs/dbraw/zinc/48/41/10/902484110.db2.gz JOCRXOKRJVMXJT-BLVKFPJESA-N 0 3 379.359 3.856 20 5 GHBDHN CCOCc1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845881503 902485464 /nfs/dbraw/zinc/48/54/64/902485464.db2.gz LKYCPRMOCYCREP-XHDPSFHLSA-N 0 3 382.413 3.690 20 5 GHBDHN Cc1nn(C(C)C)c(C)c1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883455 902486751 /nfs/dbraw/zinc/48/67/51/902486751.db2.gz SNUFHYMWIIBLSV-KUHUBIRLSA-N 0 3 377.416 3.712 20 5 GHBDHN CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@@H]1CCN(CC)C1 ZINC001146909851 903636435 /nfs/dbraw/zinc/63/64/35/903636435.db2.gz FFVNGRBUKFNCJT-SECBINFHSA-N 0 3 378.231 3.597 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](Nc3ncccn3)C2)s1 ZINC000578508111 903916750 /nfs/dbraw/zinc/91/67/50/903916750.db2.gz WBRAPDQYHUVPPO-AWEZNQCLSA-N 0 3 381.461 3.800 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3cc(F)ccc3F)CC2)c(F)c1 ZINC001173005172 906078758 /nfs/dbraw/zinc/07/87/58/906078758.db2.gz DEDQFGZYVLPOCH-UHFFFAOYSA-N 0 3 383.345 3.910 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3ccncc3Cl)CC2)c(F)c1 ZINC001173009309 906084838 /nfs/dbraw/zinc/08/48/38/906084838.db2.gz NIDARYSNXURPKO-UHFFFAOYSA-N 0 3 382.798 3.680 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](c2cccnc2F)C2CC2)c1F ZINC001173181431 906261078 /nfs/dbraw/zinc/26/10/78/906261078.db2.gz VWZMNBPGVVLLBQ-BBATYDOGSA-N 0 3 377.391 3.949 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)Cc2ccc(OC)c(OC)c2)c1F ZINC001173189582 906269602 /nfs/dbraw/zinc/26/96/02/906269602.db2.gz LBBUOIXOKVIMIS-CYBMUJFWSA-N 0 3 392.427 3.823 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001173223997 906305573 /nfs/dbraw/zinc/30/55/73/906305573.db2.gz DCSHAOZTIHYRRF-MAUKXSAKSA-N 0 3 377.485 3.905 20 5 GHBDHN CCO[C@H]1C[C@@H](NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC001178916210 909314484 /nfs/dbraw/zinc/31/44/84/909314484.db2.gz BTEKFDOKTKPQIL-HDICACEKSA-N 0 3 386.448 3.840 20 5 GHBDHN COc1cc(CN[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000269861998 910369764 /nfs/dbraw/zinc/36/97/64/910369764.db2.gz JKUPDADONOOTPR-IYARVYRRSA-N 0 3 386.448 3.576 20 5 GHBDHN CC(=O)NCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000271141993 910792896 /nfs/dbraw/zinc/79/28/96/910792896.db2.gz POSLEGKETTYQNU-UHFFFAOYSA-N 0 3 391.855 3.856 20 5 GHBDHN Cc1cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC001186922919 914902799 /nfs/dbraw/zinc/90/27/99/914902799.db2.gz SGTODLVHNLITAZ-LEWJYISDSA-N 0 3 385.439 3.522 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000292748236 915824917 /nfs/dbraw/zinc/82/49/17/915824917.db2.gz VMHUMACRWBPYGR-MRXNPFEDSA-N 0 3 381.354 3.646 20 5 GHBDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC001191257736 917851233 /nfs/dbraw/zinc/85/12/33/917851233.db2.gz KPZHYZIANNDPMI-BXWFABGCSA-N 0 3 388.464 3.963 20 5 GHBDHN O=C(c1cc(Cl)c[nH]1)N1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000796503594 917888114 /nfs/dbraw/zinc/88/81/14/917888114.db2.gz NWKMQJQEDKUPKQ-UHFFFAOYSA-N 0 3 397.262 3.624 20 5 GHBDHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119798540 919654777 /nfs/dbraw/zinc/65/47/77/919654777.db2.gz BDTOQQUPDFTXDZ-SFHVURJKSA-N 0 3 397.450 3.531 20 5 GHBDHN C[NH+](C)C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000802382940 922064620 /nfs/dbraw/zinc/06/46/20/922064620.db2.gz YISIHAPCUSOUFR-MRXNPFEDSA-N 0 3 397.809 3.759 20 5 GHBDHN O=C(CN[C@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371543434 924651542 /nfs/dbraw/zinc/65/15/42/924651542.db2.gz BMWAJYJOIHUBPS-AUUYWEPGSA-N 0 3 389.839 3.554 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)o1 ZINC000373343684 926037161 /nfs/dbraw/zinc/03/71/61/926037161.db2.gz JUPKOPQOJKIAMR-LJQANCHMSA-N 0 3 382.420 3.524 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000411399054 926365883 /nfs/dbraw/zinc/36/58/83/926365883.db2.gz DXTQJUYVMBIUQX-OTWHNJEPSA-N 0 3 387.505 3.959 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000726601062 926755526 /nfs/dbraw/zinc/75/55/26/926755526.db2.gz PQJKUDHOKOSOFT-QAPCUYQASA-N 0 3 377.485 3.905 20 5 GHBDHN COc1ccc([C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)N(C)C)cc1OC ZINC000413026479 928116332 /nfs/dbraw/zinc/11/63/32/928116332.db2.gz JBFOIBFKZZHQTD-SFHVURJKSA-N 0 3 396.447 3.875 20 5 GHBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000546056279 929811581 /nfs/dbraw/zinc/81/15/81/929811581.db2.gz PYKWHRXIVMLLBI-NQIIRXRSSA-N 0 3 385.464 3.646 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000470168369 930425898 /nfs/dbraw/zinc/42/58/98/930425898.db2.gz ZWFIVWSFLCGBQY-FQEVSTJZSA-N 0 3 387.455 3.549 20 5 GHBDHN COc1cccc(CN2CCC(Nc3ncnc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000782140693 931098969 /nfs/dbraw/zinc/09/89/69/931098969.db2.gz GDGSPOPTPPOZRD-UHFFFAOYSA-N 0 3 393.447 3.623 20 5 GHBDHN O=C1NCC2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC2)O1 ZINC000783721744 931630544 /nfs/dbraw/zinc/63/05/44/931630544.db2.gz MJHCIUGPSZOUEK-UHFFFAOYSA-N 0 3 391.811 3.583 20 5 GHBDHN C/C(=C/C(=O)NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783893279 931706426 /nfs/dbraw/zinc/70/64/26/931706426.db2.gz IUMYDBKBBRPKLC-ICFOKQHNSA-N 0 3 379.460 3.563 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C)=C(c2ccco2)C1 ZINC000558734669 932200527 /nfs/dbraw/zinc/20/05/27/932200527.db2.gz SDZBYMPEJNXMJC-UHFFFAOYSA-N 0 3 385.420 3.704 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(Cc1cccc2nsnc21)[C@H]1CC[C@H](O)CC1 ZINC000828807870 935716900 /nfs/dbraw/zinc/71/69/00/935716900.db2.gz SHUFSGAORCWBBW-QAQDUYKDSA-N 0 3 398.488 3.905 20 5 GHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC001625778007 1014150303 /nfs/dbraw/zinc/15/03/03/1014150303.db2.gz IKPDQZQRYAEBFP-OAQYLSRUSA-N 0 3 383.492 3.755 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000468656035 1015877345 /nfs/dbraw/zinc/87/73/45/1015877345.db2.gz QTJZJQDIYBBRNH-SBSDCYMPSA-N 0 3 391.471 3.745 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccccc1N1CCOCC1 ZINC000470173542 1016742366 /nfs/dbraw/zinc/74/23/66/1016742366.db2.gz CKIRYAQGKABMMR-NBVRZTHBSA-N 0 3 381.476 3.967 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470820793 1016899498 /nfs/dbraw/zinc/89/94/98/1016899498.db2.gz DRAXBTATGUCENO-OAQYLSRUSA-N 0 3 395.503 3.995 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000561653050 1017916281 /nfs/dbraw/zinc/91/62/81/1017916281.db2.gz SXXFGVDZKRGEOO-IBGZPJMESA-N 0 3 389.427 3.554 20 5 GHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000561720459 1017930642 /nfs/dbraw/zinc/93/06/42/1017930642.db2.gz PWLWEZKMZRNUSO-HXUWFJFHSA-N 0 3 387.455 3.965 20 5 GHBDHN CN(Cc1ccc(OCC(F)(F)F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796105354 1021109394 /nfs/dbraw/zinc/10/93/94/1021109394.db2.gz AYVXPZMFDPUZAT-KRWDZBQOSA-N 0 3 384.354 3.701 20 5 GHBDHN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754313967 1022608448 /nfs/dbraw/zinc/60/84/48/1022608448.db2.gz MAHJFUJHFOUOGD-KBPBESRZSA-N 0 3 381.448 3.859 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCCN2CCc3ccccc3C2)cc1Cl ZINC000836349333 1022905943 /nfs/dbraw/zinc/90/59/43/1022905943.db2.gz QDZGMIRMKHHMGR-UHFFFAOYSA-N 0 3 387.867 3.735 20 5 GHBDHN C[C@H](C(=O)OCC1CCN(Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000755747995 1023360766 /nfs/dbraw/zinc/36/07/66/1023360766.db2.gz ORMNMGNJUDAFEY-AWEZNQCLSA-N 0 3 390.411 3.886 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1F ZINC000832320358 1025440320 /nfs/dbraw/zinc/44/03/20/1025440320.db2.gz SFHFCMLONOKLDC-KPZWWZAWSA-N 0 3 377.391 3.603 20 5 GHBDHN O=[N+]([O-])c1ccc(CCN2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000839156844 1025660558 /nfs/dbraw/zinc/66/05/58/1025660558.db2.gz JKRJEARSVBBYJY-FQEVSTJZSA-N 0 3 376.403 3.861 20 5 GHBDHN C[C@@H](N)c1nc2ccccc2n1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001162766548 1025911482 /nfs/dbraw/zinc/91/14/82/1025911482.db2.gz PGMYJNDDGJJJKQ-GFCCVEGCSA-N 0 3 376.376 3.536 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000841024408 1028050908 /nfs/dbraw/zinc/05/09/08/1028050908.db2.gz STQYTYHKNZBRAB-RYTRXMBJSA-N 0 3 391.471 3.841 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3nn(-c4ccccc4)cc3[N+](=O)[O-])n2)cc1 ZINC001215027938 1028999964 /nfs/dbraw/zinc/99/99/64/1028999964.db2.gz YYOFWSCUTHYLPD-UHFFFAOYSA-N 0 3 390.403 3.559 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NCc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000401079348 1029075668 /nfs/dbraw/zinc/07/56/68/1029075668.db2.gz MHVRAPBXRWVDJY-KKUMJFAQSA-N 0 3 381.498 3.782 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccc(-n4cccn4)c([N+](=O)[O-])c3)n2)cc1 ZINC001216999021 1030066908 /nfs/dbraw/zinc/06/69/08/1030066908.db2.gz DCGREFMQEMQYRP-UHFFFAOYSA-N 0 3 390.403 3.559 20 5 GHBDHN COC(=O)c1ccc(CO[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223413331 1030564694 /nfs/dbraw/zinc/56/46/94/1030564694.db2.gz KWGNRRRRAVTFJF-LJQANCHMSA-N 0 3 384.432 3.563 20 5 GHBDHN CCOC(=O)c1ccc(CO[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223964708 1030829795 /nfs/dbraw/zinc/82/97/95/1030829795.db2.gz WBAUSQUPIFTBRD-LJQANCHMSA-N 0 3 384.432 3.563 20 5 GHBDHN CN1CCC(N(Cc2ccc(F)cc2)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001158445920 1034080275 /nfs/dbraw/zinc/08/02/75/1034080275.db2.gz MJQMPDGJJNUDOP-UHFFFAOYSA-N 0 3 378.835 3.883 20 5 GHBDHN CSc1nc(Cl)c([N+](=O)[O-])c(N(C2CCCC2)C2CCN(C)CC2)n1 ZINC001158485107 1034103722 /nfs/dbraw/zinc/10/37/22/1034103722.db2.gz GYWIEBOVSYZYOY-UHFFFAOYSA-N 0 3 385.921 3.603 20 5 GHBDHN CCN1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C(C)(C)C1 ZINC001158569787 1034158528 /nfs/dbraw/zinc/15/85/28/1034158528.db2.gz YBZREYHZHNWFHU-UHFFFAOYSA-N 0 3 375.860 3.626 20 5 GHBDHN CCc1cc(N2CCCc3ccc(CN)nc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158655601 1034218462 /nfs/dbraw/zinc/21/84/62/1034218462.db2.gz HEKDGOFCIKHXAV-UHFFFAOYSA-N 0 3 390.447 3.552 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1OC1CCN(C2CC2)CC1 ZINC001231235889 1034476518 /nfs/dbraw/zinc/47/65/18/1034476518.db2.gz GHWXBEMDDNJOJK-UHFFFAOYSA-N 0 3 375.303 3.527 20 5 GHBDHN CN(CC(=O)N1CCOCC1)Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001231816459 1034926333 /nfs/dbraw/zinc/92/63/33/1034926333.db2.gz CPSFLVPCPIBLKE-UHFFFAOYSA-N 0 3 388.467 3.981 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001462121106 1070012781 /nfs/dbraw/zinc/01/27/81/1070012781.db2.gz MCGSJTUTHITRMA-QWHCGFSZSA-N 0 3 390.440 3.662 20 5 GHBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001234409007 1040012460 /nfs/dbraw/zinc/01/24/60/1040012460.db2.gz TXNXLLUARSTUNZ-LJQANCHMSA-N 0 3 398.459 3.744 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(n2c3ccccc3oc2=O)CC1 ZINC001254560562 1040332028 /nfs/dbraw/zinc/33/20/28/1040332028.db2.gz VMPOVGFBGPBHBQ-OAHLLOKOSA-N 0 3 381.432 3.771 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001254562106 1040334638 /nfs/dbraw/zinc/33/46/38/1040334638.db2.gz JOMGSMFDMRTEHZ-YPMHNXCESA-N 0 3 384.358 3.807 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@]1(C)CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612374 1040384426 /nfs/dbraw/zinc/38/44/26/1040384426.db2.gz VSUGXHPETBLRIQ-NQIIRXRSSA-N 0 3 389.496 3.689 20 5 GHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001290312884 1049799233 /nfs/dbraw/zinc/79/92/33/1049799233.db2.gz VBOVMWSLFVTTTN-NRFANRHFSA-N 0 3 393.487 3.970 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001308304117 1049943863 /nfs/dbraw/zinc/94/38/63/1049943863.db2.gz WJJJNHUIPCRGPY-UHFFFAOYSA-N 0 3 391.855 3.992 20 5 GHBDHN Cc1nc2c(cccc2CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC001308514474 1049995256 /nfs/dbraw/zinc/99/52/56/1049995256.db2.gz VNRAEEYUOWMBQD-UHFFFAOYSA-N 0 3 377.347 3.978 20 5 GHBDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC001308534665 1050001505 /nfs/dbraw/zinc/00/15/05/1050001505.db2.gz HANNBBPITBGVBT-LLVKDONJSA-N 0 3 381.335 3.998 20 5 GHBDHN Cc1cc(NC(=O)N(CCCc2ccccc2)CCN(C)C)cc([N+](=O)[O-])c1 ZINC001311320053 1052017261 /nfs/dbraw/zinc/01/72/61/1052017261.db2.gz FQNPHNABGXTWLI-UHFFFAOYSA-N 0 3 384.480 3.932 20 5 GHBDHN C[C@@H](CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001313352184 1053027799 /nfs/dbraw/zinc/02/77/99/1053027799.db2.gz NAADJLHXQNEVSX-JTSKRJEESA-N 0 3 396.491 3.662 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC001345606413 1055148563 /nfs/dbraw/zinc/14/85/63/1055148563.db2.gz POEYGNCWTWZHJB-IFMALSPDSA-N 0 3 392.459 3.540 20 5 GHBDHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001320718277 1055938354 /nfs/dbraw/zinc/93/83/54/1055938354.db2.gz ZTYBFYBBKPPZNH-GOEBONIOSA-N 0 3 378.812 3.940 20 5 GHBDHN C[C@H](COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC1 ZINC000847960829 1056280607 /nfs/dbraw/zinc/28/06/07/1056280607.db2.gz OLQDVBFVDGUVBE-CYBMUJFWSA-N 0 3 375.450 3.750 20 5 GHBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001326280511 1057446656 /nfs/dbraw/zinc/44/66/56/1057446656.db2.gz PWRMOXNXGJLBLY-SJORKVTESA-N 0 3 388.395 3.958 20 5 GHBDHN CC(C)Oc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC001440673501 1058574108 /nfs/dbraw/zinc/57/41/08/1058574108.db2.gz LGXYJDZBKXWNAN-HXUWFJFHSA-N 0 3 397.475 3.949 20 5 GHBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001448998216 1060312998 /nfs/dbraw/zinc/31/29/98/1060312998.db2.gz JVYNGZSAFGFMNR-NSHDSACASA-N 0 3 392.258 3.891 20 5 GHBDHN CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001457541529 1063233092 /nfs/dbraw/zinc/23/30/92/1063233092.db2.gz BVIBUCDOCRLKDU-FDFHNCONSA-N 0 3 393.487 3.821 20 5 GHBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001458204516 1063653692 /nfs/dbraw/zinc/65/36/92/1063653692.db2.gz SDWSMRGZDCXJFV-AWEZNQCLSA-N 0 3 397.401 3.986 20 5 GHBDHN CN(C)CCN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC001351807987 1064613861 /nfs/dbraw/zinc/61/38/61/1064613861.db2.gz ILWGHZUZMCVGEL-UHFFFAOYSA-N 0 3 375.856 3.776 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001464550021 1065076501 /nfs/dbraw/zinc/07/65/01/1065076501.db2.gz YLUBBZJLYGLBDL-GOSISDBHSA-N 0 3 375.856 3.518 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001468275946 1067664602 /nfs/dbraw/zinc/66/46/02/1067664602.db2.gz LOFKOEGZALYVBP-LMMKCTJWSA-N 0 3 396.491 3.833 20 5 GHBDHN C[C@@]1(Cc2cccc(Br)c2)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC001460802930 1069190178 /nfs/dbraw/zinc/19/01/78/1069190178.db2.gz IOJUKDUWTLHDHQ-KRWDZBQOSA-N 0 3 393.285 3.651 20 5 GHBDHN CN(CCCN(C)c1cccc(Br)c1[N+](=O)[O-])Cc1ccncc1 ZINC001472821064 1073680869 /nfs/dbraw/zinc/68/08/69/1073680869.db2.gz CMVLTKHIPJWGNZ-UHFFFAOYSA-N 0 3 393.285 3.711 20 5 GHBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)[C@@H]1OC ZINC001473448336 1073967994 /nfs/dbraw/zinc/96/79/94/1073967994.db2.gz TWHDLCUAJKNIFD-JECHBYEQSA-N 0 3 383.876 3.616 20 5 GHBDHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473507327 1073994215 /nfs/dbraw/zinc/99/42/15/1073994215.db2.gz XGICMXMHKULCOE-GUXCAODWSA-N 0 3 379.460 3.750 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000738359716 598466192 /nfs/dbraw/zinc/46/61/92/598466192.db2.gz MNMVEQXTHUUOBV-UHFFFAOYSA-N 0 3 392.444 3.793 20 5 GHBDHN CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419136 608549256 /nfs/dbraw/zinc/54/92/56/608549256.db2.gz IDEVHXYQPOTAJW-PMGBHYCQSA-N 0 3 378.436 3.871 20 5 GHBDHN CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419136 608549258 /nfs/dbraw/zinc/54/92/58/608549258.db2.gz IDEVHXYQPOTAJW-PMGBHYCQSA-N 0 3 378.436 3.871 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000581965960 837756956 /nfs/dbraw/zinc/75/69/56/837756956.db2.gz FLTFXRYQUSYDCD-LIRRHRJNSA-N 0 3 387.505 3.839 20 5 GHBDHN O=[N+]([O-])c1cnn(CCNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000157680285 835339984 /nfs/dbraw/zinc/33/99/84/835339984.db2.gz ZMRDLYBMHAOIJH-UHFFFAOYSA-N 0 3 382.264 3.619 20 5 GHBDHN C[C@@H](C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000582460802 836298178 /nfs/dbraw/zinc/29/81/78/836298178.db2.gz HQQQHTXTPGJFEB-DYESRHJHSA-N 0 3 381.476 3.821 20 5 GHBDHN O=C(NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1)C1CC1 ZINC000179910827 836313952 /nfs/dbraw/zinc/31/39/52/836313952.db2.gz MGPVZHZYTDYBRX-UHFFFAOYSA-N 0 3 385.489 3.814 20 5 GHBDHN CC[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000612664573 836563913 /nfs/dbraw/zinc/56/39/13/836563913.db2.gz YIDODYVGNCBIHE-QGZVFWFLSA-N 0 3 377.448 3.639 20 5 GHBDHN CCCN(CCN(C)C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000261449402 836605761 /nfs/dbraw/zinc/60/57/61/836605761.db2.gz VNMWXNYFJJNALN-UHFFFAOYSA-N 0 3 384.480 3.621 20 5 GHBDHN COc1ccc([C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)N(C)C)cc1OC ZINC000189406019 838258390 /nfs/dbraw/zinc/25/83/90/838258390.db2.gz KTGVTSBRETUTFB-SFHVURJKSA-N 0 3 396.447 3.875 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3(CO)C4CC5CC(C4)CC3C5)cs2)c1 ZINC000414560277 838625659 /nfs/dbraw/zinc/62/56/59/838625659.db2.gz QTHJEKVHAJXIAW-UHFFFAOYSA-N 0 3 399.516 3.995 20 5 GHBDHN CN(C)CCN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000177684883 838657667 /nfs/dbraw/zinc/65/76/67/838657667.db2.gz DXECMJUTYJNLJZ-UHFFFAOYSA-N 0 3 377.828 3.674 20 5 GHBDHN Cc1sc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1[N+](=O)[O-] ZINC000122278925 838667508 /nfs/dbraw/zinc/66/75/08/838667508.db2.gz MTPVWOYEMSWMKS-UHFFFAOYSA-N 0 3 388.493 3.747 20 5 GHBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000190145271 839236523 /nfs/dbraw/zinc/23/65/23/839236523.db2.gz MPTVWBZNQCTIGY-UHFFFAOYSA-N 0 3 386.452 3.508 20 5 GHBDHN CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC000275822383 839245283 /nfs/dbraw/zinc/24/52/83/839245283.db2.gz SMYDUQCGXWFYPG-QVKFZJNVSA-N 0 3 377.488 3.896 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCSc2ccc(Cl)cc21 ZINC000580372787 839407914 /nfs/dbraw/zinc/40/79/14/839407914.db2.gz NABNOSYEMOFFQX-DZGCQCFKSA-N 0 3 394.880 3.815 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)C2(CCCCC2)C1 ZINC000566422601 840473855 /nfs/dbraw/zinc/47/38/55/840473855.db2.gz AZIWREYLYGBALO-OAHLLOKOSA-N 0 3 385.468 3.656 20 5 GHBDHN COc1cc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000511763452 840676155 /nfs/dbraw/zinc/67/61/55/840676155.db2.gz SPQJBEWDNLOLRQ-AOIWGVFYSA-N 0 3 386.423 3.747 20 5 GHBDHN COC(=O)c1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000417309836 840706759 /nfs/dbraw/zinc/70/67/59/840706759.db2.gz KIGPNACJUKCYBH-LJQANCHMSA-N 0 3 384.432 3.947 20 5 GHBDHN CS(=O)(=O)Cc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417336816 840739007 /nfs/dbraw/zinc/73/90/07/840739007.db2.gz IHSQSGBTSUVTHD-FQEVSTJZSA-N 0 3 388.489 3.697 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CS(=O)(=O)c3ccccc31)CCCC2 ZINC000417353086 840758527 /nfs/dbraw/zinc/75/85/27/840758527.db2.gz WKDHGFDKYLYWRG-KXBFYZLASA-N 0 3 386.473 3.523 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126419676 841053012 /nfs/dbraw/zinc/05/30/12/841053012.db2.gz JNDDUKZXWBPEJU-TXPKVOOTSA-N 0 3 382.464 3.618 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000123101386 841423640 /nfs/dbraw/zinc/42/36/40/841423640.db2.gz UDRNIPHDXUNQHR-MRXNPFEDSA-N 0 3 398.463 3.732 20 5 GHBDHN CO[C@@H](C)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000566646287 841888205 /nfs/dbraw/zinc/88/82/05/841888205.db2.gz HCLWFFYWLIBKQV-INIZCTEOSA-N 0 3 380.448 3.914 20 5 GHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)CC2CCOCC2)cc1OC ZINC000541986313 842065376 /nfs/dbraw/zinc/06/53/76/842065376.db2.gz FUQONJDLGUESKZ-OAHLLOKOSA-N 0 3 380.485 3.887 20 5 GHBDHN O=[N+]([O-])c1c(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc2ncccc21 ZINC000302774182 861358305 /nfs/dbraw/zinc/35/83/05/861358305.db2.gz DMTADXBXYVYGPA-SFHVURJKSA-N 0 3 392.459 3.846 20 5 GHBDHN Cc1ccccc1CN1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610581043 843083697 /nfs/dbraw/zinc/08/36/97/843083697.db2.gz AYGUOFZPFUKXGG-UHFFFAOYSA-N 0 3 380.448 3.752 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429894289 843847833 /nfs/dbraw/zinc/84/78/33/843847833.db2.gz CGISYONWADVJPH-FUHWJXTLSA-N 0 3 381.476 3.824 20 5 GHBDHN Cc1c(CC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000610971873 844938182 /nfs/dbraw/zinc/93/81/82/844938182.db2.gz USIFWJGUSPAKEY-QGZVFWFLSA-N 0 3 381.476 3.569 20 5 GHBDHN COc1ccccc1C[C@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000512709833 845112021 /nfs/dbraw/zinc/11/20/21/845112021.db2.gz HHRNEFMQOGDPSM-GOSISDBHSA-N 0 3 384.432 3.677 20 5 GHBDHN CC1(C)C[C@H](NCc2cccc(CN3CCOCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433138497 845479087 /nfs/dbraw/zinc/47/90/87/845479087.db2.gz YFNXKRVBHRVLNN-QFIPXVFZSA-N 0 3 395.503 3.939 20 5 GHBDHN COc1cc(CNCCc2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237201544 846170053 /nfs/dbraw/zinc/17/00/53/846170053.db2.gz LNHROOWTLVPMEP-UHFFFAOYSA-N 0 3 384.354 3.877 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000158369784 847343789 /nfs/dbraw/zinc/34/37/89/847343789.db2.gz GZSXMHDAZWXQAI-HNNXBMFYSA-N 0 3 387.867 3.985 20 5 GHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481661818 861983909 /nfs/dbraw/zinc/98/39/09/861983909.db2.gz BYLLSMYUFPULEV-UHFFFAOYSA-N 0 3 382.464 3.686 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000583332357 849643715 /nfs/dbraw/zinc/64/37/15/849643715.db2.gz DSDCKCGXPSDNRA-QGZVFWFLSA-N 0 3 394.880 3.689 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583396801 849795528 /nfs/dbraw/zinc/79/55/28/849795528.db2.gz CYPLFWAZUKZMNG-AXNOTKAXSA-N 0 3 397.475 3.863 20 5 GHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000514577079 850017136 /nfs/dbraw/zinc/01/71/36/850017136.db2.gz AITNCUMWCHSDCH-HXUWFJFHSA-N 0 3 381.476 3.798 20 5 GHBDHN CC(C)CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000522638394 862215627 /nfs/dbraw/zinc/21/56/27/862215627.db2.gz OSTAOKCVGKNONX-UHFFFAOYSA-N 0 3 397.903 3.596 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000436263330 851396397 /nfs/dbraw/zinc/39/63/97/851396397.db2.gz GSVGWCYEYVBXRO-SJLPKXTDSA-N 0 3 393.484 3.505 20 5 GHBDHN COc1cccc([C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])N(C)C)c1 ZINC000436272534 851415783 /nfs/dbraw/zinc/41/57/83/851415783.db2.gz GZQYAGKWBQEALV-AWEZNQCLSA-N 0 3 384.358 3.732 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000025056768 852000075 /nfs/dbraw/zinc/00/00/75/852000075.db2.gz BOXAFJDIDRVFPZ-UHFFFAOYSA-N 0 3 395.459 3.827 20 5 GHBDHN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000489848125 852605434 /nfs/dbraw/zinc/60/54/34/852605434.db2.gz XQKWIYPXUGCHGA-ZDUSSCGKSA-N 0 3 398.385 3.606 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489895152 852628960 /nfs/dbraw/zinc/62/89/60/852628960.db2.gz XMUYEUQCKNKKDD-QFBILLFUSA-N 0 3 382.464 3.538 20 5 GHBDHN COC(=O)[C@H](C)Oc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000507168263 852638943 /nfs/dbraw/zinc/63/89/43/852638943.db2.gz BMPCYRQMZWOIHA-INIZCTEOSA-N 0 3 386.448 3.946 20 5 GHBDHN Cc1c([C@H](C)NCc2cccc(CN3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000153481420 854963512 /nfs/dbraw/zinc/96/35/12/854963512.db2.gz GGXNMMFKSAORBF-AEFFLSMTSA-N 0 3 383.492 3.975 20 5 GHBDHN CCO[C@H]1C[C@@H](NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000553463966 855048167 /nfs/dbraw/zinc/04/81/67/855048167.db2.gz ZHQRNDVPUPVFNH-CVEARBPZSA-N 0 3 386.395 3.642 20 5 GHBDHN C[C@@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000465666046 855544874 /nfs/dbraw/zinc/54/48/74/855544874.db2.gz RGPPJRDXUZQEFR-ZWKOTPCHSA-N 0 3 396.491 3.962 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000553944225 855703829 /nfs/dbraw/zinc/70/38/29/855703829.db2.gz PWYPVYFBLRNFOO-QGZVFWFLSA-N 0 3 391.855 3.599 20 5 GHBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591525511 856091122 /nfs/dbraw/zinc/09/11/22/856091122.db2.gz OAEVJELTXNOREO-HNNXBMFYSA-N 0 3 377.510 3.796 20 5 GHBDHN C[C@@H]1CN(CCCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C[C@H](C)O1 ZINC000573570878 856323998 /nfs/dbraw/zinc/32/39/98/856323998.db2.gz NGOMDCCXMHGIGN-JKIFEVAISA-N 0 3 389.418 3.677 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592189246 856792740 /nfs/dbraw/zinc/79/27/40/856792740.db2.gz YYASNRGIYNQGDF-WIYYLYMNSA-N 0 3 380.444 3.728 20 5 GHBDHN Cc1ccc(C[C@H]2CCCN2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000733300251 862845985 /nfs/dbraw/zinc/84/59/85/862845985.db2.gz LIEWHTJQAIIMAW-LJQANCHMSA-N 0 3 377.448 3.826 20 5 GHBDHN CC(C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592695054 857028208 /nfs/dbraw/zinc/02/82/08/857028208.db2.gz UCBIIOFBWIBXGQ-NRFANRHFSA-N 0 3 381.476 3.649 20 5 GHBDHN C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC001128189829 857186946 /nfs/dbraw/zinc/18/69/46/857186946.db2.gz RWAOPLKMJFTAID-XOBRGWDASA-N 0 3 389.883 3.988 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000520855028 857303955 /nfs/dbraw/zinc/30/39/55/857303955.db2.gz QIDSNRMYQVLPOR-DNVCBOLYSA-N 0 3 387.505 3.803 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCOCC(F)(F)F)cs2)c1 ZINC000113320627 857425920 /nfs/dbraw/zinc/42/59/20/857425920.db2.gz XFOXONLLQZGMJI-UHFFFAOYSA-N 0 3 375.372 3.777 20 5 GHBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000486432819 857732584 /nfs/dbraw/zinc/73/25/84/857732584.db2.gz FUBKUWHAGQCASF-HXUWFJFHSA-N 0 3 385.464 3.999 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000521570886 858124958 /nfs/dbraw/zinc/12/49/58/858124958.db2.gz HOVZHBLQVABTNE-UHFFFAOYSA-N 0 3 385.395 3.684 20 5 GHBDHN COc1cc(CN[C@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000521832637 858350035 /nfs/dbraw/zinc/35/00/35/858350035.db2.gz HYSCDQMLZYJEPX-DGCLKSJQSA-N 0 3 392.374 3.592 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cnccc1C(F)(F)F ZINC000596118084 858784185 /nfs/dbraw/zinc/78/41/85/858784185.db2.gz OKJMDEYCIVDFDL-NSHDSACASA-N 0 3 382.342 3.516 20 5 GHBDHN COc1cc(CNC[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597172900 859327345 /nfs/dbraw/zinc/32/73/45/859327345.db2.gz JIINKQBWEAHXHQ-GFCCVEGCSA-N 0 3 381.379 3.536 20 5 GHBDHN COc1cc(CNC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000597222759 859373829 /nfs/dbraw/zinc/37/38/29/859373829.db2.gz HNDHCCLODGJBAF-CYBMUJFWSA-N 0 3 380.338 3.628 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000466529867 859880106 /nfs/dbraw/zinc/88/01/06/859880106.db2.gz PEHXGBPJHSUTRX-LPHOPBHVSA-N 0 3 396.491 3.792 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](c4nc(C)no4)C3)o2)c([N+](=O)[O-])c1 ZINC000091832824 859939071 /nfs/dbraw/zinc/93/90/71/859939071.db2.gz KDCJHHAHZMEODD-CQSZACIVSA-N 0 3 398.419 3.934 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)cc1Br ZINC000602567927 860119472 /nfs/dbraw/zinc/11/94/72/860119472.db2.gz HBMJUVYIOOCWJB-RNCFNFMXSA-N 0 3 393.328 3.563 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)o1 ZINC000093134124 860217000 /nfs/dbraw/zinc/21/70/00/860217000.db2.gz YREDPUITPORNSQ-OAHLLOKOSA-N 0 3 393.447 3.772 20 5 GHBDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124142594 860247468 /nfs/dbraw/zinc/24/74/68/860247468.db2.gz MHZDLPUGRIKNQA-MRXNPFEDSA-N 0 3 385.464 3.839 20 5 GHBDHN C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555229996 860265353 /nfs/dbraw/zinc/26/53/53/860265353.db2.gz SFHQETSTLSJWMH-SCLBCKFNSA-N 0 3 375.856 3.771 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000552257857 860412158 /nfs/dbraw/zinc/41/21/58/860412158.db2.gz ZRAWVTSRULBHJQ-YFVAEKQCSA-N 0 3 397.475 3.783 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@H](O)[C@H]3CCCO3)cc2[N+](=O)[O-])cc1 ZINC000598988364 860704217 /nfs/dbraw/zinc/70/42/17/860704217.db2.gz QILUFWDVIRAMKT-RBUKOAKNSA-N 0 3 388.489 3.684 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474779500 860763727 /nfs/dbraw/zinc/76/37/27/860763727.db2.gz JAGYRNGQHTUEIN-DOMZBBRYSA-N 0 3 391.269 4.000 20 5 GHBDHN O=[N+]([O-])c1c(NCC2CCN(Cc3ccncc3)CC2)ccc2cnccc21 ZINC000599106255 860799877 /nfs/dbraw/zinc/79/98/77/860799877.db2.gz CYAJFRRHTXQMDK-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN Cn1c(=O)ccc2c1CCC[C@H]2NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593694616 860908802 /nfs/dbraw/zinc/90/88/02/860908802.db2.gz OQICBEHNNCAGMS-GOSISDBHSA-N 0 3 379.416 3.721 20 5 GHBDHN Cc1c(CNC[C@@H](O)COc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000392985393 860926498 /nfs/dbraw/zinc/92/64/98/860926498.db2.gz APAKOSIBFFAHKU-CYBMUJFWSA-N 0 3 385.247 3.740 20 5 GHBDHN C[C@@H](C[S@](C)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000184259119 864286275 /nfs/dbraw/zinc/28/62/75/864286275.db2.gz ALWWKPGEZSLOHZ-VDBVYFBLSA-N 0 3 382.869 3.897 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000554634275 864636484 /nfs/dbraw/zinc/63/64/84/864636484.db2.gz SRIMVIOEWQIBCK-CXAGYDPISA-N 0 3 391.443 3.850 20 5 GHBDHN COC(=O)c1csc(-c2cccc(CNCc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000480479121 864703106 /nfs/dbraw/zinc/70/31/06/864703106.db2.gz ULIXDHLPDRIODT-UHFFFAOYSA-N 0 3 383.429 3.795 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000608977611 865873753 /nfs/dbraw/zinc/87/37/53/865873753.db2.gz WGTCCYYHURVAQK-IBGZPJMESA-N 0 3 384.432 3.972 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000475545093 866230844 /nfs/dbraw/zinc/23/08/44/866230844.db2.gz DEOJFSUKYDHMLB-WMZOPIPTSA-N 0 3 382.464 3.996 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741330208 866413139 /nfs/dbraw/zinc/41/31/39/866413139.db2.gz GWNYTRCDUQWXHD-UHFFFAOYSA-N 0 3 384.432 3.559 20 5 GHBDHN C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)OC(C)(C)C ZINC000793216337 882013268 /nfs/dbraw/zinc/01/32/68/882013268.db2.gz YJBVGQOVTDKGJN-ZDUSSCGKSA-N 0 3 375.425 3.858 20 5 GHBDHN C[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)OC(C)(C)C ZINC000793217950 882016585 /nfs/dbraw/zinc/01/65/85/882016585.db2.gz SYDLFTLXUTVEDF-CYBMUJFWSA-N 0 3 375.425 3.858 20 5 GHBDHN NC(=O)CCN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000122115413 867157353 /nfs/dbraw/zinc/15/73/53/867157353.db2.gz TYCCGNYQCBKPNE-UHFFFAOYSA-N 0 3 379.416 3.732 20 5 GHBDHN C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000553525982 867625627 /nfs/dbraw/zinc/62/56/27/867625627.db2.gz LTOGQCJHNLRIBO-CYBMUJFWSA-N 0 3 397.928 3.673 20 5 GHBDHN C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000524885152 869730920 /nfs/dbraw/zinc/73/09/20/869730920.db2.gz KZKNAKLLAKEOJK-QZTJIDSGSA-N 0 3 396.491 3.962 20 5 GHBDHN CCOc1ccc2c(c1)CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000441056350 870095685 /nfs/dbraw/zinc/09/56/85/870095685.db2.gz BLZCUKFADVFJGU-UHFFFAOYSA-N 0 3 383.448 3.689 20 5 GHBDHN COc1cc(CN2CC[C@H](O)C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462865819 870244588 /nfs/dbraw/zinc/24/45/88/870244588.db2.gz FQTNZEXQBHWXCC-FQEVSTJZSA-N 0 3 386.448 3.528 20 5 GHBDHN COCCOC[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538721602 870418998 /nfs/dbraw/zinc/41/89/98/870418998.db2.gz UEHRLGWAKMLCNQ-IBGZPJMESA-N 0 3 399.491 3.848 20 5 GHBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746358069 870541750 /nfs/dbraw/zinc/54/17/50/870541750.db2.gz YSERYCNQOLTTLX-QGFLDLQWSA-N 0 3 379.460 3.731 20 5 GHBDHN COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000463198288 871112777 /nfs/dbraw/zinc/11/27/77/871112777.db2.gz DENSMTACCNRUMX-ZSFPCNDZSA-N 0 3 380.460 3.894 20 5 GHBDHN Cc1c(NC(=O)CCN2CC3(CCCC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000443350492 871482697 /nfs/dbraw/zinc/48/26/97/871482697.db2.gz XRISGJIOROQNTM-UHFFFAOYSA-N 0 3 375.469 3.655 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCS(=O)(=O)Cc1ccccc1 ZINC000127445272 882538025 /nfs/dbraw/zinc/53/80/25/882538025.db2.gz LXHRNRWUJVPFEO-MRXNPFEDSA-N 0 3 376.478 3.559 20 5 GHBDHN C[C@H](N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001194444246 871723860 /nfs/dbraw/zinc/72/38/60/871723860.db2.gz AGECRHMQUREMQI-RYGJVYDSSA-N 0 3 397.475 3.895 20 5 GHBDHN C[C@H](N[C@H]1C[C@H](OCc2ccccc2)C1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001194444249 871724220 /nfs/dbraw/zinc/72/42/20/871724220.db2.gz AGECRHMQUREMQI-YSSFQJQWSA-N 0 3 397.475 3.895 20 5 GHBDHN CCC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000539327040 871744573 /nfs/dbraw/zinc/74/45/73/871744573.db2.gz RONNRYIVHLVLKD-DNVCBOLYSA-N 0 3 380.391 3.744 20 5 GHBDHN CSc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462183490 871786063 /nfs/dbraw/zinc/78/60/63/871786063.db2.gz BXSQUIYPAAKNAP-WMLDXEAASA-N 0 3 385.489 3.567 20 5 GHBDHN Cn1nccc1N1CCC[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000447557732 871853751 /nfs/dbraw/zinc/85/37/51/871853751.db2.gz LMFOZEUIWFQDCM-KNQAVFIVSA-N 0 3 391.475 3.676 20 5 GHBDHN C[C@@H](CN1CCCCC1)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447691406 872129585 /nfs/dbraw/zinc/12/95/85/872129585.db2.gz RBQWKVPCSPSSKW-JTQLQIEISA-N 0 3 382.333 3.930 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000541058623 872813691 /nfs/dbraw/zinc/81/36/91/872813691.db2.gz UIECJWQRUCFTAE-ULQDDVLXSA-N 0 3 392.496 3.887 20 5 GHBDHN COc1cccc2c1OC[C@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000609122328 872897058 /nfs/dbraw/zinc/89/70/58/872897058.db2.gz DZKUNOTWJCRHPG-MRXNPFEDSA-N 0 3 380.400 3.957 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H](O)c3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000767927365 872931920 /nfs/dbraw/zinc/93/19/20/872931920.db2.gz PLRPHJITQPFAIY-HXUWFJFHSA-N 0 3 382.416 3.995 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000769227327 873904931 /nfs/dbraw/zinc/90/49/31/873904931.db2.gz AIRNWXSGFJQVQW-HXUWFJFHSA-N 0 3 376.403 3.861 20 5 GHBDHN Cc1ccc2c(c1)nc(CNC1CCN(c3ccc([N+](=O)[O-])cc3)CC1)n2C ZINC000769554481 874155749 /nfs/dbraw/zinc/15/57/49/874155749.db2.gz DYOQKLHQBXHHRQ-UHFFFAOYSA-N 0 3 379.464 3.549 20 5 GHBDHN COc1cc(CN[C@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494694918 882835734 /nfs/dbraw/zinc/83/57/34/882835734.db2.gz BRLOZOXKFJRLAJ-HOCLYGCPSA-N 0 3 392.402 3.968 20 5 GHBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464843108 874615923 /nfs/dbraw/zinc/61/59/23/874615923.db2.gz PZWSLLKIHXECRV-ZWKOTPCHSA-N 0 3 396.491 3.518 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)CC2CCOCC2)cc1OC ZINC000541986306 874675237 /nfs/dbraw/zinc/67/52/37/874675237.db2.gz FUQONJDLGUESKZ-HNNXBMFYSA-N 0 3 380.485 3.887 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000542028037 874770174 /nfs/dbraw/zinc/77/01/74/874770174.db2.gz JQVMGHQTCPYDQR-SFHVURJKSA-N 0 3 386.452 3.590 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000449547098 875028077 /nfs/dbraw/zinc/02/80/77/875028077.db2.gz GHHYHBCBFZCALJ-OAHLLOKOSA-N 0 3 384.386 3.841 20 5 GHBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccccc3)CC2)c2ccncc21 ZINC000029998549 875797360 /nfs/dbraw/zinc/79/73/60/875797360.db2.gz RXFCJHTWOWLQQD-UHFFFAOYSA-N 0 3 391.475 3.767 20 5 GHBDHN COc1ccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001202425263 876191231 /nfs/dbraw/zinc/19/12/31/876191231.db2.gz MIGYAJZFIYJLIO-GOSISDBHSA-N 0 3 398.463 3.780 20 5 GHBDHN Cc1cc(F)ccc1C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000428716807 877206247 /nfs/dbraw/zinc/20/62/47/877206247.db2.gz JEYIGJHPMCHVRW-SFHVURJKSA-N 0 3 388.439 3.662 20 5 GHBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492676570 877327776 /nfs/dbraw/zinc/32/77/76/877327776.db2.gz RLCZUMYDWYCKET-DOTOQJQBSA-N 0 3 377.485 3.510 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000451102299 877396820 /nfs/dbraw/zinc/39/68/20/877396820.db2.gz CKTVZPKYLYXIRQ-SMDDNHRTSA-N 0 3 385.247 3.992 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000787405536 877399915 /nfs/dbraw/zinc/39/99/15/877399915.db2.gz FRQHBKOKDCBABC-OBHPCNEJSA-N 0 3 375.469 3.845 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000537707120 878105712 /nfs/dbraw/zinc/10/57/12/878105712.db2.gz XQAHRXGFRFKLBX-LJQANCHMSA-N 0 3 381.476 3.867 20 5 GHBDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000852351496 878270553 /nfs/dbraw/zinc/27/05/53/878270553.db2.gz PECIOZUHJMRMJQ-PSOPSSQASA-N 0 3 377.268 3.557 20 5 GHBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccccc1 ZINC000776589697 878294597 /nfs/dbraw/zinc/29/45/97/878294597.db2.gz VHIGHABWEODUOL-UHFFFAOYSA-N 0 3 384.432 3.572 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000531212837 879339874 /nfs/dbraw/zinc/33/98/74/879339874.db2.gz RDCREAVTFWJSOD-IRHLFGLPSA-N 0 3 383.448 3.773 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790169340 879505157 /nfs/dbraw/zinc/50/51/57/879505157.db2.gz MNRMHATXRLHQOA-HKUYNNGSSA-N 0 3 383.423 3.799 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493709696 879605296 /nfs/dbraw/zinc/60/52/96/879605296.db2.gz UGPUMCXXTRXZIX-QAPCUYQASA-N 0 3 388.411 3.541 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)N(C)C)cc1 ZINC000854473767 879836612 /nfs/dbraw/zinc/83/66/12/879836612.db2.gz DCKOFVHAMDXICU-IBGZPJMESA-N 0 3 389.427 3.554 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccccc1Cl)CC1CC1 ZINC001170194463 881227355 /nfs/dbraw/zinc/22/73/55/881227355.db2.gz NXQIAYHPMVTSMW-QGZVFWFLSA-N 0 3 390.867 3.900 20 5 GHBDHN CN1CCC(N(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000609566718 883349575 /nfs/dbraw/zinc/34/95/75/883349575.db2.gz HCISLGFMLYMVBF-UHFFFAOYSA-N 0 3 385.489 3.814 20 5 GHBDHN CN(C)C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000859848005 884118447 /nfs/dbraw/zinc/11/84/47/884118447.db2.gz ZJWXDGJXPVUREO-MSOLQXFVSA-N 0 3 398.290 3.828 20 5 GHBDHN C[C@H](Nc1ccc(C(=O)OCCN2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000919677965 886117447 /nfs/dbraw/zinc/11/74/47/886117447.db2.gz IYRORNJBTLFPJA-INIZCTEOSA-N 0 3 398.463 3.806 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915309029 886300737 /nfs/dbraw/zinc/30/07/37/886300737.db2.gz WMVXFNLKTMNDJF-UHFFFAOYSA-N 0 3 398.916 3.731 20 5 GHBDHN Cc1ccc([C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000272471514 887555451 /nfs/dbraw/zinc/55/54/51/887555451.db2.gz AKMFMYCAGWGKBN-SFTDATJTSA-N 0 3 393.491 3.619 20 5 GHBDHN CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC000794613208 887677637 /nfs/dbraw/zinc/67/76/37/887677637.db2.gz PBRBRWXZMVOHEX-MOPGFXCFSA-N 0 3 391.855 3.535 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000153766156 887895074 /nfs/dbraw/zinc/89/50/74/887895074.db2.gz ZZKMBMXZOYBXPP-UKRRQHHQSA-N 0 3 379.457 3.654 20 5 GHBDHN COc1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3[C@H](N)C2(C)C)cc1SC ZINC000867989844 889249948 /nfs/dbraw/zinc/24/99/48/889249948.db2.gz FSRUBSSJPVRBMW-KRWDZBQOSA-N 0 3 387.461 3.764 20 5 GHBDHN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(C)[N+](=O)[O-])cc3)ccc12 ZINC000813105559 891273372 /nfs/dbraw/zinc/27/33/72/891273372.db2.gz ONEHEHSQTVUHLF-AWEZNQCLSA-N 0 3 397.383 3.502 20 5 GHBDHN CC(COC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)[N+](=O)[O-] ZINC000813115302 891306083 /nfs/dbraw/zinc/30/60/83/891306083.db2.gz OTXHPWQZKYCUQG-BLLLJJGKSA-N 0 3 394.221 3.778 20 5 GHBDHN CC(COC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)[N+](=O)[O-] ZINC000813115304 891306730 /nfs/dbraw/zinc/30/67/30/891306730.db2.gz OTXHPWQZKYCUQG-MLGOLLRUSA-N 0 3 394.221 3.778 20 5 GHBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000813751105 891921271 /nfs/dbraw/zinc/92/12/71/891921271.db2.gz BMPNGRXQYWAUAM-FQEVSTJZSA-N 0 3 387.455 3.965 20 5 GHBDHN CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001134556151 893076918 /nfs/dbraw/zinc/07/69/18/893076918.db2.gz NZPNHKNSHPTCLK-OAHLLOKOSA-N 0 3 377.510 3.844 20 5 GHBDHN O=[N+]([O-])c1sc(CNC[C@@H]2C[C@H]2C2CCOCC2)cc1Br ZINC000877729934 893778389 /nfs/dbraw/zinc/77/83/89/893778389.db2.gz GNBSYPNCJJFLRN-JQWIXIFHSA-N 0 3 375.288 3.571 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000563854050 894262642 /nfs/dbraw/zinc/26/26/42/894262642.db2.gz UGBOIAWTEYCVBN-KRWDZBQOSA-N 0 3 396.491 3.787 20 5 GHBDHN CN(C)C(=O)OC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000816654948 894998281 /nfs/dbraw/zinc/99/82/81/894998281.db2.gz JIDXVKKCHPDXSD-UHFFFAOYSA-N 0 3 389.477 3.986 20 5 GHBDHN COc1cccc(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000565621689 895765483 /nfs/dbraw/zinc/76/54/83/895765483.db2.gz SFBRYOSDLPOTKW-LJQANCHMSA-N 0 3 399.491 3.835 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000819186258 896455731 /nfs/dbraw/zinc/45/57/31/896455731.db2.gz XHFPBYIGHCYVED-XLIONFOSSA-N 0 3 394.475 3.540 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000819341062 896583589 /nfs/dbraw/zinc/58/35/89/896583589.db2.gz FQMNDYUPNFMZNF-KRWDZBQOSA-N 0 3 391.468 3.797 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000819343280 896586511 /nfs/dbraw/zinc/58/65/11/896586511.db2.gz XOOYLAULBQPPNT-HBYKMFCXSA-N 0 3 385.489 3.749 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000820009230 897083247 /nfs/dbraw/zinc/08/32/47/897083247.db2.gz BXCVRTSXZMOSIV-WIYYLYMNSA-N 0 3 390.443 3.833 20 5 GHBDHN COC(=O)C1CCN(CCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000567377201 897104028 /nfs/dbraw/zinc/10/40/28/897104028.db2.gz AKSBGDOJIJQIPQ-UHFFFAOYSA-N 0 3 390.267 3.589 20 5 GHBDHN C[C@@H]1CN(CCCCNc2cccc(Br)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000820675621 897457837 /nfs/dbraw/zinc/45/78/37/897457837.db2.gz JQBSWPKFVSFZRR-CHWSQXEVSA-N 0 3 386.290 3.659 20 5 GHBDHN Cc1ccc(Sc2ccc(C(=O)NC[C@H]3CCCN3C)cc2[N+](=O)[O-])cc1 ZINC000303002518 914190807 /nfs/dbraw/zinc/19/08/07/914190807.db2.gz IGYGEZXEUBUQNM-MRXNPFEDSA-N 0 3 385.489 3.878 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Cc3cc(F)ccc3F)CC2)c1 ZINC001171099505 900480533 /nfs/dbraw/zinc/48/05/33/900480533.db2.gz WNHLXDLRUDXISR-HXUWFJFHSA-N 0 3 376.403 3.861 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000576498352 902057767 /nfs/dbraw/zinc/05/77/67/902057767.db2.gz HZKFVEJIKPFLQI-UHFFFAOYSA-N 0 3 381.436 3.502 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577029555 902444154 /nfs/dbraw/zinc/44/41/54/902444154.db2.gz BMJIRSIJDHSVBL-IEBWSBKVSA-N 0 3 393.846 3.931 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872474 902473395 /nfs/dbraw/zinc/47/33/95/902473395.db2.gz IFUPRVMJPOSRDA-KPZWWZAWSA-N 0 3 386.379 3.738 20 5 GHBDHN CCO[C@H](C)c1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845874827 902476838 /nfs/dbraw/zinc/47/68/38/902476838.db2.gz IUNPCAKRLGLDMU-FIXISWKDSA-N 0 3 382.413 3.943 20 5 GHBDHN Cc1nn(C)c2sc(C(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])cc12 ZINC000845873896 902478034 /nfs/dbraw/zinc/47/80/34/902478034.db2.gz XQAKJUWRWSIEAM-BONVTDFDSA-N 0 3 377.397 3.646 20 5 GHBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])oc2c1C(=O)CCC2 ZINC000845875411 902479617 /nfs/dbraw/zinc/47/96/17/902479617.db2.gz MFVICXWKVOHJGR-VOJFVSQTSA-N 0 3 375.352 3.809 20 5 GHBDHN CC([C@@H](OC(=O)CCC(=O)c1ccc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875977 902479782 /nfs/dbraw/zinc/47/97/82/902479782.db2.gz MJBWLAJBOJYCRM-BBATYDOGSA-N 0 3 394.786 3.787 20 5 GHBDHN CCOC(=O)C1CCC(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845881341 902485045 /nfs/dbraw/zinc/48/50/45/902485045.db2.gz LVEOBKJKXLKKOR-JXGBTDEFSA-N 0 3 395.427 3.835 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F)[N+](=O)[O-] ZINC000845879989 902485373 /nfs/dbraw/zinc/48/53/73/902485373.db2.gz JOESJFLPYFDJAY-PRXAMGSTSA-N 0 3 376.340 3.787 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(F)cc2Br)n1 ZINC000577338412 902696840 /nfs/dbraw/zinc/69/68/40/902696840.db2.gz CTDWWURVGPTPOS-GJZGRUSLSA-N 0 3 397.248 3.966 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)CCCC(=O)c2cccnc2)c1F ZINC001173190475 906271962 /nfs/dbraw/zinc/27/19/62/906271962.db2.gz SZTFMTYGEXHQCV-CQSZACIVSA-N 0 3 389.427 3.663 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c1F ZINC001173191985 906275207 /nfs/dbraw/zinc/27/52/07/906275207.db2.gz GVDZRHZMJPNJJO-ZACQAIPSSA-N 0 3 399.466 3.742 20 5 GHBDHN COc1ccccc1Cn1cnc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226753 906308950 /nfs/dbraw/zinc/30/89/50/906308950.db2.gz ZOPNNQFSDOGCJC-INIZCTEOSA-N 0 3 380.448 3.569 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(n2c3ccccc3oc2=O)CC1 ZINC001173228476 906312444 /nfs/dbraw/zinc/31/24/44/906312444.db2.gz XLIMTDNHYMYVCQ-OAHLLOKOSA-N 0 3 381.432 3.771 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001173233369 906318485 /nfs/dbraw/zinc/31/84/85/906318485.db2.gz VUZKWLQNGDLDMH-WDYCEAGBSA-N 0 3 389.496 3.857 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000183444342 907390021 /nfs/dbraw/zinc/39/00/21/907390021.db2.gz YCRSISZSXVAVTM-INFVRCAFSA-N 0 3 394.475 3.735 20 5 GHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001175983334 907851067 /nfs/dbraw/zinc/85/10/67/907851067.db2.gz OWQIZNKWBDIODF-AUSJPIAWSA-N 0 3 375.469 3.845 20 5 GHBDHN C[C@@]1(Cc2cccs2)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001176664799 908200970 /nfs/dbraw/zinc/20/09/70/908200970.db2.gz OAMMHLIXJMTRPP-FQEVSTJZSA-N 0 3 385.489 3.643 20 5 GHBDHN CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000775062561 914901225 /nfs/dbraw/zinc/90/12/25/914901225.db2.gz BPSNSDUXMFQLMN-IBGZPJMESA-N 0 3 384.436 3.599 20 5 GHBDHN CN1CC[C@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)C1 ZINC000293962527 916498953 /nfs/dbraw/zinc/49/89/53/916498953.db2.gz UAHYBPPINNJKAM-QFIPXVFZSA-N 0 3 397.425 3.540 20 5 GHBDHN COc1cc(CNCCc2ncccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000295115395 917149608 /nfs/dbraw/zinc/14/96/08/917149608.db2.gz WRETWAMUVFSRLV-UHFFFAOYSA-N 0 3 399.369 3.580 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000421805868 917169395 /nfs/dbraw/zinc/16/93/95/917169395.db2.gz YAUJIOZOCCIOOH-UHFFFAOYSA-N 0 3 397.475 3.593 20 5 GHBDHN O=C(CN[C@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775422653 917695132 /nfs/dbraw/zinc/69/51/32/917695132.db2.gz YDZZMMZOKSMCGB-AUUYWEPGSA-N 0 3 389.839 3.554 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccccc1)C1CCOCC1 ZINC000775443261 917838249 /nfs/dbraw/zinc/83/82/49/917838249.db2.gz ZMKZXLNNBABOQK-OAQYLSRUSA-N 0 3 383.448 3.599 20 5 GHBDHN CC(C)CN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000114383661 919390492 /nfs/dbraw/zinc/39/04/92/919390492.db2.gz KLYOWOLISGASLZ-AWEZNQCLSA-N 0 3 397.903 3.594 20 5 GHBDHN COc1ccccc1[C@H]1CCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117338752 919538448 /nfs/dbraw/zinc/53/84/48/919538448.db2.gz NTYSDMOFLAZSNL-QGZVFWFLSA-N 0 3 397.431 3.739 20 5 GHBDHN CSc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000010050369 923776733 /nfs/dbraw/zinc/77/67/33/923776733.db2.gz HVFMCXOCQUUEFF-SFHVURJKSA-N 0 3 385.489 3.884 20 5 GHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000410053910 925282347 /nfs/dbraw/zinc/28/23/47/925282347.db2.gz OQICALSZXMHVSP-KRWDZBQOSA-N 0 3 387.505 3.859 20 5 GHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000410049092 925285836 /nfs/dbraw/zinc/28/58/36/925285836.db2.gz MSWVOUPHTDTAAL-NRFANRHFSA-N 0 3 395.503 3.727 20 5 GHBDHN COc1ccc(NC(=O)CCN2CC[C@@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411294544 926280202 /nfs/dbraw/zinc/28/02/02/926280202.db2.gz IFDMOTJZAFAXFP-KDOFPFPSSA-N 0 3 387.436 3.998 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000749684396 927237010 /nfs/dbraw/zinc/23/70/10/927237010.db2.gz BWDXJOOWZJKLJU-LJQANCHMSA-N 0 3 383.379 3.744 20 5 GHBDHN Cc1nn(CN2CCCC[C@H]2Cc2ccc(F)cc2)c2ncc([N+](=O)[O-])cc12 ZINC000749952104 927369232 /nfs/dbraw/zinc/36/92/32/927369232.db2.gz SYQBNBFBSHMSAE-KRWDZBQOSA-N 0 3 383.427 3.842 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000752347915 928782142 /nfs/dbraw/zinc/78/21/42/928782142.db2.gz OYHLUOUTUNLFST-LJQANCHMSA-N 0 3 382.416 3.802 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470149364 930408350 /nfs/dbraw/zinc/40/83/50/930408350.db2.gz QQYCAILOQKUEHI-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000783608674 931594855 /nfs/dbraw/zinc/59/48/55/931594855.db2.gz HXBZDKWRJQPVFY-OAHLLOKOSA-N 0 3 390.745 3.970 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000557955348 931773248 /nfs/dbraw/zinc/77/32/48/931773248.db2.gz DHIRBKFXZSYUHM-JXFKEZNVSA-N 0 3 387.455 3.722 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000784504969 931916333 /nfs/dbraw/zinc/91/63/33/931916333.db2.gz KXZDYCSFIBFISN-KBAYOESNSA-N 0 3 375.469 3.720 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000784512946 931920520 /nfs/dbraw/zinc/92/05/20/931920520.db2.gz WWDLSQAPYJLWCO-USXIJHARSA-N 0 3 375.469 3.720 20 5 GHBDHN COC(=O)c1cccc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000558417668 931991922 /nfs/dbraw/zinc/99/19/22/931991922.db2.gz HGFMHUTZVICMJS-UHFFFAOYSA-N 0 3 383.448 3.766 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000797090007 932178323 /nfs/dbraw/zinc/17/83/23/932178323.db2.gz WQVSJDKHAAWDLF-VDUMAWNISA-N 0 3 377.444 3.751 20 5 GHBDHN CN1CCN(CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000799325553 932950557 /nfs/dbraw/zinc/95/05/57/932950557.db2.gz FRQHLLLHSWYFJJ-UHFFFAOYSA-N 0 3 394.825 3.705 20 5 GHBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000560180664 933114581 /nfs/dbraw/zinc/11/45/81/933114581.db2.gz IXBRZBPZHOUDGL-CXAGYDPISA-N 0 3 376.840 3.758 20 5 GHBDHN COc1ccc(NC(=O)CCNC2(c3ccccc3OC)CCC2)c([N+](=O)[O-])c1 ZINC001117993788 934073798 /nfs/dbraw/zinc/07/37/98/934073798.db2.gz CCCSUFSSTHNHHO-UHFFFAOYSA-N 0 3 399.447 3.610 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)c1cccc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000828807206 935715694 /nfs/dbraw/zinc/71/56/94/935715694.db2.gz KITMLFWIISLTBI-SFHLNBCPSA-N 0 3 388.439 3.573 20 5 GHBDHN Cc1ccc([C@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532221055 1014561571 /nfs/dbraw/zinc/56/15/71/1014561571.db2.gz JRIDJXJMSXPEBE-RXVVDRJESA-N 0 3 382.508 3.543 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CN(Cc3ccccc3)CC[C@H]2C)c1 ZINC001227046202 1032251596 /nfs/dbraw/zinc/25/15/96/1032251596.db2.gz GFKXZHNTRBVUOY-QRWLVFNGSA-N 0 3 384.432 3.671 20 5 GHBDHN O=[N+]([O-])c1ccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c([N+](=O)[O-])c1 ZINC001227466132 1032430973 /nfs/dbraw/zinc/43/09/73/1032430973.db2.gz LGHMNHNNYAGYAX-IGOJGBNBSA-N 0 3 383.404 3.792 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000558884008 1017309426 /nfs/dbraw/zinc/30/94/26/1017309426.db2.gz ZXIDIXHHUSUACQ-NRFANRHFSA-N 0 3 396.491 3.616 20 5 GHBDHN CCOc1cc(CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)ccc1[N+](=O)[O-] ZINC000933070418 1018830238 /nfs/dbraw/zinc/83/02/38/1018830238.db2.gz OCVSPFZTXCZORZ-IBGZPJMESA-N 0 3 398.459 3.844 20 5 GHBDHN CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000569744256 1019508472 /nfs/dbraw/zinc/50/84/72/1019508472.db2.gz BBMPRYOYARUYQM-CYBMUJFWSA-N 0 3 388.411 3.984 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155705088 1019534084 /nfs/dbraw/zinc/53/40/84/1019534084.db2.gz ITXVIZUQZWJVAH-UHFFFAOYSA-N 0 3 398.419 3.805 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000754063563 1022453563 /nfs/dbraw/zinc/45/35/63/1022453563.db2.gz KETHRXSNNDNONN-QGUORLBXSA-N 0 3 379.460 3.951 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000755118024 1023082278 /nfs/dbraw/zinc/08/22/78/1023082278.db2.gz GLDYVOSKBDGAHS-UYSIFFEZSA-N 0 3 389.839 3.730 20 5 GHBDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756995595 1023902074 /nfs/dbraw/zinc/90/20/74/1023902074.db2.gz BPBYCFQEPADFGZ-UHFFFAOYSA-N 0 3 387.823 3.986 20 5 GHBDHN COC(=O)c1c(O[C@H]2CN(Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001229046544 1033247452 /nfs/dbraw/zinc/24/74/52/1033247452.db2.gz SZKAFRIGUFSNES-BEFAXECRSA-N 0 3 384.432 3.671 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1Cl ZINC000839300451 1025787442 /nfs/dbraw/zinc/78/74/42/1025787442.db2.gz BTMKNCQKNZQNLU-ZDUSSCGKSA-N 0 3 389.839 3.526 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000839301636 1025789272 /nfs/dbraw/zinc/78/92/72/1025789272.db2.gz LSNLJUKVUKLXAE-CYBMUJFWSA-N 0 3 389.839 3.526 20 5 GHBDHN CC(C)(C)N1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165091422 1026601341 /nfs/dbraw/zinc/60/13/41/1026601341.db2.gz SQPDLWVATKGUQT-UHFFFAOYSA-N 0 3 375.860 3.626 20 5 GHBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)n1 ZINC001165183756 1026652851 /nfs/dbraw/zinc/65/28/51/1026652851.db2.gz SEEFRVDOOSGBSY-XJKSGUPXSA-N 0 3 389.887 3.693 20 5 GHBDHN CC(C)[C@H](CNCc1c(Br)cccc1[N+](=O)[O-])c1ccnn1C ZINC001461430640 1069546137 /nfs/dbraw/zinc/54/61/37/1069546137.db2.gz FHZKTIDSKGHHSX-LBPRGKRZSA-N 0 3 381.274 3.620 20 5 GHBDHN O=C(NC[C@H]1CCCCN1C1CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216140774 1029540393 /nfs/dbraw/zinc/54/03/93/1029540393.db2.gz IGCKIWNYHUYSOO-CYBMUJFWSA-N 0 3 386.374 3.752 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000842901608 1029671661 /nfs/dbraw/zinc/67/16/61/1029671661.db2.gz MSNFZGDOZBCWOV-CABCVRRESA-N 0 3 398.463 3.935 20 5 GHBDHN COC(=O)c1cccc(CO[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001223662311 1030693075 /nfs/dbraw/zinc/69/30/75/1030693075.db2.gz GHJUDEUFYNLJDA-GOSISDBHSA-N 0 3 384.432 3.563 20 5 GHBDHN N[C@@]1(C(=O)Nc2cc3cccnc3c3ncccc23)CCc2cc(F)ccc2C1 ZINC001218979839 1031191867 /nfs/dbraw/zinc/19/18/67/1031191867.db2.gz ILTOYIBMWYPJIW-QHCPKHFHSA-N 0 3 386.430 3.747 20 5 GHBDHN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001229233003 1033357161 /nfs/dbraw/zinc/35/71/61/1033357161.db2.gz PMVFZHLUUWHTDV-ITGUQSILSA-N 0 3 383.242 3.564 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC001206062569 1033705406 /nfs/dbraw/zinc/70/54/06/1033705406.db2.gz BGYPZTSFNPWPJS-FUHWJXTLSA-N 0 3 380.366 3.869 20 5 GHBDHN CCCC(=O)Nc1c(O[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001231358237 1034535656 /nfs/dbraw/zinc/53/56/56/1034535656.db2.gz CKSDLSGGHQECAI-KRWDZBQOSA-N 0 3 383.448 3.987 20 5 GHBDHN CCC(CC)Nc1ccncc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001159873338 1034770755 /nfs/dbraw/zinc/77/07/55/1034770755.db2.gz ZKVRQPWMFJVRQM-UHFFFAOYSA-N 0 3 378.379 3.743 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001462052321 1069968881 /nfs/dbraw/zinc/96/88/81/1069968881.db2.gz LUEGJPXIORJXFQ-KBPBESRZSA-N 0 3 387.484 3.923 20 5 GHBDHN O=[N+]([O-])c1cccc2ccc(OC[C@@H]3CN(Cc4ccccc4)CCCO3)nc21 ZINC001233837197 1039655990 /nfs/dbraw/zinc/65/59/90/1039655990.db2.gz XHSUVKJAFCZIEB-IBGZPJMESA-N 0 3 393.443 3.813 20 5 GHBDHN COC(=O)c1ccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001234052476 1039786167 /nfs/dbraw/zinc/78/61/67/1039786167.db2.gz TUJMXRXHEOOCIF-LFUKPOHLSA-N 0 3 396.443 3.671 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N(C)C(=O)c2ccccc2)CC1 ZINC001254569991 1040346192 /nfs/dbraw/zinc/34/61/92/1040346192.db2.gz LRYXTQAMFZKCQD-KRWDZBQOSA-N 0 3 381.476 3.762 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001254570926 1040347918 /nfs/dbraw/zinc/34/79/18/1040347918.db2.gz QRHCXVYIOSWRMD-MGPUTAFESA-N 0 3 377.485 3.763 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC[C@@]12CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594575 1040367121 /nfs/dbraw/zinc/36/71/21/1040367121.db2.gz RRQMRPAYBATTGS-RXVVDRJESA-N 0 3 387.480 3.537 20 5 GHBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001293328512 1044117103 /nfs/dbraw/zinc/11/71/03/1044117103.db2.gz PICAOBYOSHAKLS-IBGZPJMESA-N 0 3 396.491 3.811 20 5 GHBDHN COc1c(O)ccc(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001262356261 1046246592 /nfs/dbraw/zinc/24/65/92/1046246592.db2.gz WNSSJWXGWJYFMZ-FXAWDEMLSA-N 0 3 386.448 3.909 20 5 GHBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)CCCC2 ZINC000609450970 1047426724 /nfs/dbraw/zinc/42/67/24/1047426724.db2.gz FEGBQCXQOYROKB-BTYIYWSLSA-N 0 3 379.460 3.930 20 5 GHBDHN COc1cccc([C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])N2CCCC2)c1 ZINC001306912322 1048957186 /nfs/dbraw/zinc/95/71/86/1048957186.db2.gz HXTUNKJSMDAHQQ-FQEVSTJZSA-N 0 3 392.459 3.823 20 5 GHBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001307514064 1049356476 /nfs/dbraw/zinc/35/64/76/1049356476.db2.gz PODNJLSCOBBLEG-CQSZACIVSA-N 0 3 399.278 3.950 20 5 GHBDHN CC[C@@](C)(COc1ncccc1Cl)NCc1cc([N+](=O)[O-])ccc1OC ZINC001307591975 1049430914 /nfs/dbraw/zinc/43/09/14/1049430914.db2.gz IRLYAAHEZYHZDT-SFHVURJKSA-N 0 3 379.844 3.989 20 5 GHBDHN O=C(NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccccc1 ZINC001308012925 1049762199 /nfs/dbraw/zinc/76/21/99/1049762199.db2.gz GMOXJVTZRIEQAM-UHFFFAOYSA-N 0 3 383.448 3.528 20 5 GHBDHN O=C(CCN[C@@H]1CC2(CCC2)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC001308064913 1049812380 /nfs/dbraw/zinc/81/23/80/1049812380.db2.gz JFWYPUFLRJEDQG-GOSISDBHSA-N 0 3 381.432 3.960 20 5 GHBDHN C[C@@H]1COC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001308531321 1050000312 /nfs/dbraw/zinc/00/03/12/1050000312.db2.gz SUSBJKKJWAEKDE-MEBBXXQBSA-N 0 3 381.226 3.742 20 5 GHBDHN CO[C@](C)(CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C1CC1 ZINC001308619066 1050035551 /nfs/dbraw/zinc/03/55/51/1050035551.db2.gz NPCIRNVQGCDCIW-QGZVFWFLSA-N 0 3 387.402 3.551 20 5 GHBDHN CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCC(=O)N(C)C1 ZINC001329531531 1050830754 /nfs/dbraw/zinc/83/07/54/1050830754.db2.gz USJIGIUCKLVYLV-ZDUSSCGKSA-N 0 3 377.828 3.561 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001310945760 1051723666 /nfs/dbraw/zinc/72/36/66/1051723666.db2.gz XUKOUVLZZKUBKR-QAPCUYQASA-N 0 3 398.463 3.636 20 5 GHBDHN Cc1ccc(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001313155822 1052971718 /nfs/dbraw/zinc/97/17/18/1052971718.db2.gz LIBCUTMGKUGQMH-KRWDZBQOSA-N 0 3 390.871 3.659 20 5 GHBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000848551613 1057174247 /nfs/dbraw/zinc/17/42/47/1057174247.db2.gz RBVRGZGHKTUDBT-IFXJQAMLSA-N 0 3 380.448 3.853 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC2(CO)CCSCC2)o1 ZINC001324710435 1057209125 /nfs/dbraw/zinc/20/91/25/1057209125.db2.gz LHQPMDBUKNBJCL-UHFFFAOYSA-N 0 3 382.869 3.856 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001454409358 1061768485 /nfs/dbraw/zinc/76/84/85/1061768485.db2.gz VJIDXFTZLLZHPD-DNVCBOLYSA-N 0 3 392.459 3.717 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1Cl ZINC001456055582 1062449399 /nfs/dbraw/zinc/44/93/99/1062449399.db2.gz KGUGDOWMXSJOQN-UHFFFAOYSA-N 0 3 393.846 3.900 20 5 GHBDHN CC(C)N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001437030137 1063744842 /nfs/dbraw/zinc/74/48/42/1063744842.db2.gz NUYAWNFQIQPQKN-FQEVSTJZSA-N 0 3 399.466 3.788 20 5 GHBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001438561836 1064069435 /nfs/dbraw/zinc/06/94/35/1064069435.db2.gz BWIXNPFCLOYNOI-QGZVFWFLSA-N 0 3 385.439 3.827 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001438981390 1064152625 /nfs/dbraw/zinc/15/26/25/1064152625.db2.gz IKAXXDIEPOWSLR-IBGZPJMESA-N 0 3 397.475 3.730 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)o1 ZINC001460035929 1064364435 /nfs/dbraw/zinc/36/44/35/1064364435.db2.gz BGGYKAMKVFXJEO-KYJSFNMBSA-N 0 3 386.452 3.550 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001466375413 1066120780 /nfs/dbraw/zinc/12/07/80/1066120780.db2.gz AWCLFJBDVSFJCQ-IBGZPJMESA-N 0 3 398.463 3.952 20 5 GHBDHN O=[N+]([O-])c1cc2c(nc1NC[C@H]1CN(Cc3ccccc3)CCCO1)CCCC2 ZINC001472756167 1073651623 /nfs/dbraw/zinc/65/16/23/1073651623.db2.gz AVSNFVNYTKQHCN-IBGZPJMESA-N 0 3 396.491 3.572 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)N(C)C[C@@H]2C)cc1OC ZINC001473290030 1073908878 /nfs/dbraw/zinc/90/88/78/1073908878.db2.gz SZAUFNNQKJNENU-JYJNAYRXSA-N 0 3 379.501 3.553 20 5 GHBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001473843323 1074170220 /nfs/dbraw/zinc/17/02/20/1074170220.db2.gz BGFXPPLSHGYOOI-INIZCTEOSA-N 0 3 376.254 3.959 20 5 GHBDHN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)[C@@H]1C ZINC001473880799 1074189152 /nfs/dbraw/zinc/18/91/52/1074189152.db2.gz BXPWLBMOKTXQHQ-DEXNDLTESA-N 0 3 378.469 3.792 20 5 GHBDHN COc1ccc(CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2)cc1[N+](=O)[O-] ZINC001474229727 1074301378 /nfs/dbraw/zinc/30/13/78/1074301378.db2.gz AXGMMCHZUXHQPW-CQSZACIVSA-N 0 3 379.819 3.764 20 5 GHBDHN O=[N+]([O-])c1sc(CNCCc2ccc3c(c2)CCO3)cc1Br ZINC001474440931 1074408094 /nfs/dbraw/zinc/40/80/94/1074408094.db2.gz AAIWKUZGTUXQDS-UHFFFAOYSA-N 0 3 383.267 3.686 20 5 GHBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001476325351 1075125408 /nfs/dbraw/zinc/12/54/08/1075125408.db2.gz QZWQEOGYTILNBB-CQSZACIVSA-N 0 3 388.390 3.856 20 5 GHBDHN COc1ccc(C[C@](C)(CO)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC001620624471 1126241607 /nfs/dbraw/zinc/24/16/07/1126241607.db2.gz YHPBIVPOFXOXRK-GOSISDBHSA-N 0 3 399.274 3.994 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825127519 608493270 /nfs/dbraw/zinc/49/32/70/608493270.db2.gz NFANBYAHDRYGBB-CZUORRHYSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825127519 608493271 /nfs/dbraw/zinc/49/32/71/608493271.db2.gz NFANBYAHDRYGBB-CZUORRHYSA-N 0 3 398.492 3.996 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000431780548 837468538 /nfs/dbraw/zinc/46/85/38/837468538.db2.gz GANQHORHHNVTDM-IBGZPJMESA-N 0 3 384.480 3.740 20 5 GHBDHN Cn1c(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc2cc(Cl)ccc21 ZINC000581231208 837486203 /nfs/dbraw/zinc/48/62/03/837486203.db2.gz YTYMTGFZCNNNJC-XJKSGUPXSA-N 0 3 388.859 3.605 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000581965959 837756646 /nfs/dbraw/zinc/75/66/46/837756646.db2.gz FLTFXRYQUSYDCD-KUHUBIRLSA-N 0 3 387.505 3.839 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000430209451 835118832 /nfs/dbraw/zinc/11/88/32/835118832.db2.gz XXIHPOSPOQGTKJ-SFHVURJKSA-N 0 3 380.448 3.926 20 5 GHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Br)cs1 ZINC000052847952 835711663 /nfs/dbraw/zinc/71/16/63/835711663.db2.gz PLMPQETVYZBWNC-UHFFFAOYSA-N 0 3 398.282 3.879 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179462006 835716572 /nfs/dbraw/zinc/71/65/72/835716572.db2.gz AWSQIWZLADZYGC-NHCUHLMSSA-N 0 3 396.491 3.960 20 5 GHBDHN CS(=O)(=O)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCC1 ZINC000513017074 844098389 /nfs/dbraw/zinc/09/83/89/844098389.db2.gz NHSAXHJVZODCFE-UHFFFAOYSA-N 0 3 394.518 3.770 20 5 GHBDHN CC(C)c1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000584313548 835872364 /nfs/dbraw/zinc/87/23/64/835872364.db2.gz VOUMWCDBMGANKA-UHFFFAOYSA-N 0 3 384.480 3.707 20 5 GHBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1=CCN(C)CC1 ZINC000511375386 836743552 /nfs/dbraw/zinc/74/35/52/836743552.db2.gz BTODHRLJNHQMSC-OAHLLOKOSA-N 0 3 381.432 3.767 20 5 GHBDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000431697912 836909165 /nfs/dbraw/zinc/90/91/65/836909165.db2.gz JYZWEBSBXSKFFW-AZUAARDMSA-N 0 3 382.420 3.517 20 5 GHBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)c2ccccc2)cc1SC ZINC000103003532 838292561 /nfs/dbraw/zinc/29/25/61/838292561.db2.gz NJYIDEXGNXMXJE-UHFFFAOYSA-N 0 3 389.477 3.534 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189624162 838331236 /nfs/dbraw/zinc/33/12/36/838331236.db2.gz ZMFUVQGGKVBZKI-ABAIWWIYSA-N 0 3 398.328 3.769 20 5 GHBDHN COc1cc(CN[C@H]2CS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414497017 838594725 /nfs/dbraw/zinc/59/47/25/838594725.db2.gz FDLKTDMBDQACGA-MWLCHTKSSA-N 0 3 380.388 3.528 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3NCCc4ccccc43)cs2)c1 ZINC000414950717 839013093 /nfs/dbraw/zinc/01/30/93/839013093.db2.gz FVOBXCIMIRGANV-LJQANCHMSA-N 0 3 380.473 3.695 20 5 GHBDHN Cc1c(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000549192630 839247730 /nfs/dbraw/zinc/24/77/30/839247730.db2.gz XBSDMNIQKXPYTM-MRXNPFEDSA-N 0 3 376.844 3.981 20 5 GHBDHN COc1cc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000511763454 840677188 /nfs/dbraw/zinc/67/71/88/840677188.db2.gz SPQJBEWDNLOLRQ-ZHALLVOQSA-N 0 3 386.423 3.747 20 5 GHBDHN CS(=O)(=O)Cc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417306446 840701702 /nfs/dbraw/zinc/70/17/02/840701702.db2.gz AGNSEGOKKKIEBM-HXUWFJFHSA-N 0 3 388.489 3.697 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CS(=O)(=O)c3ccccc31)CCCC2 ZINC000417353085 840758662 /nfs/dbraw/zinc/75/86/62/840758662.db2.gz WKDHGFDKYLYWRG-HNAYVOBHSA-N 0 3 386.473 3.523 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126419440 841052953 /nfs/dbraw/zinc/05/29/53/841052953.db2.gz JNDDUKZXWBPEJU-JTDSTZFVSA-N 0 3 382.464 3.618 20 5 GHBDHN COCc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000107715268 841434149 /nfs/dbraw/zinc/43/41/49/841434149.db2.gz BVIACFHKYVNAIV-UHFFFAOYSA-N 0 3 384.411 3.571 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000432331358 842030858 /nfs/dbraw/zinc/03/08/58/842030858.db2.gz MDNWECLKWXQHEI-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCN(c2ccccc2)CC1 ZINC000603854464 861277526 /nfs/dbraw/zinc/27/75/26/861277526.db2.gz ZDADACQSZCWLKY-QGZVFWFLSA-N 0 3 391.475 3.766 20 5 GHBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)COCc1ccccc1 ZINC000511937004 842490899 /nfs/dbraw/zinc/49/08/99/842490899.db2.gz CROLDAUSXQJDML-GOSISDBHSA-N 0 3 396.443 3.864 20 5 GHBDHN Cc1ccccc1C(=O)NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055903016 861350695 /nfs/dbraw/zinc/35/06/95/861350695.db2.gz VKPDXWYRGBZCIV-UHFFFAOYSA-N 0 3 397.475 3.567 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000500457279 843482561 /nfs/dbraw/zinc/48/25/61/843482561.db2.gz OPWNZAMCBBZTBZ-CQSZACIVSA-N 0 3 397.258 3.920 20 5 GHBDHN CC1(C)C[C@H](NCCN2CCc3ccccc3C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433067321 845152718 /nfs/dbraw/zinc/15/27/18/845152718.db2.gz KHIWMRHXJRUNPW-FQEVSTJZSA-N 0 3 379.460 3.605 20 5 GHBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000509787756 845419529 /nfs/dbraw/zinc/41/95/29/845419529.db2.gz OGOFAKXUTBDVIG-ZDUSSCGKSA-N 0 3 376.384 3.767 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000934194495 845742899 /nfs/dbraw/zinc/74/28/99/845742899.db2.gz GCSRWRWRNJQYES-VXKWHMMOSA-N 0 3 393.487 3.821 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000157603786 846017124 /nfs/dbraw/zinc/01/71/24/846017124.db2.gz ZYGRIPGSDXVNLC-KDOFPFPSSA-N 0 3 387.386 3.630 20 5 GHBDHN COc1ccc(OCCN[C@H](C)c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000539245444 846040636 /nfs/dbraw/zinc/04/06/36/846040636.db2.gz BNASEPLWOOLXKO-GFCCVEGCSA-N 0 3 382.363 3.934 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502560562 846205110 /nfs/dbraw/zinc/20/51/10/846205110.db2.gz RAQCPJGLVYKKEZ-LJQANCHMSA-N 0 3 376.840 3.748 20 5 GHBDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000501050828 846577896 /nfs/dbraw/zinc/57/78/96/846577896.db2.gz HTLRLHBSXKACHA-GJZGRUSLSA-N 0 3 383.448 3.940 20 5 GHBDHN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475004891 861780170 /nfs/dbraw/zinc/78/01/70/861780170.db2.gz XAGMAFPIEHDIAQ-GOSISDBHSA-N 0 3 398.463 3.732 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000511141979 847421031 /nfs/dbraw/zinc/42/10/31/847421031.db2.gz XXOLNXAMEDQKGA-HNNXBMFYSA-N 0 3 399.274 3.816 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCOC[C@@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000277666942 847491559 /nfs/dbraw/zinc/49/15/59/847491559.db2.gz FXGNFQUDKLNGKW-XAUMDUMWSA-N 0 3 383.448 3.598 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)c1ccc(Br)cc1 ZINC000503247317 847515768 /nfs/dbraw/zinc/51/57/68/847515768.db2.gz RQUUPTYKGJNHKI-OICCZTGUSA-N 0 3 377.238 3.694 20 5 GHBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000472234862 847839164 /nfs/dbraw/zinc/83/91/64/847839164.db2.gz UBGNDLCWZUGFHL-AWEZNQCLSA-N 0 3 397.298 3.723 20 5 GHBDHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)CN1Cc1ccccc1 ZINC000611713206 848269229 /nfs/dbraw/zinc/26/92/29/848269229.db2.gz ZXRHDVBGECAKQX-HZPDHXFCSA-N 0 3 377.448 3.637 20 5 GHBDHN Cc1c([C@@H](C)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000162951022 849739105 /nfs/dbraw/zinc/73/91/05/849739105.db2.gz OZDXUDDWQIHQHS-HZPDHXFCSA-N 0 3 397.475 3.972 20 5 GHBDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602563655 862067406 /nfs/dbraw/zinc/06/74/06/862067406.db2.gz FSZCAPHSRXOWCK-VUVYZSTRSA-N 0 3 395.344 3.588 20 5 GHBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426554627 850718408 /nfs/dbraw/zinc/71/84/08/850718408.db2.gz WPZCGPKRDZJXII-INIZCTEOSA-N 0 3 385.464 3.540 20 5 GHBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)[C@@H]2C1 ZINC000425060767 850901146 /nfs/dbraw/zinc/90/11/46/850901146.db2.gz WZJDRNYDAYDXOX-HNAYVOBHSA-N 0 3 381.432 3.553 20 5 GHBDHN C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCC[C@H]1C ZINC000436102071 851199923 /nfs/dbraw/zinc/19/99/23/851199923.db2.gz PUOFUNAMUJQIMW-CVEARBPZSA-N 0 3 377.488 3.674 20 5 GHBDHN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](C)C1 ZINC000436113437 851241305 /nfs/dbraw/zinc/24/13/05/851241305.db2.gz YVSDYONLNTYTSF-HUUCEWRRSA-N 0 3 395.478 3.671 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000488577198 851625949 /nfs/dbraw/zinc/62/59/49/851625949.db2.gz WRIAOAOTHMXCQV-IBGZPJMESA-N 0 3 384.480 3.740 20 5 GHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515963297 851988860 /nfs/dbraw/zinc/98/88/60/851988860.db2.gz LOTOHXSPIRMNKM-IERDGZPVSA-N 0 3 397.475 3.660 20 5 GHBDHN CC(C)(CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCCC1 ZINC000555979300 862350440 /nfs/dbraw/zinc/35/04/40/862350440.db2.gz GYPXHAMYWHDLPZ-UHFFFAOYSA-N 0 3 377.488 3.676 20 5 GHBDHN O=C(C1CC1)N1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490137767 852787718 /nfs/dbraw/zinc/78/77/18/852787718.db2.gz SCSABHHENIXNRO-OAQYLSRUSA-N 0 3 379.460 3.675 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000439164740 853356153 /nfs/dbraw/zinc/35/61/53/853356153.db2.gz HDKKMUSANXMRHI-UHFFFAOYSA-N 0 3 381.885 3.822 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000490964657 853375940 /nfs/dbraw/zinc/37/59/40/853375940.db2.gz BVHNCRHRGUGZHE-VQIMIIECSA-N 0 3 396.491 3.792 20 5 GHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[C@H](O)C1CC1 ZINC000589197035 854743825 /nfs/dbraw/zinc/74/38/25/854743825.db2.gz UWWWQCQBMOCWAX-INIZCTEOSA-N 0 3 395.253 3.820 20 5 GHBDHN CN(C)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000301473937 855120543 /nfs/dbraw/zinc/12/05/43/855120543.db2.gz MKZQILFTYCQSDD-QGZVFWFLSA-N 0 3 387.827 3.612 20 5 GHBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000301512042 855189764 /nfs/dbraw/zinc/18/97/64/855189764.db2.gz DGTLUMCBXCJJJW-CQSZACIVSA-N 0 3 383.221 3.606 20 5 GHBDHN COc1ccc(OCCN(C)Cc2ccc(SC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000441539010 855596432 /nfs/dbraw/zinc/59/64/32/855596432.db2.gz XQMTWCKXGMFCGL-UHFFFAOYSA-N 0 3 392.477 3.845 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)n2)cc1 ZINC000280976523 862786789 /nfs/dbraw/zinc/78/67/89/862786789.db2.gz KYDOHSHDUHBOPE-KSZLIROESA-N 0 3 386.452 3.550 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000141697898 856485520 /nfs/dbraw/zinc/48/55/20/856485520.db2.gz NQDFLFHCTCSYSF-HXUWFJFHSA-N 0 3 382.464 3.540 20 5 GHBDHN CNc1c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000462929889 856599582 /nfs/dbraw/zinc/59/95/82/856599582.db2.gz YDWIKTAJJDOQCW-LJQANCHMSA-N 0 3 382.464 3.512 20 5 GHBDHN CCN1CCN([C@@H](C)CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000059389351 862882926 /nfs/dbraw/zinc/88/29/26/862882926.db2.gz ZVQWOKIHIXHLND-NSHDSACASA-N 0 3 394.825 3.705 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNc3ccc([C@@H]4CNCCO4)cc3)cs2)c1 ZINC000594738447 858269792 /nfs/dbraw/zinc/26/97/92/858269792.db2.gz DGNKBSSHUCDZSN-IBGZPJMESA-N 0 3 396.472 3.991 20 5 GHBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000121071474 858415989 /nfs/dbraw/zinc/41/59/89/858415989.db2.gz VMQUKOOHPGJRTR-GUYCJALGSA-N 0 3 387.436 3.680 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595234024 858448354 /nfs/dbraw/zinc/44/83/54/858448354.db2.gz DUOHEFMEFDEYLW-FQEVSTJZSA-N 0 3 398.463 3.698 20 5 GHBDHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595257013 858456219 /nfs/dbraw/zinc/45/62/19/858456219.db2.gz GWZMFOGIYFLCCF-MRXNPFEDSA-N 0 3 395.337 3.527 20 5 GHBDHN COCC1(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000595908746 858714806 /nfs/dbraw/zinc/71/48/06/858714806.db2.gz KEBJEZBUPJULFK-UHFFFAOYSA-N 0 3 388.411 3.686 20 5 GHBDHN CC(C)Oc1cc(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC001129251813 858775054 /nfs/dbraw/zinc/77/50/54/858775054.db2.gz VMWCXQVKJXQOMI-SFHVURJKSA-N 0 3 397.475 3.905 20 5 GHBDHN COC(=O)c1ccc(CN[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c(Cl)c1 ZINC001170317900 881347269 /nfs/dbraw/zinc/34/72/69/881347269.db2.gz LVDZKKVVKKIGKV-GFCCVEGCSA-N 0 3 392.839 3.764 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000160437181 858895278 /nfs/dbraw/zinc/89/52/78/858895278.db2.gz FAJDGBOBDFMFBI-PIGZYNQJSA-N 0 3 395.431 3.747 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543639000 859160806 /nfs/dbraw/zinc/16/08/06/859160806.db2.gz WLWBDJPBVJMFSW-UHFFFAOYSA-N 0 3 396.369 3.608 20 5 GHBDHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597224603 859374620 /nfs/dbraw/zinc/37/46/20/859374620.db2.gz MEYXYIIIGUXHON-INIZCTEOSA-N 0 3 388.493 3.511 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611212159 859645248 /nfs/dbraw/zinc/64/52/48/859645248.db2.gz VODSLUFAKLYMDV-SCLBCKFNSA-N 0 3 389.521 3.842 20 5 GHBDHN CC(C)c1ccc(CN2CCC(C(N)=O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000611272246 859675708 /nfs/dbraw/zinc/67/57/08/859675708.db2.gz QFBBFBALSGKTOM-UHFFFAOYSA-N 0 3 381.476 3.737 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000611283765 859681738 /nfs/dbraw/zinc/68/17/38/859681738.db2.gz SMRVROWFLLVPQJ-UHFFFAOYSA-N 0 3 397.475 3.729 20 5 GHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765033065 859740844 /nfs/dbraw/zinc/74/08/44/859740844.db2.gz OBAMMEWKOJLUIC-YWZLYKJASA-N 0 3 375.469 3.989 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H](c2ccccc2C)C(C)C)cc1[N+](=O)[O-] ZINC000474351966 859908328 /nfs/dbraw/zinc/90/83/28/859908328.db2.gz SKQPUXDQAFPHAU-NRFANRHFSA-N 0 3 386.448 3.942 20 5 GHBDHN COc1ccc(CN2CCC[C@H](O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000552146396 860000444 /nfs/dbraw/zinc/00/04/44/860000444.db2.gz FDPTUWHOXWEJRB-IBGZPJMESA-N 0 3 386.448 3.529 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccnc3ccccc32)CC1 ZINC000552148590 860000805 /nfs/dbraw/zinc/00/08/05/860000805.db2.gz VBZAVGCPCQIZDQ-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](c3ccccc3)c3cccnc3)CC2)cn1 ZINC000602535753 860104510 /nfs/dbraw/zinc/10/45/10/860104510.db2.gz RWFUOWLVUFIVTN-JOCHJYFZSA-N 0 3 389.459 3.733 20 5 GHBDHN CN(C)c1cccc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000093845628 860360693 /nfs/dbraw/zinc/36/06/93/860360693.db2.gz NEEAISWSADJELT-UHFFFAOYSA-N 0 3 379.464 3.693 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522873629 863615828 /nfs/dbraw/zinc/61/58/28/863615828.db2.gz JMZKCFUJXFAPNK-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444253237 863760968 /nfs/dbraw/zinc/76/09/68/863760968.db2.gz STXUKWMKERHXTM-SFHVURJKSA-N 0 3 391.515 3.922 20 5 GHBDHN COC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000494489321 881785989 /nfs/dbraw/zinc/78/59/89/881785989.db2.gz CUXPCUYZOBWANA-ACJLOTCBSA-N 0 3 391.855 3.943 20 5 GHBDHN CN1CCC(NC(=S)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000735242619 864682206 /nfs/dbraw/zinc/68/22/06/864682206.db2.gz STPVTYSWWXSWAI-UHFFFAOYSA-N 0 3 386.477 3.768 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000533969779 865039842 /nfs/dbraw/zinc/03/98/42/865039842.db2.gz PWRREXCTXZNFRH-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000555232090 865753122 /nfs/dbraw/zinc/75/31/22/865753122.db2.gz PJVRCUPIZVBHAT-SGTLLEGYSA-N 0 3 393.846 3.910 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000766244595 865835375 /nfs/dbraw/zinc/83/53/75/865835375.db2.gz QVUKQMSQXHRWAR-UHFFFAOYSA-N 0 3 384.480 3.850 20 5 GHBDHN COc1ccc(-c2ccc(CN(CCO)[C@H]3CCCSC3)o2)c([N+](=O)[O-])c1 ZINC000475498624 866038932 /nfs/dbraw/zinc/03/89/32/866038932.db2.gz XOESHQZXFKRDGD-AWEZNQCLSA-N 0 3 392.477 3.553 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000475575134 866386993 /nfs/dbraw/zinc/38/69/93/866386993.db2.gz YZICYTGQLPENMV-APWZRJJASA-N 0 3 382.464 3.854 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000741747168 866751578 /nfs/dbraw/zinc/75/15/78/866751578.db2.gz ODMPYAFLOZYPMZ-AWEZNQCLSA-N 0 3 389.839 3.721 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000440484568 866961124 /nfs/dbraw/zinc/96/11/24/866961124.db2.gz GNOFBACEPGNEKX-CQSZACIVSA-N 0 3 396.369 3.617 20 5 GHBDHN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000553526226 867624484 /nfs/dbraw/zinc/62/44/84/867624484.db2.gz VLOYUWDHDWXZSJ-LBPRGKRZSA-N 0 3 385.386 3.560 20 5 GHBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128283 868769478 /nfs/dbraw/zinc/76/94/78/868769478.db2.gz GUAZSCQOPNJNCY-YDHLFZDLSA-N 0 3 397.928 3.529 20 5 GHBDHN C[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183983144 868859622 /nfs/dbraw/zinc/85/96/22/868859622.db2.gz RZLOCVRBAPLRAA-YJBOKZPZSA-N 0 3 385.439 3.618 20 5 GHBDHN C[C@@H]1CN(CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000491262454 869276787 /nfs/dbraw/zinc/27/67/87/869276787.db2.gz YRMWXGOAUXQXDA-KGVIQGDOSA-N 0 3 383.492 3.773 20 5 GHBDHN CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746390592 870597273 /nfs/dbraw/zinc/59/72/73/870597273.db2.gz MIIHMGWZLVFKEU-SFHVURJKSA-N 0 3 394.475 3.580 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ccccc1 ZINC000538832826 870708121 /nfs/dbraw/zinc/70/81/21/870708121.db2.gz OGEDIONOMUSACO-IBGZPJMESA-N 0 3 390.443 3.690 20 5 GHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2c(Br)cccc2Br)C1 ZINC001168992889 871073019 /nfs/dbraw/zinc/07/30/19/871073019.db2.gz LFVWDPHMQOKDTM-ZJUUUORDSA-N 0 3 392.091 3.747 20 5 GHBDHN CC(C)[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000540427086 871257340 /nfs/dbraw/zinc/25/73/40/871257340.db2.gz OAKDOOPMXHKETB-HNAYVOBHSA-N 0 3 380.391 3.600 20 5 GHBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000181625925 871291809 /nfs/dbraw/zinc/29/18/09/871291809.db2.gz JHYAJIROGXZYIU-INIZCTEOSA-N 0 3 386.471 3.727 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000540589411 871690941 /nfs/dbraw/zinc/69/09/41/871690941.db2.gz VVJWIPCOGYJSTJ-VLIAUNLRSA-N 0 3 383.448 3.980 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462169514 871730690 /nfs/dbraw/zinc/73/06/90/871730690.db2.gz GZEYXDNYMBOOIS-HNAYVOBHSA-N 0 3 399.516 3.957 20 5 GHBDHN Cc1ccc(Sc2ccc(CN[C@H]3CCC(=O)N(C)C3)cc2[N+](=O)[O-])cc1 ZINC000540618021 871737887 /nfs/dbraw/zinc/73/78/87/871737887.db2.gz KPIIPUIGTBEMKE-INIZCTEOSA-N 0 3 385.489 3.765 20 5 GHBDHN Cc1ccc([C@H](CN2CCOCC2)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447520129 871743082 /nfs/dbraw/zinc/74/30/82/871743082.db2.gz IZQADIYNDKDRHF-PKTZIBPZSA-N 0 3 395.503 3.944 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cccnc2OC2CCCC2)n1 ZINC000447529725 871762192 /nfs/dbraw/zinc/76/21/92/871762192.db2.gz KTKIKWPKZKZTGG-MSOLQXFVSA-N 0 3 385.468 3.781 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@@H](CO)[C@H]2CCCO2)cc1 ZINC000447975517 872592550 /nfs/dbraw/zinc/59/25/50/872592550.db2.gz HEEKNNCUEVZCNJ-FUHWJXTLSA-N 0 3 392.839 3.670 20 5 GHBDHN CC[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552577633 872845667 /nfs/dbraw/zinc/84/56/67/872845667.db2.gz APNWYMBCWSAPSW-BJLQDIEVSA-N 0 3 389.402 3.886 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC001196124700 872908999 /nfs/dbraw/zinc/90/89/99/872908999.db2.gz OCGJOUCBMUGJJD-QGTPRVQTSA-N 0 3 389.496 3.946 20 5 GHBDHN CN(C)CCN(Cc1ccco1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183078433 873185650 /nfs/dbraw/zinc/18/56/50/873185650.db2.gz FGKACUMSZKGOSP-UHFFFAOYSA-N 0 3 397.884 3.524 20 5 GHBDHN COc1cc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000464092523 873225639 /nfs/dbraw/zinc/22/56/39/873225639.db2.gz LNVOJTVEZHHKAT-JKSUJKDBSA-N 0 3 388.411 3.887 20 5 GHBDHN CC(C)(C)OC(=O)N[C@H]1CCCCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001196841758 873399136 /nfs/dbraw/zinc/39/91/36/873399136.db2.gz KJGUGAFECFQDKX-KRWDZBQOSA-N 0 3 377.485 3.907 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197558977 873899272 /nfs/dbraw/zinc/89/92/72/873899272.db2.gz ICQRONBRALEDLK-CYBMUJFWSA-N 0 3 376.844 3.890 20 5 GHBDHN CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770005106 874398420 /nfs/dbraw/zinc/39/84/20/874398420.db2.gz YXOLGYQZNGWGAC-UHFFFAOYSA-N 0 3 390.871 3.886 20 5 GHBDHN CC(NC[C@H](O)COc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 ZINC000542254721 875257704 /nfs/dbraw/zinc/25/77/04/875257704.db2.gz UUAODCOLFRTXQG-FQEVSTJZSA-N 0 3 392.455 3.888 20 5 GHBDHN Cc1c(CNCc2ccc(NC(=O)c3ccncc3)cc2)cccc1[N+](=O)[O-] ZINC001199990071 875267554 /nfs/dbraw/zinc/26/75/54/875267554.db2.gz IBDOVIRTYKRHSA-UHFFFAOYSA-N 0 3 376.416 3.840 20 5 GHBDHN COCCN(CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001201834025 875895304 /nfs/dbraw/zinc/89/53/04/875895304.db2.gz XRLOAWNHIZYJSI-UHFFFAOYSA-N 0 3 395.500 3.691 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000450371936 876346273 /nfs/dbraw/zinc/34/62/73/876346273.db2.gz LFAKDNUPXVOXPE-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN Nc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000786573674 876806587 /nfs/dbraw/zinc/80/65/87/876806587.db2.gz CNJTXHZKHBICRL-UHFFFAOYSA-N 0 3 394.397 3.908 20 5 GHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCC1CCN(Cc2ccco2)CC1 ZINC000772691914 877082975 /nfs/dbraw/zinc/08/29/75/877082975.db2.gz QOHTUVNDBFCUNG-UHFFFAOYSA-N 0 3 397.431 3.598 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000787288142 877297589 /nfs/dbraw/zinc/29/75/89/877297589.db2.gz IHCJMTCKNODQCH-UHFFFAOYSA-N 0 3 397.391 3.797 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451306348 877783738 /nfs/dbraw/zinc/78/37/38/877783738.db2.gz MPQUZCNAUHVTGL-HNNXBMFYSA-N 0 3 384.354 3.706 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000152391075 877987472 /nfs/dbraw/zinc/98/74/72/877987472.db2.gz LAZNKIFWWMFEAH-QFIPXVFZSA-N 0 3 378.428 3.997 20 5 GHBDHN C[C@@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788573883 878176391 /nfs/dbraw/zinc/17/63/91/878176391.db2.gz RKYJQLFAICXCSG-CYBMUJFWSA-N 0 3 380.404 3.873 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000531109962 879149174 /nfs/dbraw/zinc/14/91/74/879149174.db2.gz ROTGQTVZYCZSTL-UHFFFAOYSA-N 0 3 379.420 3.948 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000499101354 881102677 /nfs/dbraw/zinc/10/26/77/881102677.db2.gz NZUMGUYTXXXPKO-ZMSDIMECSA-N 0 3 388.468 3.986 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCOC[C@H]2CCOC2)ccc1Oc1ccc(F)cc1 ZINC000609467273 883228205 /nfs/dbraw/zinc/22/82/05/883228205.db2.gz NSKRPRVQPZMSDC-INIZCTEOSA-N 0 3 390.411 3.669 20 5 GHBDHN CC1(C)CC2(CC(NCc3cc(Br)c([N+](=O)[O-])s3)C2)CO1 ZINC000897969887 884517001 /nfs/dbraw/zinc/51/70/01/884517001.db2.gz CTSGHKPEGHLNFO-UHFFFAOYSA-N 0 3 375.288 3.856 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000805275207 885209399 /nfs/dbraw/zinc/20/93/99/885209399.db2.gz BPVRDKKBNKKUCS-MYHKYFONSA-N 0 3 397.475 3.814 20 5 GHBDHN CCCn1ccnc1CCCN(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000762072369 885311576 /nfs/dbraw/zinc/31/15/76/885311576.db2.gz BDVPKURFOOGXCS-UHFFFAOYSA-N 0 3 390.875 3.727 20 5 GHBDHN COc1ccc([C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193344686 885657118 /nfs/dbraw/zinc/65/71/18/885657118.db2.gz BAZWEWWXULGRHL-IBGZPJMESA-N 0 3 389.839 3.936 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000508883058 887092978 /nfs/dbraw/zinc/09/29/78/887092978.db2.gz SUJUATMBXDUCTL-IERDGZPVSA-N 0 3 396.491 3.960 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911059 887932678 /nfs/dbraw/zinc/93/26/78/887932678.db2.gz GEPRBACSKRTVFT-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194061636 887996186 /nfs/dbraw/zinc/99/61/86/887996186.db2.gz CTIRWPVULDKFTL-ZIAGYGMSSA-N 0 3 387.436 3.680 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000809985799 888041814 /nfs/dbraw/zinc/04/18/14/888041814.db2.gz UUVDQBUDWPYUQD-HOTGVXAUSA-N 0 3 388.295 3.635 20 5 GHBDHN COc1ccc(OC)c([C@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000194365140 888272423 /nfs/dbraw/zinc/27/24/23/888272423.db2.gz BPBNZBMBIZGDNQ-AWEZNQCLSA-N 0 3 387.436 3.600 20 5 GHBDHN O=[N+]([O-])c1ccc(CCNCc2ccccc2I)cc1 ZINC000729682029 888475637 /nfs/dbraw/zinc/47/56/37/888475637.db2.gz HAMZGXGZEIAMTJ-UHFFFAOYSA-N 0 3 382.201 3.532 20 5 GHBDHN CCNc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001132390709 888782455 /nfs/dbraw/zinc/78/24/55/888782455.db2.gz NDMMBFZDBJJDAC-IBGZPJMESA-N 0 3 396.491 3.811 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1Br ZINC000796110681 913286264 /nfs/dbraw/zinc/28/62/64/913286264.db2.gz BATKASLKANJESJ-QGZVFWFLSA-N 0 3 379.254 3.565 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094604 890323760 /nfs/dbraw/zinc/32/37/60/890323760.db2.gz OOBGODNVNGXWGP-TXPKVOOTSA-N 0 3 382.464 3.618 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCOc3ccc(Cl)cc3)C2)nc1 ZINC000533516130 890735532 /nfs/dbraw/zinc/73/55/32/890735532.db2.gz CVOXCDUNYBUYLF-OAHLLOKOSA-N 0 3 376.844 3.599 20 5 GHBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000917062338 890890642 /nfs/dbraw/zinc/89/06/42/890890642.db2.gz OSYVXAVXWSPRFP-SFHVURJKSA-N 0 3 394.475 3.564 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000812828377 890984635 /nfs/dbraw/zinc/98/46/35/890984635.db2.gz UNVSYGWGHHLZSP-OAHLLOKOSA-N 0 3 382.247 3.934 20 5 GHBDHN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)N1CCCCC1 ZINC000917090548 891089150 /nfs/dbraw/zinc/08/91/50/891089150.db2.gz XMUZJZNUDSSOKM-QGZVFWFLSA-N 0 3 397.435 3.779 20 5 GHBDHN CC(COC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[N+](=O)[O-] ZINC000813110104 891303836 /nfs/dbraw/zinc/30/38/36/891303836.db2.gz ZJSPKSCHJIBGAW-GHMZBOCLSA-N 0 3 384.841 3.825 20 5 GHBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000813522643 891707147 /nfs/dbraw/zinc/70/71/47/891707147.db2.gz ZDITWGGCQPHYAN-KKSFZXQISA-N 0 3 396.491 3.616 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)CC[C@@H]2C1 ZINC000814676613 893054223 /nfs/dbraw/zinc/05/42/23/893054223.db2.gz VZDIWCXRJVMUEP-CALCHBBNSA-N 0 3 375.469 3.674 20 5 GHBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000288333670 913733783 /nfs/dbraw/zinc/73/37/83/913733783.db2.gz JNVLQNKCAHWKMH-RDJZCZTQSA-N 0 3 375.472 3.792 20 5 GHBDHN CN(Cc1ccccc1)CC(C)(C)NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878298986 894175689 /nfs/dbraw/zinc/17/56/89/894175689.db2.gz OKSOLRNMDJIOKO-UHFFFAOYSA-N 0 3 395.463 3.645 20 5 GHBDHN CSc1ccc([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])N(C)C)cc1 ZINC000565291768 895512114 /nfs/dbraw/zinc/51/21/14/895512114.db2.gz BSBTVLWVUVYPLH-SFHVURJKSA-N 0 3 399.476 3.680 20 5 GHBDHN CC(C)c1nn(-c2ccccc2)cc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819154036 896408997 /nfs/dbraw/zinc/40/89/97/896408997.db2.gz FPVIVTVEBDBORB-FQEVSTJZSA-N 0 3 380.448 3.727 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)c2ccc(F)cc2F)cc(C(F)(F)F)c1 ZINC000819266278 896553301 /nfs/dbraw/zinc/55/33/01/896553301.db2.gz BMGPJAGNTGJBBA-OAHLLOKOSA-N 0 3 376.281 3.715 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CSc3ccc(Br)cc32)cc1 ZINC000819271365 896559097 /nfs/dbraw/zinc/55/90/97/896559097.db2.gz QYTSPWSWRZWODL-LSDHHAIUSA-N 0 3 395.278 3.827 20 5 GHBDHN COc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)c([N+](=O)[O-])cc1OC ZINC000819922834 897051444 /nfs/dbraw/zinc/05/14/44/897051444.db2.gz MLVHHRJHVFXRAV-AWEZNQCLSA-N 0 3 386.452 3.645 20 5 GHBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N(CCN1CCCC1)c1ccccc1 ZINC001136888989 899680117 /nfs/dbraw/zinc/68/01/17/899680117.db2.gz UHRWQWSRZXYTFB-UHFFFAOYSA-N 0 3 385.439 3.796 20 5 GHBDHN CN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000571197631 899777475 /nfs/dbraw/zinc/77/74/75/899777475.db2.gz ZIYSVLLWYYQCFG-GOSISDBHSA-N 0 3 389.402 3.715 20 5 GHBDHN Cc1c(CN2CCC(C(=O)NCCc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000063301190 900947432 /nfs/dbraw/zinc/94/74/32/900947432.db2.gz XCUGAGATZXLFFI-UHFFFAOYSA-N 0 3 387.505 3.536 20 5 GHBDHN COC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000575090006 901116049 /nfs/dbraw/zinc/11/60/49/901116049.db2.gz ILEOLGLMCWAOMA-ACJLOTCBSA-N 0 3 391.855 3.943 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000577018253 902435423 /nfs/dbraw/zinc/43/54/23/902435423.db2.gz RDOWHUZYDCJCPB-CJNGLKHVSA-N 0 3 382.420 3.595 20 5 GHBDHN COc1ccc(/C=C/C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845873619 902475408 /nfs/dbraw/zinc/47/54/08/902475408.db2.gz VKVAMEIAFQFNQM-QNDIHXIYSA-N 0 3 389.379 3.806 20 5 GHBDHN CC([C@H](OC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872974 902476709 /nfs/dbraw/zinc/47/67/09/902476709.db2.gz AZGUXJKBWXZOTO-WBMJQRKESA-N 0 3 398.431 3.769 20 5 GHBDHN CCOc1ccccc1OCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873240 902476808 /nfs/dbraw/zinc/47/68/08/902476808.db2.gz SGOXLENCKRUNEN-YJYMSZOUSA-N 0 3 377.368 3.553 20 5 GHBDHN CC1=NN(c2ccc(C(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])cc2)CC1 ZINC000845874993 902479710 /nfs/dbraw/zinc/47/97/10/902479710.db2.gz KLRXODFXHZDPGA-KUHUBIRLSA-N 0 3 385.395 3.975 20 5 GHBDHN CC([C@@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1F)[N+](=O)[O-] ZINC000845875152 902479773 /nfs/dbraw/zinc/47/97/73/902479773.db2.gz KJJKJABHQVBLFW-RIEGTJTDSA-N 0 3 380.397 3.697 20 5 GHBDHN CN(C(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000577869338 903289399 /nfs/dbraw/zinc/28/93/99/903289399.db2.gz FVLUTHQOMCYGEP-HXUWFJFHSA-N 0 3 399.516 3.955 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000801551133 921124740 /nfs/dbraw/zinc/12/47/40/921124740.db2.gz OFTADANDTRZHOY-MRXNPFEDSA-N 0 3 381.448 3.907 20 5 GHBDHN C[C@@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000801571688 921142152 /nfs/dbraw/zinc/14/21/52/921142152.db2.gz ZNEBYUJZQOPWEL-TZMCWYRMSA-N 0 3 389.839 3.559 20 5 GHBDHN COc1cccc(CN2CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172918734 905988107 /nfs/dbraw/zinc/98/81/07/905988107.db2.gz CELRTGONYDAEFA-NRFANRHFSA-N 0 3 395.503 3.669 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](CO)c2ccc(Cl)cc2)c1F ZINC001173186339 906267348 /nfs/dbraw/zinc/26/73/48/906267348.db2.gz REKDWSGWSXZMLG-NHYWBVRUSA-N 0 3 382.819 3.650 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)c1F ZINC001173193820 906276837 /nfs/dbraw/zinc/27/68/37/906276837.db2.gz QZCUYCGTHCLEAG-UWWQBHOKSA-N 0 3 397.466 3.572 20 5 GHBDHN COC(=O)c1cccc(CN(C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173193481 906277638 /nfs/dbraw/zinc/27/76/38/906277638.db2.gz SNCVCWJZUCPLFN-ZDUSSCGKSA-N 0 3 390.411 3.592 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178646706 906366548 /nfs/dbraw/zinc/36/65/48/906366548.db2.gz KYWVACSPBMQLEP-LSDHHAIUSA-N 0 3 383.448 3.664 20 5 GHBDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180649791 906810022 /nfs/dbraw/zinc/81/00/22/906810022.db2.gz MHYGTIWNVGKMQS-OXJNMPFZSA-N 0 3 396.447 3.534 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CCC(O)(c3cccnc3)CC2)c1 ZINC000185700295 907816502 /nfs/dbraw/zinc/81/65/02/907816502.db2.gz WEQGOLBXHLNMKJ-UHFFFAOYSA-N 0 3 393.390 3.511 20 5 GHBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000192776053 907891383 /nfs/dbraw/zinc/89/13/83/907891383.db2.gz BYPIBWMJTQJCMM-CQSZACIVSA-N 0 3 385.390 3.853 20 5 GHBDHN C[C@@H](NCc1ccc(CN(C)C)c2c1OC(F)(F)O2)c1ccc([N+](=O)[O-])cc1 ZINC001179574613 909584335 /nfs/dbraw/zinc/58/43/35/909584335.db2.gz CQWYRBKIEZQFCT-GFCCVEGCSA-N 0 3 393.390 3.829 20 5 GHBDHN COC[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)c(F)c1 ZINC000774472675 911780057 /nfs/dbraw/zinc/78/00/57/911780057.db2.gz NFQMVSVXZYQUHY-FQEVSTJZSA-N 0 3 391.418 3.819 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284812747 912040136 /nfs/dbraw/zinc/04/01/36/912040136.db2.gz PHSVQVJZKLKZIL-SJORKVTESA-N 0 3 392.253 3.527 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000802008673 921744848 /nfs/dbraw/zinc/74/48/48/921744848.db2.gz NJIKVUDPGWUGFG-HXUWFJFHSA-N 0 3 375.469 3.818 20 5 GHBDHN CC(C)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291675817 915314059 /nfs/dbraw/zinc/31/40/59/915314059.db2.gz RPIMEPZLGNDFKM-UHFFFAOYSA-N 0 3 398.301 3.550 20 5 GHBDHN CC(C)CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291736575 915341238 /nfs/dbraw/zinc/34/12/38/915341238.db2.gz XIIROTIHBQDNCG-UHFFFAOYSA-N 0 3 387.402 3.806 20 5 GHBDHN CCOc1ccc([C@@H](C)NCc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000293780712 916378858 /nfs/dbraw/zinc/37/88/58/916378858.db2.gz SXNFOEKWGUMGFE-MRXNPFEDSA-N 0 3 385.464 3.681 20 5 GHBDHN CC(C)n1ncc2c1[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000368155363 922507057 /nfs/dbraw/zinc/50/70/57/922507057.db2.gz ZXAPHDMLDRGZEB-IBGZPJMESA-N 0 3 394.479 3.940 20 5 GHBDHN COc1cc(CN2CC([C@H]3CCOC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000369867857 923695150 /nfs/dbraw/zinc/69/51/50/923695150.db2.gz MOYJUSFDJOVMLK-SFHVURJKSA-N 0 3 398.459 3.651 20 5 GHBDHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409863969 925079316 /nfs/dbraw/zinc/07/93/16/925079316.db2.gz IJAKVIBMIORGDV-GOSISDBHSA-N 0 3 399.447 3.778 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2sccc2[C@@H]1C ZINC000411144506 926120931 /nfs/dbraw/zinc/12/09/31/926120931.db2.gz KAEYMTLLJPQLAA-LBPRGKRZSA-N 0 3 375.450 3.613 20 5 GHBDHN COc1ccc(NC(=O)CCN(C)[C@@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000411278331 926270805 /nfs/dbraw/zinc/27/08/05/926270805.db2.gz NZHHBEHIKXBSFN-LBPRGKRZSA-N 0 3 392.481 3.698 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000726182405 926580369 /nfs/dbraw/zinc/58/03/69/926580369.db2.gz DHPQADBISHOFSZ-NXEZZACHSA-N 0 3 379.766 3.542 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000726182407 926580996 /nfs/dbraw/zinc/58/09/96/926580996.db2.gz DHPQADBISHOFSZ-UWVGGRQHSA-N 0 3 379.766 3.542 20 5 GHBDHN CN(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000412332446 927341495 /nfs/dbraw/zinc/34/14/95/927341495.db2.gz PCYZAYAUEGHQGT-OTWHNJEPSA-N 0 3 387.867 3.771 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(F)c1 ZINC000412553031 927567390 /nfs/dbraw/zinc/56/73/90/927567390.db2.gz VIHGXWCATYYJST-UHFFFAOYSA-N 0 3 386.427 3.648 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000750602998 927743587 /nfs/dbraw/zinc/74/35/87/927743587.db2.gz KKVOYANIEYUDED-FQEVSTJZSA-N 0 3 377.448 3.908 20 5 GHBDHN O=[N+]([O-])c1cnc(N2CCCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000413031409 928121838 /nfs/dbraw/zinc/12/18/38/928121838.db2.gz ICNQWDAJWZBBEX-UHFFFAOYSA-N 0 3 380.370 3.721 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000467042794 928630925 /nfs/dbraw/zinc/63/09/25/928630925.db2.gz CKOYUGOUQJTWDF-LPHOPBHVSA-N 0 3 381.476 3.652 20 5 GHBDHN C/C(=C\C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752642451 928945626 /nfs/dbraw/zinc/94/56/26/928945626.db2.gz YFAZJULPGKNOLJ-INFVRCAFSA-N 0 3 394.475 3.735 20 5 GHBDHN C/C(=C/C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752642447 928945989 /nfs/dbraw/zinc/94/59/89/928945989.db2.gz YFAZJULPGKNOLJ-BHWVZIDZSA-N 0 3 394.475 3.735 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000469433996 929883227 /nfs/dbraw/zinc/88/32/27/929883227.db2.gz KYUAIBGISIWKKJ-IBGZPJMESA-N 0 3 384.480 3.551 20 5 GHBDHN Cc1cc([C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)ccc1F ZINC000557709352 931623687 /nfs/dbraw/zinc/62/36/87/931623687.db2.gz MYULQVKDNSHFIZ-VQTJNVASSA-N 0 3 383.423 3.889 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)/C=C(/C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000783754747 931645104 /nfs/dbraw/zinc/64/51/04/931645104.db2.gz CAMOJPAAJXHCDV-MSUUIHNZSA-N 0 3 394.475 3.779 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000783846504 931688481 /nfs/dbraw/zinc/68/84/81/931688481.db2.gz RCAOHVQJTZLRRY-AEFFLSMTSA-N 0 3 397.500 3.830 20 5 GHBDHN COC[C@@]1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC000797122230 932191999 /nfs/dbraw/zinc/19/19/99/932191999.db2.gz CJNQEXVDBZRMMI-YWZLYKJASA-N 0 3 393.484 3.662 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000560161898 933101056 /nfs/dbraw/zinc/10/10/56/933101056.db2.gz GKMSXBKMMUYXLV-JOCHJYFZSA-N 0 3 395.503 3.850 20 5 GHBDHN O=C(NCCN1CCCC1)c1ccc(NC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000561251541 933991949 /nfs/dbraw/zinc/99/19/49/933991949.db2.gz XIPRODMJNLRXNJ-FNORWQNLSA-N 0 3 394.475 3.546 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000828737262 935696903 /nfs/dbraw/zinc/69/69/03/935696903.db2.gz KORHGBFGPGXEIP-FZKQIMNGSA-N 0 3 375.856 3.978 20 5 GHBDHN CC(C)(C)OC(=O)CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000828794834 935712283 /nfs/dbraw/zinc/71/22/83/935712283.db2.gz CROHNYPULVCOAN-UHFFFAOYSA-N 0 3 398.887 3.961 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@H](O)c1ccccc1F)[C@H]1CC[C@H](O)CC1 ZINC000828807487 935715708 /nfs/dbraw/zinc/71/57/08/935715708.db2.gz NVRCVFLRTVEIPW-FIKGOQFSSA-N 0 3 388.439 3.573 20 5 GHBDHN Cc1ccc([C@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532221053 1014562042 /nfs/dbraw/zinc/56/20/42/1014562042.db2.gz JRIDJXJMSXPEBE-GHTZIAJQSA-N 0 3 382.508 3.543 20 5 GHBDHN CN(C)C[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001626116427 1014976871 /nfs/dbraw/zinc/97/68/71/1014976871.db2.gz RCMOVXTXSFHPLN-QGZVFWFLSA-N 0 3 393.846 3.739 20 5 GHBDHN Cc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000468592636 1015828770 /nfs/dbraw/zinc/82/87/70/1015828770.db2.gz VJPBFXAJNSCYTA-XQRVVYSFSA-N 0 3 383.839 3.940 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000470173446 1016742516 /nfs/dbraw/zinc/74/25/16/1016742516.db2.gz LKWZEGQDULHQFS-GFWHJHDHSA-N 0 3 385.508 3.969 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000558396098 1017192058 /nfs/dbraw/zinc/19/20/58/1017192058.db2.gz DKMMRKGQUFGRKO-HZPDHXFCSA-N 0 3 381.860 3.514 20 5 GHBDHN C[C@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 ZINC000779009902 1020190562 /nfs/dbraw/zinc/19/05/62/1020190562.db2.gz QRWGJJFOTSWRLF-KBPBESRZSA-N 0 3 387.402 3.551 20 5 GHBDHN C[Si](C)(C)CCOCN[C@@H]1CCCN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001156465994 1033048655 /nfs/dbraw/zinc/04/86/55/1033048655.db2.gz HVYQAJUJFRXVMV-CYBMUJFWSA-N 0 3 386.956 3.514 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001165202835 1026664553 /nfs/dbraw/zinc/66/45/53/1026664553.db2.gz PMWMATQOMHJDQG-JKSUJKDBSA-N 0 3 377.448 3.637 20 5 GHBDHN Cc1c(CNC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001461265079 1069469609 /nfs/dbraw/zinc/46/96/09/1069469609.db2.gz WIPHNLUAJWDGRW-RHSMWYFYSA-N 0 3 393.484 3.753 20 5 GHBDHN CCOC(=O)c1cc(Nc2ccc(N3CCN(C)CC3)cc2C)cc([N+](=O)[O-])c1 ZINC001211370944 1027925501 /nfs/dbraw/zinc/92/55/01/1027925501.db2.gz FRDBMGIFDCEXED-UHFFFAOYSA-N 0 3 398.463 3.575 20 5 GHBDHN CO[C@@](C)(CO)CNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001461605601 1069637050 /nfs/dbraw/zinc/63/70/50/1069637050.db2.gz KGDOFWNFSSOEED-LJQANCHMSA-N 0 3 376.478 3.541 20 5 GHBDHN CN1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCC1(C)C ZINC001149582759 1030233734 /nfs/dbraw/zinc/23/37/34/1030233734.db2.gz XBWZQAMXZWVJRN-UHFFFAOYSA-N 0 3 396.491 3.763 20 5 GHBDHN CCOC(=O)c1ccc(CO[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223962035 1030829962 /nfs/dbraw/zinc/82/99/62/1030829962.db2.gz DMKUMDGTMORGIM-FQEVSTJZSA-N 0 3 398.459 3.953 20 5 GHBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC001152463794 1031251447 /nfs/dbraw/zinc/25/14/47/1031251447.db2.gz BXZCZTCIPGACGQ-GOSISDBHSA-N 0 3 397.450 3.844 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001219317591 1031354053 /nfs/dbraw/zinc/35/40/53/1031354053.db2.gz GSVLSYGTWNIMAM-QAPCUYQASA-N 0 3 398.463 3.778 20 5 GHBDHN CN1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1ccc3oc4ccccc4c(=O)c3c1)C2 ZINC001153426909 1031585419 /nfs/dbraw/zinc/58/54/19/1031585419.db2.gz KXMHFWIVFQYXJF-OSYLJGHBSA-N 0 3 376.456 3.691 20 5 GHBDHN CN(C)CCC(=O)c1ccc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001229306255 1033407527 /nfs/dbraw/zinc/40/75/27/1033407527.db2.gz LGGHOQNYBGEHAK-UHFFFAOYSA-N 0 3 397.475 3.777 20 5 GHBDHN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001230248120 1033961385 /nfs/dbraw/zinc/96/13/85/1033961385.db2.gz XNRAKIUQIDAZHQ-QVKFZJNVSA-N 0 3 383.448 3.843 20 5 GHBDHN CN1CCC(N(Cc2ccc(F)cc2)c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001158446370 1034080778 /nfs/dbraw/zinc/08/07/78/1034080778.db2.gz QFRUXTLGQVLNFS-UHFFFAOYSA-N 0 3 378.835 3.883 20 5 GHBDHN CN1CCN(c2ccc(NCCc3ccc([N+](=O)[O-])cc3)c3cnccc32)CC1 ZINC001207813987 1034591488 /nfs/dbraw/zinc/59/14/88/1034591488.db2.gz QIKKTKGWFZTHQI-UHFFFAOYSA-N 0 3 391.475 3.549 20 5 GHBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001159597189 1034685083 /nfs/dbraw/zinc/68/50/83/1034685083.db2.gz AMUZVTDOKZKAEL-AWEZNQCLSA-N 0 3 386.415 3.924 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001254547021 1040314445 /nfs/dbraw/zinc/31/44/45/1040314445.db2.gz BWFWOTFKVQRGGR-ZDUSSCGKSA-N 0 3 381.388 3.699 20 5 GHBDHN O=C1CC2(CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2cc(F)ccc21 ZINC001254592637 1040363513 /nfs/dbraw/zinc/36/35/13/1040363513.db2.gz DSKIJWAHKDTOQI-SFHVURJKSA-N 0 3 380.419 3.821 20 5 GHBDHN Cc1ccc(N2C[C@]3(CCN([C@@H]4Cc5ccc([N+](=O)[O-])cc5C4)C3)CC2=O)s1 ZINC001254595110 1040367538 /nfs/dbraw/zinc/36/75/38/1040367538.db2.gz JBGSMQYZQFEUCO-WIYYLYMNSA-N 0 3 397.500 3.561 20 5 GHBDHN O=C1Nc2ccccc2CN1[C@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610289 1040381949 /nfs/dbraw/zinc/38/19/49/1040381949.db2.gz JGQFJXIKZRYWSH-VQTJNVASSA-N 0 3 392.459 3.574 20 5 GHBDHN CCN(C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000475161612 1041707596 /nfs/dbraw/zinc/70/75/96/1041707596.db2.gz HMCSPHHUCAEVPQ-HKUYNNGSSA-N 0 3 396.491 3.962 20 5 GHBDHN COc1ccc(F)cc1CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC001462575361 1070382094 /nfs/dbraw/zinc/38/20/94/1070382094.db2.gz AMJCJLDZNJZGMW-UHFFFAOYSA-N 0 3 389.246 3.899 20 5 GHBDHN CC[C@H](C)N[C@@H](CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC001307118509 1049085779 /nfs/dbraw/zinc/08/57/79/1049085779.db2.gz LPSCCNVBQCERPL-PMGRVEHTSA-N 0 3 387.436 3.915 20 5 GHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001307502234 1049342657 /nfs/dbraw/zinc/34/26/57/1049342657.db2.gz UMTXCSRXWAHWFQ-ROUUACIJSA-N 0 3 396.491 3.518 20 5 GHBDHN C[C@@H]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307857043 1049639074 /nfs/dbraw/zinc/63/90/74/1049639074.db2.gz AUPCHBNKCBQBQD-INMHGKMJSA-N 0 3 377.485 3.966 20 5 GHBDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307892660 1049670424 /nfs/dbraw/zinc/67/04/24/1049670424.db2.gz ATCOUKIGOUFYBB-SUWCGCSTSA-N 0 3 383.492 3.612 20 5 GHBDHN CCc1ccc(CN2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001308037990 1049788088 /nfs/dbraw/zinc/78/80/88/1049788088.db2.gz BAOMVVUSCITIKP-UHFFFAOYSA-N 0 3 383.492 3.744 20 5 GHBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC001308534666 1050001592 /nfs/dbraw/zinc/00/15/92/1050001592.db2.gz HANNBBPITBGVBT-NSHDSACASA-N 0 3 381.335 3.998 20 5 GHBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)C2)cc1 ZINC001310688891 1051532981 /nfs/dbraw/zinc/53/29/81/1051532981.db2.gz KXZRZIRRDIRVAE-GOSISDBHSA-N 0 3 382.464 3.916 20 5 GHBDHN Cc1ccc(CN2CC[C@H](NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)C2)cc1 ZINC001310688892 1051533195 /nfs/dbraw/zinc/53/31/95/1051533195.db2.gz KXZRZIRRDIRVAE-SFHVURJKSA-N 0 3 382.464 3.916 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc2ccccc2[nH]1 ZINC001322835944 1056863053 /nfs/dbraw/zinc/86/30/53/1056863053.db2.gz PLYJPCBECUVBJM-UHFFFAOYSA-N 0 3 382.420 3.545 20 5 GHBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001436158341 1063247236 /nfs/dbraw/zinc/24/72/36/1063247236.db2.gz SXJULKPJFGCCOD-QGZVFWFLSA-N 0 3 382.464 3.507 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001436562595 1063532801 /nfs/dbraw/zinc/53/28/01/1063532801.db2.gz AHFZNCXNIKDQBJ-QGZVFWFLSA-N 0 3 381.476 3.653 20 5 GHBDHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001458468570 1063828212 /nfs/dbraw/zinc/82/82/12/1063828212.db2.gz JZZOZGCVUSBVHO-QLFBSQMISA-N 0 3 385.493 3.792 20 5 GHBDHN CC(C)Cc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC001468701741 1067836013 /nfs/dbraw/zinc/83/60/13/1067836013.db2.gz WDERHKHEWGBBAK-NRFANRHFSA-N 0 3 399.491 3.591 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001360031606 1068322581 /nfs/dbraw/zinc/32/25/81/1068322581.db2.gz AOGPTTWERMUXTK-UHFFFAOYSA-N 0 3 391.418 3.694 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC001470133598 1068589858 /nfs/dbraw/zinc/58/98/58/1068589858.db2.gz HRYHASRKVCYQOT-YQQAZPJKSA-N 0 3 388.468 3.720 20 5 GHBDHN COC(=O)c1cccc(OCCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001460130179 1068798846 /nfs/dbraw/zinc/79/88/46/1068798846.db2.gz MAVXQXCJGDDQHT-GOSISDBHSA-N 0 3 384.432 3.640 20 5 GHBDHN CCOc1cc(CN2CCC(Cc3nc(C(C)C)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC001460330359 1068928726 /nfs/dbraw/zinc/92/87/26/1068928726.db2.gz CJMUWUJUWXCCHH-UHFFFAOYSA-N 0 3 387.484 3.690 20 5 GHBDHN CCOc1cc(CN2CCC(Cc3n[nH]c(C(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC001460330359 1068928727 /nfs/dbraw/zinc/92/87/27/1068928727.db2.gz CJMUWUJUWXCCHH-UHFFFAOYSA-N 0 3 387.484 3.690 20 5 GHBDHN CCc1ccc([C@@H](CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])N(C)C)cc1 ZINC001472635497 1073589009 /nfs/dbraw/zinc/58/90/09/1073589009.db2.gz VRCKXTHMMHQIRS-LJQANCHMSA-N 0 3 394.475 3.724 20 5 GHBDHN COc1ccc(OCCN[C@H](C)c2cc(Cl)cc3c2OCC3)c([N+](=O)[O-])c1 ZINC001473827238 1074162739 /nfs/dbraw/zinc/16/27/39/1074162739.db2.gz STJSZHZUPMPPPP-GFCCVEGCSA-N 0 3 392.839 3.921 20 5 GHBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]([C@@H]3CCOC3)C2)c(Br)c1 ZINC001473869683 1074183249 /nfs/dbraw/zinc/18/32/49/1074183249.db2.gz AXIQAGUXRSPDIL-UKRRQHHQSA-N 0 3 383.286 3.996 20 5 GHBDHN Cc1ccc(CN[C@H]2COc3cccc(Br)c3C2)cc1[N+](=O)[O-] ZINC001474245556 1074308244 /nfs/dbraw/zinc/30/82/44/1074308244.db2.gz QRWDPICATMKVMS-CYBMUJFWSA-N 0 3 377.238 3.759 20 5 GHBDHN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824545500 607816796 /nfs/dbraw/zinc/81/67/96/607816796.db2.gz CUJYZCCSNMRIBJ-POZUXBRTSA-N 0 3 392.463 3.837 20 5 GHBDHN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824545500 607816797 /nfs/dbraw/zinc/81/67/97/607816797.db2.gz CUJYZCCSNMRIBJ-POZUXBRTSA-N 0 3 392.463 3.837 20 5 GHBDHN Cc1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164728512 720354533 /nfs/dbraw/zinc/35/45/33/720354533.db2.gz VYTZQSUTCFXIRU-NHCUHLMSSA-N 0 3 389.459 3.700 20 5 GHBDHN CCOCCO[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000180789111 837547346 /nfs/dbraw/zinc/54/73/46/837547346.db2.gz AAXOKHBSMHOVTO-HNNXBMFYSA-N 0 3 376.478 3.951 20 5 GHBDHN Cc1ccc(CNC(=O)C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000175319160 835052705 /nfs/dbraw/zinc/05/27/05/835052705.db2.gz UGWRJBREBBBSIT-UHFFFAOYSA-N 0 3 381.476 3.740 20 5 GHBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000157672838 835340291 /nfs/dbraw/zinc/34/02/91/835340291.db2.gz ANZJQTYYRALNDW-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN O=C(NCC1CC1)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000179342526 835537605 /nfs/dbraw/zinc/53/76/05/835537605.db2.gz XVJARKABMAKFNV-MRXNPFEDSA-N 0 3 383.448 3.593 20 5 GHBDHN O=C(CCN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411155008 836071126 /nfs/dbraw/zinc/07/11/26/836071126.db2.gz MFEJOBKGPUTBIP-QGZVFWFLSA-N 0 3 389.477 3.666 20 5 GHBDHN CC(C)(NCCC(=O)NCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000411759045 836335959 /nfs/dbraw/zinc/33/59/59/836335959.db2.gz OXYBBBNLTBEMEH-UHFFFAOYSA-N 0 3 375.856 3.779 20 5 GHBDHN COc1cc(NC2CCN(CCOc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000433435501 844161180 /nfs/dbraw/zinc/16/11/80/844161180.db2.gz UJDRUDKDBURNBE-UHFFFAOYSA-N 0 3 389.427 3.698 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000612614251 836484164 /nfs/dbraw/zinc/48/41/64/836484164.db2.gz JGBFDSPAAUULDF-OAHLLOKOSA-N 0 3 386.427 3.862 20 5 GHBDHN COc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000015550364 844225623 /nfs/dbraw/zinc/22/56/23/844225623.db2.gz BGBRKSYKEOSMJD-IBGZPJMESA-N 0 3 375.400 3.668 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc(Br)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000180417390 837224169 /nfs/dbraw/zinc/22/41/69/837224169.db2.gz QZPNKTURYSJEAD-LBPRGKRZSA-N 0 3 392.253 3.864 20 5 GHBDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000275560760 837237245 /nfs/dbraw/zinc/23/72/45/837237245.db2.gz NVMNAVUKFFXAKD-HKUYNNGSSA-N 0 3 382.420 3.598 20 5 GHBDHN O=C1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C2(CCC2)N1 ZINC000572858451 839039189 /nfs/dbraw/zinc/03/91/89/839039189.db2.gz BPSCFWKUZRMIEY-KRWDZBQOSA-N 0 3 389.839 3.799 20 5 GHBDHN CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000561123169 839623986 /nfs/dbraw/zinc/62/39/86/839623986.db2.gz YBBINYWBBVFKHS-UHFFFAOYSA-N 0 3 396.491 3.547 20 5 GHBDHN COc1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000580584264 839854871 /nfs/dbraw/zinc/85/48/71/839854871.db2.gz HVDHPXVISNEFKG-OAHLLOKOSA-N 0 3 392.843 3.681 20 5 GHBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000408099028 840216385 /nfs/dbraw/zinc/21/63/85/840216385.db2.gz JAONNWXRYCOJOC-FRRDWIJNSA-N 0 3 383.290 3.594 20 5 GHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000124492388 840985570 /nfs/dbraw/zinc/98/55/70/840985570.db2.gz KLYJILQMBGDYPF-KGYLQXTDSA-N 0 3 389.374 3.641 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000418115668 841516524 /nfs/dbraw/zinc/51/65/24/841516524.db2.gz PRNZVAKYLCYSTG-AWEZNQCLSA-N 0 3 384.432 3.875 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000123136575 841529018 /nfs/dbraw/zinc/52/90/18/841529018.db2.gz YDFHZGNWUTYKLJ-UHFFFAOYSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc([C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])N(C)C)cc1OC ZINC000112072683 842181668 /nfs/dbraw/zinc/18/16/68/842181668.db2.gz WANXRBILOVLCLH-GOSISDBHSA-N 0 3 396.447 3.875 20 5 GHBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600229961 861312654 /nfs/dbraw/zinc/31/26/54/861312654.db2.gz YZHHVVKXGOREQD-AWEZNQCLSA-N 0 3 385.386 3.750 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CN1C1CC1 ZINC000490194475 861310772 /nfs/dbraw/zinc/31/07/72/861310772.db2.gz WECNNXBVNLOTJA-RDJZCZTQSA-N 0 3 394.475 3.562 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582286 843093841 /nfs/dbraw/zinc/09/38/41/843093841.db2.gz BBBHRIAIKVSRIB-MRXNPFEDSA-N 0 3 380.448 3.832 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512215101 843104011 /nfs/dbraw/zinc/10/40/11/843104011.db2.gz UUQBLUKGEUIFKR-HNNXBMFYSA-N 0 3 385.247 3.994 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000610669299 843456177 /nfs/dbraw/zinc/45/61/77/843456177.db2.gz QBBUAYZWHYSHRX-SFHVURJKSA-N 0 3 381.476 3.650 20 5 GHBDHN C[C@](CO)(NC/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000512888820 843940937 /nfs/dbraw/zinc/94/09/37/843940937.db2.gz BQPAQRYSXNKSGZ-WLPBJKJWSA-N 0 3 391.265 3.868 20 5 GHBDHN O=C(c1ccccc1[N+](=O)[O-])N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000509757806 843943591 /nfs/dbraw/zinc/94/35/91/843943591.db2.gz ZOQRXJAHGCBDKZ-UHFFFAOYSA-N 0 3 387.867 3.986 20 5 GHBDHN CC(C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000120053282 846052668 /nfs/dbraw/zinc/05/26/68/846052668.db2.gz BWVUCCPUALKFSQ-HXUWFJFHSA-N 0 3 385.439 3.547 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCC[C@@H]2CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000502844741 846537013 /nfs/dbraw/zinc/53/70/13/846537013.db2.gz UQEGTQJIJOFABU-HGHGUNKESA-N 0 3 397.475 3.724 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000421784192 846564080 /nfs/dbraw/zinc/56/40/80/846564080.db2.gz HKIDKNFLYIYGHY-UHFFFAOYSA-N 0 3 397.475 3.668 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCN(c3cccnn3)CC2)s1 ZINC000093150328 846790198 /nfs/dbraw/zinc/79/01/98/846790198.db2.gz OKWOKAKABAZGRE-UHFFFAOYSA-N 0 3 395.488 3.826 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1 ZINC000413182682 846874687 /nfs/dbraw/zinc/87/46/87/846874687.db2.gz SUOYVJXOMIWZSI-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN CC[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000501381684 846893353 /nfs/dbraw/zinc/89/33/53/846893353.db2.gz KZZDPXLADNHTMM-IBGZPJMESA-N 0 3 382.464 3.862 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000127532563 847044230 /nfs/dbraw/zinc/04/42/30/847044230.db2.gz YJTBXDQMUUSVRE-UHFFFAOYSA-N 0 3 382.464 3.782 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000127590961 847109042 /nfs/dbraw/zinc/10/90/42/847109042.db2.gz KSIOKUHBSXTYEV-SFHVURJKSA-N 0 3 382.464 3.998 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccco1 ZINC000599834306 861763069 /nfs/dbraw/zinc/76/30/69/861763069.db2.gz FMTLGYCVFHMCJI-SUMWQHHRSA-N 0 3 397.435 3.987 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183389820 847400950 /nfs/dbraw/zinc/40/09/50/847400950.db2.gz VXUDUVRWCBZYCM-SFHVURJKSA-N 0 3 387.411 3.524 20 5 GHBDHN CC(C)(NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431434962 847498461 /nfs/dbraw/zinc/49/84/61/847498461.db2.gz XTXUGHGRVKGZTC-KRWDZBQOSA-N 0 3 399.466 3.997 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CC(F)F)c1ccccc1 ZINC000420994719 847617190 /nfs/dbraw/zinc/61/71/90/847617190.db2.gz NOZNVYNIPJZIQS-INIZCTEOSA-N 0 3 393.390 3.918 20 5 GHBDHN CCC[C@H](NCCCS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000158669132 847863067 /nfs/dbraw/zinc/86/30/67/847863067.db2.gz DAEPUCWZCOYFJV-IBGZPJMESA-N 0 3 376.478 3.890 20 5 GHBDHN Cc1cc(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc([N+](=O)[O-])c1 ZINC000582827457 848491345 /nfs/dbraw/zinc/49/13/45/848491345.db2.gz OQFZBISOJFQKEA-INIZCTEOSA-N 0 3 379.420 3.728 20 5 GHBDHN CNc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000604200560 861940675 /nfs/dbraw/zinc/94/06/75/861940675.db2.gz PEPJFFYYONKZHX-NRFANRHFSA-N 0 3 396.491 3.840 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)c1ccccc1 ZINC000504928147 850465615 /nfs/dbraw/zinc/46/56/15/850465615.db2.gz ZRJXCMSTLJAXJS-OAHLLOKOSA-N 0 3 394.518 3.529 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000514987078 850577746 /nfs/dbraw/zinc/57/77/46/850577746.db2.gz SHFQDBCGRNEVIH-KDOFPFPSSA-N 0 3 375.494 3.959 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488054089 851126119 /nfs/dbraw/zinc/12/61/19/851126119.db2.gz PRZKQLUSXBLWLX-SJLPKXTDSA-N 0 3 396.491 3.965 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000249464344 852538828 /nfs/dbraw/zinc/53/88/28/852538828.db2.gz GJJAQNVAJRIIMC-NLWGTHIKSA-N 0 3 398.459 3.840 20 5 GHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000029177652 852583513 /nfs/dbraw/zinc/58/35/13/852583513.db2.gz XGYCWITXPSPWCQ-LJQANCHMSA-N 0 3 385.489 3.640 20 5 GHBDHN C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000151211940 853171852 /nfs/dbraw/zinc/17/18/52/853171852.db2.gz VGHZYBBBUOYWIW-KBXCAEBGSA-N 0 3 390.411 3.810 20 5 GHBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000519785552 853491946 /nfs/dbraw/zinc/49/19/46/853491946.db2.gz HEWBSYCMYJSGFG-QGZVFWFLSA-N 0 3 375.473 3.622 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440934755 853767449 /nfs/dbraw/zinc/76/74/49/853767449.db2.gz UKNCWJDUFGGRJX-YJBOKZPZSA-N 0 3 394.475 3.562 20 5 GHBDHN CC(=O)c1cc(NCC2(N3CCSCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000553379480 854988957 /nfs/dbraw/zinc/98/89/57/854988957.db2.gz XDIOCSMOWWNHSC-UHFFFAOYSA-N 0 3 377.510 3.961 20 5 GHBDHN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000536365544 855121344 /nfs/dbraw/zinc/12/13/44/855121344.db2.gz LSAMMDFZFXWKGU-OAQYLSRUSA-N 0 3 396.491 3.611 20 5 GHBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000301512041 855189820 /nfs/dbraw/zinc/18/98/20/855189820.db2.gz DGTLUMCBXCJJJW-AWEZNQCLSA-N 0 3 383.221 3.606 20 5 GHBDHN C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000573047954 855703941 /nfs/dbraw/zinc/70/39/41/855703941.db2.gz GDVSEDKHDMOJHD-MGPUTAFESA-N 0 3 395.459 3.606 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591018907 855713373 /nfs/dbraw/zinc/71/33/73/855713373.db2.gz KORFLWVJZKFLMI-FCHUYYIVSA-N 0 3 393.487 3.741 20 5 GHBDHN COC(=O)COc1ccc(CN2C[C@H](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000574765494 855849247 /nfs/dbraw/zinc/84/92/47/855849247.db2.gz LXNBIYZHNADMGF-QAPCUYQASA-N 0 3 384.432 3.730 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000462489127 855876323 /nfs/dbraw/zinc/87/63/23/855876323.db2.gz YBYMVXAZLSVTDH-YLJYHZDGSA-N 0 3 381.476 3.683 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H]2c3ccccc3CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474001964 855909721 /nfs/dbraw/zinc/90/97/21/855909721.db2.gz OSQGAECQABGPBC-OYHNWAKOSA-N 0 3 398.459 3.950 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000465806834 856086371 /nfs/dbraw/zinc/08/63/71/856086371.db2.gz HJIGSWQNTDRQPL-OAQYLSRUSA-N 0 3 396.491 3.582 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)o2)cc1 ZINC000281028054 862811038 /nfs/dbraw/zinc/81/10/38/862811038.db2.gz OXNLOXRNMAHDCW-KURKYZTESA-N 0 3 386.452 3.550 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592693924 857028140 /nfs/dbraw/zinc/02/81/40/857028140.db2.gz BQMFFVUTPOSRQO-LJQANCHMSA-N 0 3 397.475 3.729 20 5 GHBDHN COc1ccc(-c2ccc(CN3CC[C@@H](n4cc(C)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000574127964 857252239 /nfs/dbraw/zinc/25/22/39/857252239.db2.gz WGOLPVUZTZBKLU-OAHLLOKOSA-N 0 3 382.420 3.815 20 5 GHBDHN CN(C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301712006 857350450 /nfs/dbraw/zinc/35/04/50/857350450.db2.gz YDRFAIYCHLRKSY-AWEZNQCLSA-N 0 3 383.221 3.606 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3ccc4c(c3)OCCO4)cs2)c1 ZINC000113313492 857423650 /nfs/dbraw/zinc/42/36/50/857423650.db2.gz KJAOVDNDZBCNLJ-UHFFFAOYSA-N 0 3 397.456 3.822 20 5 GHBDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129152948 857704467 /nfs/dbraw/zinc/70/44/67/857704467.db2.gz VAESOBOWPQFLII-UZLBHIALSA-N 0 3 377.460 3.513 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000595032024 858373786 /nfs/dbraw/zinc/37/37/86/858373786.db2.gz GFLIALYCYSDJQD-HWWQOWPSSA-N 0 3 376.375 3.738 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000595050994 858379930 /nfs/dbraw/zinc/37/99/30/858379930.db2.gz WINCQXUOHHZZOK-XLIONFOSSA-N 0 3 399.491 3.545 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCO[C@H]3CCCCO3)cs2)c1 ZINC000922234043 859112587 /nfs/dbraw/zinc/11/25/87/859112587.db2.gz QSASUQLZBCUTLQ-KRWDZBQOSA-N 0 3 377.466 3.741 20 5 GHBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1OC(F)(F)F ZINC000025255456 859206022 /nfs/dbraw/zinc/20/60/22/859206022.db2.gz JYJWLWMIZNQKTQ-UHFFFAOYSA-N 0 3 397.353 3.954 20 5 GHBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC[C@H]2N1 ZINC000597205848 859360289 /nfs/dbraw/zinc/36/02/89/859360289.db2.gz LIHURCIBIGIWPV-SJKOYZFVSA-N 0 3 389.839 3.609 20 5 GHBDHN C[C@](CO)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000483648327 859508602 /nfs/dbraw/zinc/50/86/02/859508602.db2.gz VFPMTKIXIULFEP-LJQANCHMSA-N 0 3 380.391 3.527 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117669266 859562090 /nfs/dbraw/zinc/56/20/90/859562090.db2.gz ZXBZNDBPUDQREW-UHFFFAOYSA-N 0 3 393.846 3.520 20 5 GHBDHN CCN1CCN(c2ccccc2CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466462864 859621229 /nfs/dbraw/zinc/62/12/29/859621229.db2.gz NFDKPPZMEXFMSU-UHFFFAOYSA-N 0 3 388.899 3.680 20 5 GHBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000611215807 859652773 /nfs/dbraw/zinc/65/27/73/859652773.db2.gz FQZHVARDHCZDGM-CQSZACIVSA-N 0 3 377.510 3.701 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC3(CC2)OC(=O)c2ccccc23)c([N+](=O)[O-])c1 ZINC001170347500 881471505 /nfs/dbraw/zinc/47/15/05/881471505.db2.gz RKRQELOZGUSUTI-HNNXBMFYSA-N 0 3 396.443 3.696 20 5 GHBDHN COC(=O)COc1ccc(CNCc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000474345307 859889415 /nfs/dbraw/zinc/88/94/15/859889415.db2.gz NLHUPYQXZHMYLG-UHFFFAOYSA-N 0 3 386.429 3.651 20 5 GHBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000484499206 860048172 /nfs/dbraw/zinc/04/81/72/860048172.db2.gz LTQKGDRJQPFYCN-HSQYWUDLSA-N 0 3 383.492 3.925 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000054224025 860096557 /nfs/dbraw/zinc/09/65/57/860096557.db2.gz DZHLGRSJYKQBRQ-RDJZCZTQSA-N 0 3 385.489 3.639 20 5 GHBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000602805255 860289860 /nfs/dbraw/zinc/28/98/60/860289860.db2.gz NPKAAUUIVWNRBR-GOSISDBHSA-N 0 3 385.855 3.722 20 5 GHBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000093898638 860369954 /nfs/dbraw/zinc/36/99/54/860369954.db2.gz RNMQZSPQKBUDFW-ZDUSSCGKSA-N 0 3 391.855 3.854 20 5 GHBDHN O=[N+]([O-])c1cnn(CCN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000156056851 860668212 /nfs/dbraw/zinc/66/82/12/860668212.db2.gz IRCWYDWNCLSHQV-UHFFFAOYSA-N 0 3 399.278 3.779 20 5 GHBDHN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000494352659 881581115 /nfs/dbraw/zinc/58/11/15/881581115.db2.gz RRFCCXPOAPEDCG-GJZGRUSLSA-N 0 3 380.452 3.755 20 5 GHBDHN Cc1c(CNC[C@H](O)COc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000392985394 860926561 /nfs/dbraw/zinc/92/65/61/860926561.db2.gz APAKOSIBFFAHKU-ZDUSSCGKSA-N 0 3 385.247 3.740 20 5 GHBDHN COc1cc(CN[C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000185640827 861108332 /nfs/dbraw/zinc/10/83/32/861108332.db2.gz OSAUFYGVARLSTN-SMDDNHRTSA-N 0 3 394.374 3.859 20 5 GHBDHN CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000522781278 863279057 /nfs/dbraw/zinc/27/90/57/863279057.db2.gz JAIBCFUTTLPWHC-QFBILLFUSA-N 0 3 396.491 3.934 20 5 GHBDHN CCC[C@@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000482536671 863286867 /nfs/dbraw/zinc/28/68/67/863286867.db2.gz MUWNNMPHLOPETG-DNVCBOLYSA-N 0 3 380.391 3.744 20 5 GHBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCN1C ZINC000444086643 863358283 /nfs/dbraw/zinc/35/82/83/863358283.db2.gz JMEHWPJCRCFZFH-JSGCOSHPSA-N 0 3 399.441 3.514 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=C(c2ccc(F)cc2)CC1 ZINC000192818140 863998171 /nfs/dbraw/zinc/99/81/71/863998171.db2.gz AGKXSORKBNTDCJ-UHFFFAOYSA-N 0 3 399.422 3.860 20 5 GHBDHN CCc1ccc(OC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000734736698 864414396 /nfs/dbraw/zinc/41/43/96/864414396.db2.gz GYWAUWCYMGKSRD-HNNXBMFYSA-N 0 3 388.807 3.769 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000554641607 864645188 /nfs/dbraw/zinc/64/51/88/864645188.db2.gz LNFGVBLNOBXONT-WEYGHZABSA-N 0 3 395.503 3.943 20 5 GHBDHN CSc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475310124 864760671 /nfs/dbraw/zinc/76/06/71/864760671.db2.gz ANCUJEPALNQPQV-QGZVFWFLSA-N 0 3 385.489 3.663 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC2CC(N3CCC(C(F)(F)F)CC3)C2)c(F)c1 ZINC000475328963 864792713 /nfs/dbraw/zinc/79/27/13/864792713.db2.gz KMINSBBIDLQJBG-UHFFFAOYSA-N 0 3 375.366 3.629 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000554847503 865034118 /nfs/dbraw/zinc/03/41/18/865034118.db2.gz WFQWATYIXAVSPJ-UHFFFAOYSA-N 0 3 393.443 3.792 20 5 GHBDHN C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184915220 865043366 /nfs/dbraw/zinc/04/33/66/865043366.db2.gz YCHWPAFWDPXDCZ-FOIQADDNSA-N 0 3 385.439 3.791 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000608792983 865730225 /nfs/dbraw/zinc/73/02/25/865730225.db2.gz QWDDMKCOXPANGS-FQEVSTJZSA-N 0 3 382.464 3.540 20 5 GHBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183138796 866267762 /nfs/dbraw/zinc/26/77/62/866267762.db2.gz IMKNYXCBLYZSTE-HUUCEWRRSA-N 0 3 393.447 3.767 20 5 GHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1CN(C)C ZINC000552950460 866521500 /nfs/dbraw/zinc/52/15/00/866521500.db2.gz QWHAIBIPJNTCCV-LBPRGKRZSA-N 0 3 377.828 3.716 20 5 GHBDHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000444448066 866606198 /nfs/dbraw/zinc/60/61/98/866606198.db2.gz BEGSMFVTSLKOLA-UHFFFAOYSA-N 0 3 395.415 3.550 20 5 GHBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000742391776 867257377 /nfs/dbraw/zinc/25/73/77/867257377.db2.gz RXBSJCKBAPMUBN-KRWDZBQOSA-N 0 3 396.447 3.628 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000534703638 867286567 /nfs/dbraw/zinc/28/65/67/867286567.db2.gz AWEYRKIKOCWPJR-UHFFFAOYSA-N 0 3 396.491 3.820 20 5 GHBDHN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000195319303 882069728 /nfs/dbraw/zinc/06/97/28/882069728.db2.gz LZWORMNJZICXIR-UHFFFAOYSA-N 0 3 393.443 3.639 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000523614151 867616407 /nfs/dbraw/zinc/61/64/07/867616407.db2.gz BVCJPSKBKKUZJX-NRFANRHFSA-N 0 3 396.491 3.582 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534966139 867840372 /nfs/dbraw/zinc/84/03/72/867840372.db2.gz FKMPUFKMYZMXCG-GDBMZVCRSA-N 0 3 378.432 3.641 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000553666868 867883282 /nfs/dbraw/zinc/88/32/82/867883282.db2.gz MPEVWNKXANDTRA-HXUWFJFHSA-N 0 3 385.464 3.723 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000743278055 868026069 /nfs/dbraw/zinc/02/60/69/868026069.db2.gz KSBIDILFKDCNLP-KRWDZBQOSA-N 0 3 376.844 3.981 20 5 GHBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1OC ZINC000479899999 868669226 /nfs/dbraw/zinc/66/92/26/868669226.db2.gz JAQLARXBEMNNOR-HFBAOOFYSA-N 0 3 383.876 3.759 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccccc2)CCCCC1 ZINC000440914852 869261820 /nfs/dbraw/zinc/26/18/20/869261820.db2.gz HCQWGOWIBLVIOB-UHFFFAOYSA-N 0 3 383.448 3.991 20 5 GHBDHN CC(C)[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000491284996 870259926 /nfs/dbraw/zinc/25/99/26/870259926.db2.gz RKUIVYPCYWECMV-YADHBBJMSA-N 0 3 383.492 3.631 20 5 GHBDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617742716 870821474 /nfs/dbraw/zinc/82/14/74/870821474.db2.gz UKNCVQAFFLRNFH-QZTJIDSGSA-N 0 3 381.476 3.821 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000069617757 871221995 /nfs/dbraw/zinc/22/19/95/871221995.db2.gz ZLUAKYMCLTYAFH-GOSISDBHSA-N 0 3 375.856 3.843 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000181872537 871583523 /nfs/dbraw/zinc/58/35/23/871583523.db2.gz BWHHPGQEHLAZRG-MRXNPFEDSA-N 0 3 382.464 3.793 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(CN3CCOCC3)cc1)CCC2 ZINC000447518400 871739829 /nfs/dbraw/zinc/73/98/29/871739829.db2.gz VUTCKHBSAWXKTD-JOCHJYFZSA-N 0 3 381.476 3.594 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462182813 871784605 /nfs/dbraw/zinc/78/46/05/871784605.db2.gz QJWFXNHWUHNQDP-WEYGHZABSA-N 0 3 395.503 3.800 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccccc2Br)n1 ZINC000447538802 871806356 /nfs/dbraw/zinc/80/63/56/871806356.db2.gz DJFAGDQNXWJPSE-GJZGRUSLSA-N 0 3 379.258 3.827 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000540771843 872123923 /nfs/dbraw/zinc/12/39/23/872123923.db2.gz IRLBITGZTUMGSW-MRXNPFEDSA-N 0 3 377.510 3.796 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000770143497 874493805 /nfs/dbraw/zinc/49/38/05/874493805.db2.gz MKSHVEOUYCLUCL-BMRADRMJSA-N 0 3 394.475 3.779 20 5 GHBDHN C[C@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000550939161 882858472 /nfs/dbraw/zinc/85/84/72/882858472.db2.gz OKBBRFXPXGQRFG-ZDUSSCGKSA-N 0 3 382.869 3.763 20 5 GHBDHN CCc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000746512706 875441364 /nfs/dbraw/zinc/44/13/64/875441364.db2.gz WFQUBLIUIRVTHG-QUCCMNQESA-N 0 3 379.460 3.914 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000054348086 876503340 /nfs/dbraw/zinc/50/33/40/876503340.db2.gz YBAKNFLJHASTDZ-ZBFHGGJFSA-N 0 3 384.436 3.560 20 5 GHBDHN CS[C@H](CO)[C@@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610090197 877386248 /nfs/dbraw/zinc/38/62/48/877386248.db2.gz UVRQFQPPGFDDOF-AUUYWEPGSA-N 0 3 375.494 3.565 20 5 GHBDHN COc1cc(CN2CCC[C@@H]2Cn2c(C)nc3ccccc32)ccc1[N+](=O)[O-] ZINC000492781298 877535829 /nfs/dbraw/zinc/53/58/29/877535829.db2.gz BRIVEPNDUKMMPS-QGZVFWFLSA-N 0 3 380.448 3.926 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@](O)(C(F)(F)F)CC3)o2)c1 ZINC000285426441 912286582 /nfs/dbraw/zinc/28/65/82/912286582.db2.gz DXJMKIUCDKCEAU-QGZVFWFLSA-N 0 3 399.369 3.572 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451484519 878030974 /nfs/dbraw/zinc/03/09/74/878030974.db2.gz XFBGGHZLDLIBDA-HFBAOOFYSA-N 0 3 381.860 3.513 20 5 GHBDHN O=c1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccc(Cl)cn12 ZINC000451546010 878119760 /nfs/dbraw/zinc/11/97/60/878119760.db2.gz IOWSHCJPBADMLW-HNNXBMFYSA-N 0 3 398.850 3.636 20 5 GHBDHN O=c1[nH]c(CCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccccc21 ZINC000451552232 878135596 /nfs/dbraw/zinc/13/55/96/878135596.db2.gz WEPZLOQAKUIJAD-INIZCTEOSA-N 0 3 378.432 3.666 20 5 GHBDHN CCN1CCN(c2ccc(N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000788693998 878247791 /nfs/dbraw/zinc/24/77/91/878247791.db2.gz SZTOQZIRQGMUOO-INIZCTEOSA-N 0 3 383.496 3.800 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000789441857 878977131 /nfs/dbraw/zinc/97/71/31/878977131.db2.gz IRYNJZQNAUFEFD-UHFFFAOYSA-N 0 3 384.480 3.850 20 5 GHBDHN C[C@@H]1CCCN(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000494258790 881325303 /nfs/dbraw/zinc/32/53/03/881325303.db2.gz DLBKRTPXOXDTMV-QGZVFWFLSA-N 0 3 397.475 3.636 20 5 GHBDHN COc1cccc(CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000064400000 883295341 /nfs/dbraw/zinc/29/53/41/883295341.db2.gz GKJNKHBOYNZASY-IBGZPJMESA-N 0 3 386.448 3.663 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000609506189 883300510 /nfs/dbraw/zinc/30/05/10/883300510.db2.gz LFEGLNMUYYXNFS-HZPDHXFCSA-N 0 3 387.505 3.712 20 5 GHBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000498377289 884219287 /nfs/dbraw/zinc/21/92/87/884219287.db2.gz YGPMELBXLDNJQR-ZBFHGGJFSA-N 0 3 377.828 3.513 20 5 GHBDHN CCOc1ccc(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000032246249 885303521 /nfs/dbraw/zinc/30/35/21/885303521.db2.gz TZKVCZWCPBQWJV-LJQANCHMSA-N 0 3 385.464 3.589 20 5 GHBDHN COCC[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000495433469 885755124 /nfs/dbraw/zinc/75/51/24/885755124.db2.gz OCWAPYNTSLWBES-CXAGYDPISA-N 0 3 375.425 3.581 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000153481010 885817696 /nfs/dbraw/zinc/81/76/96/885817696.db2.gz RTCGHNFORIFUGY-QZTJIDSGSA-N 0 3 383.492 3.975 20 5 GHBDHN CN1CC[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccccc1 ZINC000550684946 885893646 /nfs/dbraw/zinc/89/36/46/885893646.db2.gz TZXVMWZKWPDQGX-VQTJNVASSA-N 0 3 378.432 3.785 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N(C)[C@@H]3CCN(C4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000498907531 886079571 /nfs/dbraw/zinc/07/95/71/886079571.db2.gz FDAJLWNJOXUDPZ-LJQANCHMSA-N 0 3 394.475 3.828 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H]3Cc4cccc(O)c4C3)o2)c([N+](=O)[O-])c1 ZINC000428564136 886296610 /nfs/dbraw/zinc/29/66/10/886296610.db2.gz IOFUHSLEIOOBQS-CQSZACIVSA-N 0 3 380.400 3.826 20 5 GHBDHN C[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000272527017 887630882 /nfs/dbraw/zinc/63/08/82/887630882.db2.gz MFWUVKDIUMDTDE-UWJYYQICSA-N 0 3 393.491 3.528 20 5 GHBDHN Cc1ccc([C@H]2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c(C)c1 ZINC000794657218 887733770 /nfs/dbraw/zinc/73/37/70/887733770.db2.gz UHTYMIDOAQZWAN-SFHVURJKSA-N 0 3 377.448 3.917 20 5 GHBDHN CC(C)(C)SCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000810142509 888211753 /nfs/dbraw/zinc/21/17/53/888211753.db2.gz KQEVQFJLZKVFLR-UHFFFAOYSA-N 0 3 394.278 3.821 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001132393741 888753077 /nfs/dbraw/zinc/75/30/77/888753077.db2.gz TUNTVEMZUFTLJV-IBGZPJMESA-N 0 3 381.476 3.996 20 5 GHBDHN O=C(CN[C@H](c1ccccc1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533064827 889662954 /nfs/dbraw/zinc/66/29/54/889662954.db2.gz ALIQKKIOBHHFHL-OAQYLSRUSA-N 0 3 397.431 3.783 20 5 GHBDHN Cc1c(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000795098140 890174652 /nfs/dbraw/zinc/17/46/52/890174652.db2.gz CHIVJVKZEAYVJW-SJLPKXTDSA-N 0 3 375.469 3.735 20 5 GHBDHN Cc1ccc(C(=O)N2CCC(N[C@@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000872032381 891126192 /nfs/dbraw/zinc/12/61/92/891126192.db2.gz RZFAPAICWIWLPL-HNNXBMFYSA-N 0 3 385.439 3.998 20 5 GHBDHN C[C@H](NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071240 891138547 /nfs/dbraw/zinc/13/85/47/891138547.db2.gz LSRZHTKXNUGEOI-NSHDSACASA-N 0 3 394.834 3.671 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c1 ZINC000067753568 892023821 /nfs/dbraw/zinc/02/38/21/892023821.db2.gz ACSFVBJENYEMHH-OAQYLSRUSA-N 0 3 397.475 3.806 20 5 GHBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCCCC1 ZINC000917840289 892641156 /nfs/dbraw/zinc/64/11/56/892641156.db2.gz UQNXYAWTYINSJV-INIZCTEOSA-N 0 3 383.448 3.991 20 5 GHBDHN CN(C)Cc1c2ccccc2oc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288403336 913757227 /nfs/dbraw/zinc/75/72/27/913757227.db2.gz QHFSELLLKJCQCB-UHFFFAOYSA-N 0 3 381.432 3.717 20 5 GHBDHN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000878255149 894133062 /nfs/dbraw/zinc/13/30/62/894133062.db2.gz MZYGGIWREJKIJJ-UHFFFAOYSA-N 0 3 380.832 3.688 20 5 GHBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001135797683 895285037 /nfs/dbraw/zinc/28/50/37/895285037.db2.gz PRFZEBQYBVTGHJ-MRXNPFEDSA-N 0 3 387.867 3.572 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@H](C3CCOCC3)C2)o1 ZINC000880577633 895753786 /nfs/dbraw/zinc/75/37/86/895753786.db2.gz NDIYZYYFXFYWKW-INIZCTEOSA-N 0 3 386.452 3.674 20 5 GHBDHN Cc1c(NC(=O)CCN2CCC(F)(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000289306240 914134663 /nfs/dbraw/zinc/13/46/63/914134663.db2.gz ITMHJQRBUUJLDL-UHFFFAOYSA-N 0 3 386.427 3.588 20 5 GHBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000567603144 897286261 /nfs/dbraw/zinc/28/62/61/897286261.db2.gz NFTONVANUXXWFG-ZACQAIPSSA-N 0 3 391.515 3.778 20 5 GHBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001136536206 898210412 /nfs/dbraw/zinc/21/04/12/898210412.db2.gz TTXSLPSZOHMAJP-IBGZPJMESA-N 0 3 396.491 3.694 20 5 GHBDHN C[C@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000569998521 899062489 /nfs/dbraw/zinc/06/24/89/899062489.db2.gz MJDDKYMSZFTGNZ-INIZCTEOSA-N 0 3 397.475 3.541 20 5 GHBDHN C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571301530 899819018 /nfs/dbraw/zinc/81/90/18/899819018.db2.gz ADDQRWJVDMZRSS-ACJLOTCBSA-N 0 3 390.871 3.911 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000137078656 900778748 /nfs/dbraw/zinc/77/87/48/900778748.db2.gz FGXCNZCABKTGSC-YJBOKZPZSA-N 0 3 387.505 3.843 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccncc1OC[C@H]1CCOC1 ZINC000574432293 900890378 /nfs/dbraw/zinc/89/03/78/900890378.db2.gz NLVLDZMZZUOSRZ-WBNHJWIASA-N 0 3 383.448 3.598 20 5 GHBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000577012924 902432430 /nfs/dbraw/zinc/43/24/30/902432430.db2.gz AWHNAPRKENXQNR-APWZRJJASA-N 0 3 379.460 3.889 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577029557 902444668 /nfs/dbraw/zinc/44/46/68/902444668.db2.gz BMJIRSIJDHSVBL-PKOBYXMFSA-N 0 3 393.846 3.931 20 5 GHBDHN CCOc1ccc(OCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845873434 902475029 /nfs/dbraw/zinc/47/50/29/902475029.db2.gz UDJONGXXFYCXQX-YJYMSZOUSA-N 0 3 377.368 3.553 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845873003 902476791 /nfs/dbraw/zinc/47/67/91/902476791.db2.gz AOXRPQJOIRZTTN-VGTOOOLASA-N 0 3 383.322 3.821 20 5 GHBDHN CC([C@H](OC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872968 902476985 /nfs/dbraw/zinc/47/69/85/902476985.db2.gz AZGUXJKBWXZOTO-LRDDRELGSA-N 0 3 398.431 3.769 20 5 GHBDHN CCO[C@H](C)c1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845874831 902478226 /nfs/dbraw/zinc/47/82/26/902478226.db2.gz IUNPCAKRLGLDMU-RWSFTLGLSA-N 0 3 382.413 3.943 20 5 GHBDHN Cc1nn(C(F)F)c(C)c1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876898 902480638 /nfs/dbraw/zinc/48/06/38/902480638.db2.gz RABJTEDTHWKYKP-BDJLRTHQSA-N 0 3 385.342 3.526 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883512 902486207 /nfs/dbraw/zinc/48/62/07/902486207.db2.gz UEPFUNZSNSPNRD-PJIJBLCYSA-N 0 3 390.386 3.741 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)Cc1cnc2ccccc2n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882360 902486469 /nfs/dbraw/zinc/48/64/69/902486469.db2.gz ONSXJIGAGKTSJG-ARGWCVDVSA-N 0 3 397.406 3.897 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C)cc1 ZINC000577295302 902655999 /nfs/dbraw/zinc/65/59/99/902655999.db2.gz VTRHFIOEVPZZAT-GOSISDBHSA-N 0 3 398.488 3.831 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000601225159 903481963 /nfs/dbraw/zinc/48/19/63/903481963.db2.gz DCDMXVLVOIDSRE-YVEFUNNKSA-N 0 3 377.441 3.608 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000601225158 903482383 /nfs/dbraw/zinc/48/23/83/903482383.db2.gz DCDMXVLVOIDSRE-SJKOYZFVSA-N 0 3 377.441 3.608 20 5 GHBDHN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@H](N2CCCCC2)C1 ZINC001147013077 903666984 /nfs/dbraw/zinc/66/69/84/903666984.db2.gz QHPGMIZLYPALDP-JTQLQIEISA-N 0 3 390.242 3.741 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCc1ncc(Br)s1)CC2 ZINC001172905872 905931655 /nfs/dbraw/zinc/93/16/55/905931655.db2.gz LFBOFJMPFCPQGV-GFCCVEGCSA-N 0 3 382.283 3.851 20 5 GHBDHN CCOC(=O)C[C@@H]1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001173191259 906273910 /nfs/dbraw/zinc/27/39/10/906273910.db2.gz BZYGLBHKLZPDLU-KKUMJFAQSA-N 0 3 396.459 3.585 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001173223116 906303754 /nfs/dbraw/zinc/30/37/54/906303754.db2.gz YARIGJFMEXVNAU-HOTGVXAUSA-N 0 3 377.485 3.857 20 5 GHBDHN Cc1cc2cc3cc(C)c(Nc4cccc(S(N)(=O)=O)c4)cc3nc2cc1N ZINC001174245701 906935707 /nfs/dbraw/zinc/93/57/07/906935707.db2.gz ZOMURIBBZLVGLG-UHFFFAOYSA-N 0 3 392.484 3.978 20 5 GHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001175983337 907851432 /nfs/dbraw/zinc/85/14/32/907851432.db2.gz OWQIZNKWBDIODF-QEEYODRMSA-N 0 3 375.469 3.845 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000193675121 908622653 /nfs/dbraw/zinc/62/26/53/908622653.db2.gz XVQKKRRYNOYBOL-GOSISDBHSA-N 0 3 391.855 3.863 20 5 GHBDHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001177588500 908653039 /nfs/dbraw/zinc/65/30/39/908653039.db2.gz ZGMLIHZTUYSTTI-CRAIPNDOSA-N 0 3 385.439 3.823 20 5 GHBDHN COc1ccc2c(c1)OC[C@@H](NCc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC001178412538 909048961 /nfs/dbraw/zinc/04/89/61/909048961.db2.gz XJJHDVWRPOYPCK-INIZCTEOSA-N 0 3 380.400 3.957 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H](C)[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000266299861 909067969 /nfs/dbraw/zinc/06/79/69/909067969.db2.gz MDOXKGGLJORLQL-OXFYSEKESA-N 0 3 383.448 3.598 20 5 GHBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)CN(C)C1CCCC1 ZINC001180629419 910276446 /nfs/dbraw/zinc/27/64/46/910276446.db2.gz MMFPEEWNZSJNJZ-UHFFFAOYSA-N 0 3 392.503 3.769 20 5 GHBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(NS(C)(=O)=O)c1 ZINC000774143253 911438661 /nfs/dbraw/zinc/43/86/61/911438661.db2.gz LULJAWIOQBDILP-ORAYPTAESA-N 0 3 389.477 3.695 20 5 GHBDHN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000284191104 911784770 /nfs/dbraw/zinc/78/47/70/911784770.db2.gz RPDSOHBTKJSFLR-SOZUMNATSA-N 0 3 384.436 3.698 20 5 GHBDHN CN1CCC[C@@]2(CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)C1 ZINC000294329742 916741282 /nfs/dbraw/zinc/74/12/82/916741282.db2.gz XJZNUUOVJQKBSL-HSZRJFAPSA-N 0 3 375.472 3.652 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000796431109 917091414 /nfs/dbraw/zinc/09/14/14/917091414.db2.gz LBKNBZMBWYBILG-DLBZAZTESA-N 0 3 385.247 3.648 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC001190510831 917374868 /nfs/dbraw/zinc/37/48/68/917374868.db2.gz RPAPTFOLFUOMQH-SFHVURJKSA-N 0 3 397.475 3.811 20 5 GHBDHN COC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000775445045 917842146 /nfs/dbraw/zinc/84/21/46/917842146.db2.gz ZWGXUSXBUOGYPJ-IAGOWNOFSA-N 0 3 384.354 3.624 20 5 GHBDHN CN(C)C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000802721341 922357846 /nfs/dbraw/zinc/35/78/46/922357846.db2.gz SPORRJMZWWCHAF-INIZCTEOSA-N 0 3 378.885 3.838 20 5 GHBDHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000409863970 925079195 /nfs/dbraw/zinc/07/91/95/925079195.db2.gz IJAKVIBMIORGDV-SFHVURJKSA-N 0 3 399.447 3.778 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2csc(NC3CCN(C[C@H]4CCCO4)CC3)n2)cc1 ZINC000827389006 925406117 /nfs/dbraw/zinc/40/61/17/925406117.db2.gz CRYJROIRGGTHQW-QGZVFWFLSA-N 0 3 388.493 3.774 20 5 GHBDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000726605201 926758361 /nfs/dbraw/zinc/75/83/61/926758361.db2.gz KCVXMWKYCUQTPI-YNEJIKTKSA-N 0 3 381.476 3.677 20 5 GHBDHN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C)C)cc2F)cc1SC ZINC000412556364 927571172 /nfs/dbraw/zinc/57/11/72/927571172.db2.gz FKWMUJPBTJJQBH-UHFFFAOYSA-N 0 3 393.440 3.778 20 5 GHBDHN COCCCC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000470992998 931082534 /nfs/dbraw/zinc/08/25/34/931082534.db2.gz IWBHCVBOOVYIHH-FQEVSTJZSA-N 0 3 397.475 3.632 20 5 GHBDHN CC[C@H](C)N[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000557693545 931615458 /nfs/dbraw/zinc/61/54/58/931615458.db2.gz KPJLXJRRQLIKMC-CMPLNLGQSA-N 0 3 383.246 3.887 20 5 GHBDHN COc1cc(CN[C@H]2C[C@@H]2C(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000558129721 931851181 /nfs/dbraw/zinc/85/11/81/931851181.db2.gz DLGLVOWSJDTUBX-HOTGVXAUSA-N 0 3 378.375 3.926 20 5 GHBDHN C[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](n2cncn2)C1 ZINC000559899956 932934395 /nfs/dbraw/zinc/93/43/95/932934395.db2.gz GTQCAVPHDUMACY-LYRGGWFBSA-N 0 3 383.374 3.725 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2c(F)cccc2N2CCCC2)n1 ZINC000560575644 933355529 /nfs/dbraw/zinc/35/55/29/933355529.db2.gz YBSGUIHDUNTNGJ-HKUYNNGSSA-N 0 3 387.459 3.804 20 5 GHBDHN COc1ccccc1C1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 ZINC001116470566 933577774 /nfs/dbraw/zinc/57/77/74/933577774.db2.gz QTWYOPVWTAVVHQ-UHFFFAOYSA-N 0 3 383.448 3.909 20 5 GHBDHN C[C@H]1[C@H](N2CCCC2)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000561434093 934156401 /nfs/dbraw/zinc/15/64/01/934156401.db2.gz APRLWKPKBCEFEB-QFBILLFUSA-N 0 3 379.460 3.889 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnn(CN3CCCN(Cc4ccccc4)CC3)c2)c1 ZINC000777951890 934358300 /nfs/dbraw/zinc/35/83/00/934358300.db2.gz MKFPLZKXNHRYFJ-UHFFFAOYSA-N 0 3 391.475 3.624 20 5 GHBDHN COc1cccc([C@@H]2[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000778010254 934621203 /nfs/dbraw/zinc/62/12/03/934621203.db2.gz PFROZBNQJDPOGX-PKOBYXMFSA-N 0 3 393.447 3.641 20 5 GHBDHN O=[N+]([O-])c1nc(Br)ccc1OC1CCN(Cc2ccccc2)CC1 ZINC001227256101 1032344225 /nfs/dbraw/zinc/34/42/25/1032344225.db2.gz BVDVBXFBHJQVIN-UHFFFAOYSA-N 0 3 392.253 3.796 20 5 GHBDHN C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC001221495238 1032436072 /nfs/dbraw/zinc/43/60/72/1032436072.db2.gz BHEZBRIIIOEBDO-INIZCTEOSA-N 0 3 396.491 3.792 20 5 GHBDHN Cc1cc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc([N+](=O)[O-])c1 ZINC000557936681 1017076740 /nfs/dbraw/zinc/07/67/40/1017076740.db2.gz MTTYHMHMMGOLSE-FQEVSTJZSA-N 0 3 385.464 3.723 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000562887407 1018757239 /nfs/dbraw/zinc/75/72/39/1018757239.db2.gz VOXWTNYRIDRBEO-ACJLOTCBSA-N 0 3 391.468 3.634 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576851443 1020078229 /nfs/dbraw/zinc/07/82/29/1020078229.db2.gz TUYPICWYQVWCLU-AXNOTKAXSA-N 0 3 397.475 3.863 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000802680162 1021522312 /nfs/dbraw/zinc/52/23/12/1021522312.db2.gz UGPGHEFJYXNBJX-MRXNPFEDSA-N 0 3 382.247 3.934 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000802680160 1021522469 /nfs/dbraw/zinc/52/24/69/1021522469.db2.gz UGPGHEFJYXNBJX-INIZCTEOSA-N 0 3 382.247 3.934 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCSCC3)CC2)c(C(F)(F)F)c1 ZINC001204783235 1033088318 /nfs/dbraw/zinc/08/83/18/1033088318.db2.gz DPPJDWFFQWPUAD-UHFFFAOYSA-N 0 3 389.443 3.879 20 5 GHBDHN Cc1cc([C@H](N)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(Cl)n1 ZINC000831486220 1024597263 /nfs/dbraw/zinc/59/72/63/1024597263.db2.gz OVDIXUUDYVWLQM-QGZVFWFLSA-N 0 3 388.855 3.533 20 5 GHBDHN COCCN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccc(Cl)cc1 ZINC001163385424 1026170730 /nfs/dbraw/zinc/17/07/30/1026170730.db2.gz MFFHPTBXXIPZSH-QGZVFWFLSA-N 0 3 378.860 3.683 20 5 GHBDHN COC(=O)c1cc(CO[C@@H]2CCCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001223688490 1030706141 /nfs/dbraw/zinc/70/61/41/1030706141.db2.gz NETHPBZYZWLKFU-HXUWFJFHSA-N 0 3 384.432 3.563 20 5 GHBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCN(CC2CCCCC2)CC1 ZINC001223993055 1030843189 /nfs/dbraw/zinc/84/31/89/1030843189.db2.gz MPNXZDVMBCZLFR-UHFFFAOYSA-N 0 3 394.903 3.656 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@H]3CNCCC3(F)F)cc(C(F)(F)F)c2c1 ZINC001218451126 1030940771 /nfs/dbraw/zinc/94/07/71/1030940771.db2.gz CVHKQYBLOLDIKT-LBPRGKRZSA-N 0 3 377.269 3.538 20 5 GHBDHN COc1cc(Br)c(O[C@H]2CNCc3ccccc32)c([N+](=O)[O-])c1 ZINC001218485217 1030956374 /nfs/dbraw/zinc/95/63/74/1030956374.db2.gz FFIWXHMUDPUCEK-HNNXBMFYSA-N 0 3 379.210 3.589 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC001219316034 1031352465 /nfs/dbraw/zinc/35/24/65/1031352465.db2.gz VAKXJYLBZBGZIZ-GOSISDBHSA-N 0 3 398.463 3.952 20 5 GHBDHN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001230248119 1033961149 /nfs/dbraw/zinc/96/11/49/1033961149.db2.gz XNRAKIUQIDAZHQ-BTYIYWSLSA-N 0 3 383.448 3.843 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001207669603 1034520629 /nfs/dbraw/zinc/52/06/29/1034520629.db2.gz HSODIJZTZOWTSU-VHUCWBOISA-N 0 3 375.469 3.939 20 5 GHBDHN O=C(N[C@@]12CCN(C1)CCC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001462286074 1070143878 /nfs/dbraw/zinc/14/38/78/1070143878.db2.gz WZTISDYWMQNSSI-FQEVSTJZSA-N 0 3 383.473 3.714 20 5 GHBDHN C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233506102 1039396925 /nfs/dbraw/zinc/39/69/25/1039396925.db2.gz LWCLQUVODNTGGS-VXGBXAGGSA-N 0 3 387.827 3.734 20 5 GHBDHN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233506102 1039396932 /nfs/dbraw/zinc/39/69/32/1039396932.db2.gz LWCLQUVODNTGGS-VXGBXAGGSA-N 0 3 387.827 3.734 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](CO)c3ccccc3Cl)CC2)cc1 ZINC001254470941 1040256496 /nfs/dbraw/zinc/25/64/96/1040256496.db2.gz XSRPWTQITQXCII-LJQANCHMSA-N 0 3 375.856 3.540 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254561683 1040335028 /nfs/dbraw/zinc/33/50/28/1040335028.db2.gz IGPAFPVRUYZFJS-INIZCTEOSA-N 0 3 389.496 3.859 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1COc3ccc(Br)cc31)C2 ZINC001254579823 1040355624 /nfs/dbraw/zinc/35/56/24/1040355624.db2.gz VPRRQPASZQFYPX-BBRMVZONSA-N 0 3 375.222 3.548 20 5 GHBDHN Cc1cc([C@H](C)N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ncc1Br ZINC001254588653 1040362112 /nfs/dbraw/zinc/36/21/12/1040362112.db2.gz HGRKYCLALOTMLX-SMDDNHRTSA-N 0 3 376.254 3.879 20 5 GHBDHN Cc1cc([C@H](C)N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ncc1Br ZINC001254588652 1040362675 /nfs/dbraw/zinc/36/26/75/1040362675.db2.gz HGRKYCLALOTMLX-FZMZJTMJSA-N 0 3 376.254 3.879 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC(Oc3cnc4ccccc4n3)CC1)C2 ZINC001254606413 1040379066 /nfs/dbraw/zinc/37/90/66/1040379066.db2.gz FJVQCOLRGBKZLM-SFHVURJKSA-N 0 3 390.443 3.549 20 5 GHBDHN O=C(OCc1ccccc1)[C@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610613 1040382513 /nfs/dbraw/zinc/38/25/13/1040382513.db2.gz LTPNYLWWNDBAOZ-RXVVDRJESA-N 0 3 380.444 3.517 20 5 GHBDHN C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC001293470985 1044199824 /nfs/dbraw/zinc/19/98/24/1044199824.db2.gz RMKMPZWZERBMJQ-LBPRGKRZSA-N 0 3 379.819 3.638 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001264259437 1047284495 /nfs/dbraw/zinc/28/44/95/1047284495.db2.gz PLGXREWXZQXJAO-UHFFFAOYSA-N 0 3 389.883 3.771 20 5 GHBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001303273066 1047334756 /nfs/dbraw/zinc/33/47/56/1047334756.db2.gz PXECTPUSJDKMHZ-VQTJNVASSA-N 0 3 394.475 3.516 20 5 GHBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001303273064 1047335086 /nfs/dbraw/zinc/33/50/86/1047335086.db2.gz PXECTPUSJDKMHZ-PMACEKPBSA-N 0 3 394.475 3.516 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC001306840027 1048922955 /nfs/dbraw/zinc/92/29/55/1048922955.db2.gz MYAGGOPRUSBGQO-CJNGLKHVSA-N 0 3 377.416 3.505 20 5 GHBDHN CCC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1CCOC ZINC001307592605 1049430185 /nfs/dbraw/zinc/43/01/85/1049430185.db2.gz OYXBPXBCPUZLHL-OAHLLOKOSA-N 0 3 390.311 3.834 20 5 GHBDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC001307745960 1049557172 /nfs/dbraw/zinc/55/71/72/1049557172.db2.gz FMGOQDKAPKDPJF-IGCXYCKISA-N 0 3 381.448 3.858 20 5 GHBDHN CCCCO[C@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001307759452 1049572446 /nfs/dbraw/zinc/57/24/46/1049572446.db2.gz ZJGUQKDMBXWWND-CVEARBPZSA-N 0 3 383.876 3.760 20 5 GHBDHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC001307914138 1049691842 /nfs/dbraw/zinc/69/18/42/1049691842.db2.gz JQIJWAPKESMWGS-GOSISDBHSA-N 0 3 387.411 3.908 20 5 GHBDHN COc1cc(CNC[C@H](OC)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308285907 1049937677 /nfs/dbraw/zinc/93/76/77/1049937677.db2.gz RLVQIAKKULZIAP-HNNXBMFYSA-N 0 3 394.390 3.695 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(CC(F)(F)F)cc3)C2)nc1 ZINC001308572630 1050014712 /nfs/dbraw/zinc/01/47/12/1050014712.db2.gz AGJNHLLHCZCVHA-OAHLLOKOSA-N 0 3 380.370 3.781 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](ONC(=O)OC(C)(C)C)C(C)C ZINC001308826237 1050109559 /nfs/dbraw/zinc/10/95/59/1050109559.db2.gz VOOPDJWJCYHEDP-QGZVFWFLSA-N 0 3 381.473 3.782 20 5 GHBDHN COc1ccc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345370629 1055010342 /nfs/dbraw/zinc/01/03/42/1055010342.db2.gz LUMOXWVSWFJYGM-HOCLYGCPSA-N 0 3 384.436 3.560 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC001345606415 1055148158 /nfs/dbraw/zinc/14/81/58/1055148158.db2.gz POEYGNCWTWZHJB-RBBKRZOGSA-N 0 3 392.459 3.540 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001440745682 1058606348 /nfs/dbraw/zinc/60/63/48/1058606348.db2.gz LCXAENUOHUDLND-UHFFFAOYSA-N 0 3 394.431 3.653 20 5 GHBDHN Cc1cc(F)cc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)c1[N+](=O)[O-] ZINC001449375077 1060394342 /nfs/dbraw/zinc/39/43/42/1060394342.db2.gz RBVQLZPRKPUEBT-UHFFFAOYSA-N 0 3 394.406 3.553 20 5 GHBDHN C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC001457563021 1063247409 /nfs/dbraw/zinc/24/74/09/1063247409.db2.gz ZCWSXNQZSMRSSB-INIZCTEOSA-N 0 3 382.464 3.943 20 5 GHBDHN CC1(C)CN(C2(CNc3ncnc4ccc([N+](=O)[O-])cc43)CCCCC2)CCO1 ZINC001458172749 1063628427 /nfs/dbraw/zinc/62/84/27/1063628427.db2.gz GNOOGKNWCHIIMP-UHFFFAOYSA-N 0 3 399.495 3.764 20 5 GHBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001459895356 1064261133 /nfs/dbraw/zinc/26/11/33/1064261133.db2.gz WWPIDOFOLWWHPB-CZUORRHYSA-N 0 3 385.258 3.569 20 5 GHBDHN CC(C)c1ccc(C(=O)N(CCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC001353592934 1066069567 /nfs/dbraw/zinc/06/95/67/1066069567.db2.gz KFWBRLQAKBYYGA-UHFFFAOYSA-N 0 3 383.492 3.965 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)N1CCN(CC2CCCCC2)CC1 ZINC001467069385 1067047725 /nfs/dbraw/zinc/04/77/25/1067047725.db2.gz VVQYOMVGLNPCOX-UHFFFAOYSA-N 0 3 397.479 3.873 20 5 GHBDHN Cc1c(NC(=O)N(CCN(C)C)C(C)C)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001467398965 1067274759 /nfs/dbraw/zinc/27/47/59/1067274759.db2.gz GXIQRJDPIQVDCI-UHFFFAOYSA-N 0 3 376.379 3.726 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001470376426 1068708476 /nfs/dbraw/zinc/70/84/76/1068708476.db2.gz QNPSLVABMWJKHT-IAGOWNOFSA-N 0 3 384.480 3.518 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@H]1Cc1ccccc1F ZINC001460359476 1068940873 /nfs/dbraw/zinc/94/08/73/1068940873.db2.gz YQGPVGSWNWACDC-ZWKOTPCHSA-N 0 3 388.439 3.571 20 5 GHBDHN Cc1c(NC(=O)CCN2CCN([C@H](C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001460709693 1069110039 /nfs/dbraw/zinc/11/00/39/1069110039.db2.gz XIONAYWUECJKOD-GOSISDBHSA-N 0 3 396.491 3.611 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001470776319 1072732274 /nfs/dbraw/zinc/73/22/74/1072732274.db2.gz GYLFFPHPPXJDHL-FOIQADDNSA-N 0 3 381.476 3.852 20 5 GHBDHN O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC001471063658 1072910651 /nfs/dbraw/zinc/91/06/51/1072910651.db2.gz PSSCYURZFQISNX-KRWDZBQOSA-N 0 3 385.439 3.909 20 5 GHBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001471688012 1073180919 /nfs/dbraw/zinc/18/09/19/1073180919.db2.gz YMJMTBRIZCFFQB-OALUTQOASA-N 0 3 381.432 3.696 20 5 GHBDHN CCN(CC)[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccsc1 ZINC001472655360 1073598821 /nfs/dbraw/zinc/59/88/21/1073598821.db2.gz JNRRIFKAQOXPII-LLVKDONJSA-N 0 3 391.419 3.904 20 5 GHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001473853049 1074176853 /nfs/dbraw/zinc/17/68/53/1074176853.db2.gz BJFYXXUKFKLWHZ-XHSDSOJGSA-N 0 3 375.469 3.845 20 5 GHBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001473871473 1074183993 /nfs/dbraw/zinc/18/39/93/1074183993.db2.gz WNFYVZXYVITZLD-UONOGXRCSA-N 0 3 383.286 3.996 20 5 GHBDHN COc1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1OC ZINC001474088366 1074259730 /nfs/dbraw/zinc/25/97/30/1074259730.db2.gz BPOKFGMAPQKKFM-UHFFFAOYSA-N 0 3 380.828 3.606 20 5 GHBDHN COc1cc(OC)cc(N2CCCN(Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC001474373283 1074370418 /nfs/dbraw/zinc/37/04/18/1074370418.db2.gz DRKQQLARRJJMST-UHFFFAOYSA-N 0 3 399.491 3.941 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1Cl ZINC001474628395 1074489910 /nfs/dbraw/zinc/48/99/10/1074489910.db2.gz DTNMFVCNDXNWOW-MRXNPFEDSA-N 0 3 396.274 3.897 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825125497 608493443 /nfs/dbraw/zinc/49/34/43/608493443.db2.gz CNWHPXOFKSJABK-XJKSGUPXSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825125497 608493445 /nfs/dbraw/zinc/49/34/45/608493445.db2.gz CNWHPXOFKSJABK-XJKSGUPXSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000581903991 837748115 /nfs/dbraw/zinc/74/81/15/837748115.db2.gz WCRAFOCACVVXDZ-BXUZGUMPSA-N 0 3 397.378 3.648 20 5 GHBDHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000583503914 834511122 /nfs/dbraw/zinc/51/11/22/834511122.db2.gz VVMRUUBILQBIAL-AUSJPIAWSA-N 0 3 385.439 3.617 20 5 GHBDHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000583503915 834511391 /nfs/dbraw/zinc/51/13/91/834511391.db2.gz VVMRUUBILQBIAL-AVYPCKFXSA-N 0 3 385.439 3.617 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H](O)c3ccccc3F)o2)c([N+](=O)[O-])c1 ZINC000102423904 835371150 /nfs/dbraw/zinc/37/11/50/835371150.db2.gz PTBKHNSHEGKQAP-IBGZPJMESA-N 0 3 386.379 3.826 20 5 GHBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179417243 835683516 /nfs/dbraw/zinc/68/35/16/835683516.db2.gz OPGJERBVWZRVHC-UHFFFAOYSA-N 0 3 399.472 3.719 20 5 GHBDHN CCC(=O)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000134532614 835773037 /nfs/dbraw/zinc/77/30/37/835773037.db2.gz WTPOAXFOXBFNAY-GFCCVEGCSA-N 0 3 377.828 3.609 20 5 GHBDHN COc1ccc(NC(=O)CCNC2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000411469941 836185381 /nfs/dbraw/zinc/18/53/81/836185381.db2.gz NHJBLYLWWJEHQJ-UHFFFAOYSA-N 0 3 389.839 3.864 20 5 GHBDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000065937245 836279101 /nfs/dbraw/zinc/27/91/01/836279101.db2.gz FLUFMFHQGWGSPS-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000175371840 836301643 /nfs/dbraw/zinc/30/16/43/836301643.db2.gz VFEHOAVMZVKUDK-HAWMADMCSA-N 0 3 376.478 3.794 20 5 GHBDHN COC1(C(F)(F)F)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000419344126 844172047 /nfs/dbraw/zinc/17/20/47/844172047.db2.gz FCCBIVYULDSWSV-UHFFFAOYSA-N 0 3 399.369 3.836 20 5 GHBDHN Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1nc(CN)c2ccccc21 ZINC001167696754 837027492 /nfs/dbraw/zinc/02/74/92/837027492.db2.gz KAKJGOLTRGZUNQ-UHFFFAOYSA-N 0 3 394.822 3.811 20 5 GHBDHN COc1cc(CNCC[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000181247206 837895498 /nfs/dbraw/zinc/89/54/98/837895498.db2.gz UWPWVKVJVLNCCT-CYBMUJFWSA-N 0 3 392.374 3.593 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535693457 844297286 /nfs/dbraw/zinc/29/72/86/844297286.db2.gz BVNRUXWNPFZLIV-LJQANCHMSA-N 0 3 378.432 3.643 20 5 GHBDHN C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000452319031 838746780 /nfs/dbraw/zinc/74/67/80/838746780.db2.gz DEPXNAMCEJEXKS-GFCCVEGCSA-N 0 3 385.386 3.560 20 5 GHBDHN COCCO[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000549409467 838754495 /nfs/dbraw/zinc/75/44/95/838754495.db2.gz HQYKZNRYQGGWOZ-HNNXBMFYSA-N 0 3 376.478 3.951 20 5 GHBDHN Cc1cccc(N2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000104663808 838834874 /nfs/dbraw/zinc/83/48/74/838834874.db2.gz OISKETBIDZUOMO-UHFFFAOYSA-N 0 3 392.459 3.923 20 5 GHBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc2c(c1)OCO2 ZINC000104663028 838835149 /nfs/dbraw/zinc/83/51/49/838835149.db2.gz ADKNNEQFCPJBGL-UHFFFAOYSA-N 0 3 381.388 3.653 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000023741374 838841811 /nfs/dbraw/zinc/84/18/11/838841811.db2.gz MMVMCTUXMVLDDX-LJQANCHMSA-N 0 3 385.489 3.884 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2sccc2Br)n1 ZINC000447578208 839396403 /nfs/dbraw/zinc/39/64/03/839396403.db2.gz DKAOALROIGTDRP-RYUDHWBXSA-N 0 3 385.287 3.889 20 5 GHBDHN COc1ccc([C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000122391528 839497758 /nfs/dbraw/zinc/49/77/58/839497758.db2.gz VVBSBJQQESYLGO-JJMMYFGJSA-N 0 3 395.459 3.570 20 5 GHBDHN CC(C)(C)N1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000050629067 840543743 /nfs/dbraw/zinc/54/37/43/840543743.db2.gz YYXXOIHDENSMNK-UHFFFAOYSA-N 0 3 388.493 3.665 20 5 GHBDHN CS(=O)(=O)Nc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417320348 840719733 /nfs/dbraw/zinc/71/97/33/840719733.db2.gz JMLVRHRASODVOM-IBGZPJMESA-N 0 3 389.477 3.524 20 5 GHBDHN Cc1sc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000061288075 861221821 /nfs/dbraw/zinc/22/18/21/861221821.db2.gz QFSDQAKHGPRXNK-UHFFFAOYSA-N 0 3 391.518 3.808 20 5 GHBDHN C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CCN(c2ccccc2)CC1 ZINC000603853727 861274792 /nfs/dbraw/zinc/27/47/92/861274792.db2.gz LCRGKUUZPIKISB-QGZVFWFLSA-N 0 3 391.475 3.766 20 5 GHBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000600230526 861317165 /nfs/dbraw/zinc/31/71/65/861317165.db2.gz TUQPPOWJXPBNSE-SFHVURJKSA-N 0 3 394.475 3.794 20 5 GHBDHN C[C@H]1C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471808322 842634445 /nfs/dbraw/zinc/63/44/45/842634445.db2.gz DTPJTHZIFPJWDY-CMPLNLGQSA-N 0 3 381.226 3.572 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c2ccncc21 ZINC000302770092 861355600 /nfs/dbraw/zinc/35/56/00/861355600.db2.gz BTILPXJOHREBIH-SFHVURJKSA-N 0 3 392.459 3.846 20 5 GHBDHN COc1ccc([C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)N2CCCC2)cc1 ZINC000302867536 861391978 /nfs/dbraw/zinc/39/19/78/861391978.db2.gz ZNCSINMHJHFHTG-FQEVSTJZSA-N 0 3 382.464 3.820 20 5 GHBDHN CCc1cc(NC[C@H](c2cccs2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000603937393 861418104 /nfs/dbraw/zinc/41/81/04/861418104.db2.gz QZYWBLMFLXVPDH-QGZVFWFLSA-N 0 3 397.504 3.812 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000513248917 845119102 /nfs/dbraw/zinc/11/91/02/845119102.db2.gz KGAFFOAQSUHACO-LPHOPBHVSA-N 0 3 399.516 3.856 20 5 GHBDHN C/C(=C\C(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785099944 845229020 /nfs/dbraw/zinc/22/90/20/845229020.db2.gz ZNAIZHZBPWUKAG-FBMGVBCBSA-N 0 3 379.460 3.733 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@]2(O)CCCc3ccccc32)c1 ZINC000731360941 861588383 /nfs/dbraw/zinc/58/83/83/861588383.db2.gz QRSOTVVPZRCZSI-IBGZPJMESA-N 0 3 378.375 3.510 20 5 GHBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433988789 845695156 /nfs/dbraw/zinc/69/51/56/845695156.db2.gz TXBWZVWGFPIABG-KRWDZBQOSA-N 0 3 399.495 3.644 20 5 GHBDHN CC[C@H]1C[C@@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421367779 846179230 /nfs/dbraw/zinc/17/92/30/846179230.db2.gz AAIUPJLSKBWUTN-STQMWFEESA-N 0 3 392.374 3.592 20 5 GHBDHN COc1cc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)ccc1[N+](=O)[O-] ZINC000502543775 846182314 /nfs/dbraw/zinc/18/23/14/846182314.db2.gz DBGXHILFOARSIS-LJQANCHMSA-N 0 3 376.840 3.748 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000157964457 846286981 /nfs/dbraw/zinc/28/69/81/846286981.db2.gz GGEYZTZTKCVUCI-CQSZACIVSA-N 0 3 387.484 3.843 20 5 GHBDHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421765831 846569445 /nfs/dbraw/zinc/56/94/45/846569445.db2.gz ANKPEHVPPWHMFR-IBGZPJMESA-N 0 3 396.491 3.733 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000511138595 847400028 /nfs/dbraw/zinc/40/00/28/847400028.db2.gz OFWNWQIBLWFELT-HNNXBMFYSA-N 0 3 399.274 3.816 20 5 GHBDHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1Cc1ccccc1 ZINC000611713204 848268613 /nfs/dbraw/zinc/26/86/13/848268613.db2.gz ZXRHDVBGECAKQX-CVEARBPZSA-N 0 3 377.448 3.637 20 5 GHBDHN COc1ccc(-c2ccc(CN3CC[C@@H](Oc4ccncc4)C3)o2)c([N+](=O)[O-])c1 ZINC000435055762 850030043 /nfs/dbraw/zinc/03/00/43/850030043.db2.gz JVSNOTXURVJWKO-GOSISDBHSA-N 0 3 395.415 3.912 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000487193378 850550578 /nfs/dbraw/zinc/55/05/78/850550578.db2.gz ZHYZJPTWYIRQJE-FZKQIMNGSA-N 0 3 375.856 3.978 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000515389716 850958255 /nfs/dbraw/zinc/95/82/55/850958255.db2.gz KCKPWRRIQCAJDU-GOSISDBHSA-N 0 3 386.839 3.762 20 5 GHBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436136523 851247090 /nfs/dbraw/zinc/24/70/90/851247090.db2.gz HPYXMCSVEAWRMX-CVEARBPZSA-N 0 3 377.488 3.532 20 5 GHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000029178511 852584633 /nfs/dbraw/zinc/58/46/33/852584633.db2.gz TYGSQMLMZXRCAS-OAQYLSRUSA-N 0 3 396.491 3.740 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000516854967 853071396 /nfs/dbraw/zinc/07/13/96/853071396.db2.gz GKJQUHOFVMPSNL-LJQANCHMSA-N 0 3 399.466 3.647 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnn(CCCN3CCN(c4ccccc4)CC3)c2)c1 ZINC000506438797 853090442 /nfs/dbraw/zinc/09/04/42/853090442.db2.gz LCWUAFRKKLKPSU-UHFFFAOYSA-N 0 3 391.475 3.671 20 5 GHBDHN CCN(CCOC)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506478655 853257466 /nfs/dbraw/zinc/25/74/66/853257466.db2.gz TZXRMSBKMGSFEV-UHFFFAOYSA-N 0 3 380.448 3.916 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000506110907 853447175 /nfs/dbraw/zinc/44/71/75/853447175.db2.gz XUOCCMGBFZLSCA-OAHLLOKOSA-N 0 3 379.526 3.947 20 5 GHBDHN COc1ccc(CN2CCC[C@](C)(O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129580267 853794774 /nfs/dbraw/zinc/79/47/74/853794774.db2.gz WWNWGKJYDAEQKP-NRFANRHFSA-N 0 3 386.448 3.529 20 5 GHBDHN CN1C[C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590447655 855424526 /nfs/dbraw/zinc/42/45/26/855424526.db2.gz ZKXMXNNQRFLLAA-PBHICJAKSA-N 0 3 383.473 3.522 20 5 GHBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@@H]2C1 ZINC000590447109 855424619 /nfs/dbraw/zinc/42/46/19/855424619.db2.gz YHZHURSNVARJPO-HNAYVOBHSA-N 0 3 383.473 3.522 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(c3cccc(Cl)c3)C2)cc1 ZINC000542696601 855477746 /nfs/dbraw/zinc/47/77/46/855477746.db2.gz SSAOCUPCPQPAGZ-UHFFFAOYSA-N 0 3 394.880 3.558 20 5 GHBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441819706 856829088 /nfs/dbraw/zinc/82/90/88/856829088.db2.gz KZOOHQUSQUXQOJ-CQSZACIVSA-N 0 3 383.473 3.713 20 5 GHBDHN CO[C@](C)(CNCc1cc(Cl)ccc1[N+](=O)[O-])COCc1ccccc1 ZINC000702820787 856997273 /nfs/dbraw/zinc/99/72/73/856997273.db2.gz JLGZXUKMIBHHJU-LJQANCHMSA-N 0 3 378.856 3.960 20 5 GHBDHN CC(C)N(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592693952 857026954 /nfs/dbraw/zinc/02/69/54/857026954.db2.gz DQKUERLFLYSIAD-NRFANRHFSA-N 0 3 381.476 3.649 20 5 GHBDHN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@@H]1C ZINC000485896120 857184668 /nfs/dbraw/zinc/18/46/68/857184668.db2.gz VEEQTQUJVYHTDE-ZWKOTPCHSA-N 0 3 391.515 3.534 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000438952367 857832908 /nfs/dbraw/zinc/83/29/08/857832908.db2.gz XOVPPRYMSDCTNL-PBHICJAKSA-N 0 3 387.867 3.807 20 5 GHBDHN COc1cc(CN[C@@H](C)Cc2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594517590 858206732 /nfs/dbraw/zinc/20/67/32/858206732.db2.gz KJTKWXFUMRMZEC-LBPRGKRZSA-N 0 3 399.369 3.660 20 5 GHBDHN CO[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCOC1 ZINC000594950118 858343516 /nfs/dbraw/zinc/34/35/16/858343516.db2.gz INNQDFAGGTUMKK-XIKOKIGWSA-N 0 3 380.828 3.649 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000595032026 858374343 /nfs/dbraw/zinc/37/43/43/858374343.db2.gz GFLIALYCYSDJQD-MQIPJXDCSA-N 0 3 376.375 3.738 20 5 GHBDHN CCS(=O)(=O)C1(CN[C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000595105900 858407384 /nfs/dbraw/zinc/40/73/84/858407384.db2.gz UFOWVJLOVGQLTP-ZDUSSCGKSA-N 0 3 394.518 3.941 20 5 GHBDHN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1F ZINC000521924084 858448876 /nfs/dbraw/zinc/44/88/76/858448876.db2.gz CSCCKDFPUYJWAG-NSHDSACASA-N 0 3 377.347 3.522 20 5 GHBDHN Cc1cc(N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1[N+](=O)[O-] ZINC000856536127 881347140 /nfs/dbraw/zinc/34/71/40/881347140.db2.gz ONNWXQPNVLOBAL-HXUWFJFHSA-N 0 3 384.480 3.796 20 5 GHBDHN COc1ccc(C[C@@H](C)NCc2cn(Cc3ccccc3F)cn2)c([N+](=O)[O-])c1 ZINC001170321360 881355749 /nfs/dbraw/zinc/35/57/49/881355749.db2.gz ATNNLKYVSSOKKH-OAHLLOKOSA-N 0 3 398.438 3.708 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(CC)CC ZINC000429348681 859109366 /nfs/dbraw/zinc/10/93/66/859109366.db2.gz KSTMCIOGUQPOBP-MORSLUCNSA-N 0 3 393.484 3.504 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000596912202 859166957 /nfs/dbraw/zinc/16/69/57/859166957.db2.gz DRUCZTUEITZMFL-UHFFFAOYSA-N 0 3 397.479 3.586 20 5 GHBDHN C[C@H]1CN(CCC2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000509394572 859301691 /nfs/dbraw/zinc/30/16/91/859301691.db2.gz ZBXARHURDWESQI-GJZGRUSLSA-N 0 3 397.466 3.584 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000466529865 859880530 /nfs/dbraw/zinc/88/05/30/859880530.db2.gz PEHXGBPJHSUTRX-APWZRJJASA-N 0 3 396.491 3.792 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000154251719 860035929 /nfs/dbraw/zinc/03/59/29/860035929.db2.gz BLWBPFQKPFXOLX-QAPCUYQASA-N 0 3 389.496 3.825 20 5 GHBDHN CC(C)c1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000598062491 860036106 /nfs/dbraw/zinc/03/61/06/860036106.db2.gz PHIJQROZNLJKEG-UHFFFAOYSA-N 0 3 396.491 3.755 20 5 GHBDHN Cc1ccccc1C1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602521426 860073814 /nfs/dbraw/zinc/07/38/14/860073814.db2.gz OFZGWMNZOBPXJX-UHFFFAOYSA-N 0 3 381.432 3.882 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000602567923 860119635 /nfs/dbraw/zinc/11/96/35/860119635.db2.gz HBMJUVYIOOCWJB-NOZJJQNGSA-N 0 3 393.328 3.563 20 5 GHBDHN Cn1cc(CN2CC[C@@H](Nc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092757628 860121681 /nfs/dbraw/zinc/12/16/81/860121681.db2.gz WEIXIXHXUJXISZ-LJQANCHMSA-N 0 3 377.448 3.682 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)[C@@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000598986484 860700812 /nfs/dbraw/zinc/70/08/12/860700812.db2.gz BCGDKSRBYFTMEV-APWZRJJASA-N 0 3 392.839 3.670 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H](c2cccc(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000598998112 860717548 /nfs/dbraw/zinc/71/75/48/860717548.db2.gz NMQKJTGETDGUEI-NRFANRHFSA-N 0 3 386.448 3.942 20 5 GHBDHN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000480060212 863965068 /nfs/dbraw/zinc/96/50/68/863965068.db2.gz RWOWDLOITMEITG-HXUWFJFHSA-N 0 3 396.491 3.709 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2CCO[C@H]2C2CC2)cc1OC ZINC000494444333 881732160 /nfs/dbraw/zinc/73/21/60/881732160.db2.gz LQGLZJKKZFRNTN-OWZDWXTDSA-N 0 3 378.469 3.685 20 5 GHBDHN Cc1ccc(C2=CCN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 ZINC000735305673 864718436 /nfs/dbraw/zinc/71/84/36/864718436.db2.gz BQUGFEBIOUASQK-UHFFFAOYSA-N 0 3 393.443 3.991 20 5 GHBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792934095 881825485 /nfs/dbraw/zinc/82/54/85/881825485.db2.gz LFXIOZDFQLIQEK-XJKSGUPXSA-N 0 3 376.840 3.758 20 5 GHBDHN O=[N+]([O-])c1cc(CN2CCC[C@H](c3c[nH]c4ncccc34)C2)c2c(c1)COCO2 ZINC000829040904 865381459 /nfs/dbraw/zinc/38/14/59/865381459.db2.gz UDYQXPLTMKYCIQ-AWEZNQCLSA-N 0 3 394.431 3.717 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740882844 866071751 /nfs/dbraw/zinc/07/17/51/866071751.db2.gz LLYKJFDDSYYZOI-MORSLUCNSA-N 0 3 395.887 3.712 20 5 GHBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183157272 866284915 /nfs/dbraw/zinc/28/49/15/866284915.db2.gz NNIKZXFBLPMVET-CABCVRRESA-N 0 3 393.447 3.767 20 5 GHBDHN Cc1c(NC(=O)CCN2CC[C@@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000183356671 866641357 /nfs/dbraw/zinc/64/13/57/866641357.db2.gz MMIAQYHLRCAYGW-QGZVFWFLSA-N 0 3 387.411 3.524 20 5 GHBDHN C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)OC(C)(C)C ZINC000793217951 882015609 /nfs/dbraw/zinc/01/56/09/882015609.db2.gz SYDLFTLXUTVEDF-ZDUSSCGKSA-N 0 3 375.425 3.858 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-n2cccn2)c1 ZINC000183566694 866856260 /nfs/dbraw/zinc/85/62/60/866856260.db2.gz RYBPLSVPKCLRJD-ZDUSSCGKSA-N 0 3 399.838 3.723 20 5 GHBDHN CC[C@](C)(COc1ncccc1Cl)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662657 867033728 /nfs/dbraw/zinc/03/37/28/867033728.db2.gz NNVHGBRNVPFDPY-GOSISDBHSA-N 0 3 389.843 3.857 20 5 GHBDHN CC1(C)CCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000457061323 867593245 /nfs/dbraw/zinc/59/32/45/867593245.db2.gz SYYUDOAUAWVDLN-UHFFFAOYSA-N 0 3 399.441 3.564 20 5 GHBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1OC ZINC000479900001 868669251 /nfs/dbraw/zinc/66/92/51/868669251.db2.gz JAQLARXBEMNNOR-LYRGGWFBSA-N 0 3 383.876 3.759 20 5 GHBDHN C[C@H]1C[C@H](CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000491240484 868704292 /nfs/dbraw/zinc/70/42/92/868704292.db2.gz ZXAWUPHIGXDWNO-UONOGXRCSA-N 0 3 387.402 3.551 20 5 GHBDHN C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183983160 868859973 /nfs/dbraw/zinc/85/99/73/868859973.db2.gz RZLOCVRBAPLRAA-QAPCUYQASA-N 0 3 385.439 3.618 20 5 GHBDHN CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)N1CCc2ccccc2C1 ZINC000446496979 869933006 /nfs/dbraw/zinc/93/30/06/869933006.db2.gz WAGXLRQBRHYHOX-GOSISDBHSA-N 0 3 382.464 3.862 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000920753218 882355793 /nfs/dbraw/zinc/35/57/93/882355793.db2.gz QHVIDQSBPOUPDD-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN C[C@H]1CN(C)CCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538729012 870450673 /nfs/dbraw/zinc/45/06/73/870450673.db2.gz LCAHUVSJOVURLQ-KRWDZBQOSA-N 0 3 391.475 3.583 20 5 GHBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746358068 870539806 /nfs/dbraw/zinc/53/98/06/870539806.db2.gz YSERYCNQOLTTLX-KVDXNUTJSA-N 0 3 379.460 3.731 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000540189982 870682790 /nfs/dbraw/zinc/68/27/90/870682790.db2.gz YRWAIASPFROQHX-SCLBCKFNSA-N 0 3 387.411 3.955 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540375419 871108880 /nfs/dbraw/zinc/10/88/80/871108880.db2.gz HOIPKBYHQSDDMW-IAQYHMDHSA-N 0 3 385.247 3.992 20 5 GHBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1OCc1ccccc1 ZINC000540434231 871302369 /nfs/dbraw/zinc/30/23/69/871302369.db2.gz UXEFLXDIVMUVMJ-QGZVFWFLSA-N 0 3 393.443 3.686 20 5 GHBDHN CCC[C@]1(COC)CCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000447390234 871521607 /nfs/dbraw/zinc/52/16/07/871521607.db2.gz FLITUXFICABNHH-GOSISDBHSA-N 0 3 388.411 3.986 20 5 GHBDHN CC(C)[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC001194193524 871549667 /nfs/dbraw/zinc/54/96/67/871549667.db2.gz USCQXTQTFJSQKX-RBUKOAKNSA-N 0 3 391.855 3.535 20 5 GHBDHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)N(C)C)c1 ZINC000462116670 871646893 /nfs/dbraw/zinc/64/68/93/871646893.db2.gz PLEQEZQYNZZHKD-INIZCTEOSA-N 0 3 381.379 3.920 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462167781 871729245 /nfs/dbraw/zinc/72/92/45/871729245.db2.gz CFFNKIPIRITNMJ-QFBILLFUSA-N 0 3 381.476 3.770 20 5 GHBDHN COc1cc([C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000447553849 871785474 /nfs/dbraw/zinc/78/54/74/871785474.db2.gz XYNPQYCGRIOFTC-KUHUBIRLSA-N 0 3 386.448 3.703 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000182170627 871938155 /nfs/dbraw/zinc/93/81/55/871938155.db2.gz IUQOTOQZZYAOSV-IBGZPJMESA-N 0 3 378.428 3.714 20 5 GHBDHN C[C@@H]1CCCN(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447681706 872091394 /nfs/dbraw/zinc/09/13/94/872091394.db2.gz QSJCOMZBQQTXTK-SNVBAGLBSA-N 0 3 382.333 3.788 20 5 GHBDHN CC1(C)C[C@H](NCCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc21 ZINC000552333663 872461736 /nfs/dbraw/zinc/46/17/36/872461736.db2.gz LGHXPRAZKAKTSY-HNNXBMFYSA-N 0 3 379.258 3.566 20 5 GHBDHN C[C@@H](C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182536089 872520952 /nfs/dbraw/zinc/52/09/52/872520952.db2.gz OQGNZEULKSKZJI-FOIQADDNSA-N 0 3 385.439 3.791 20 5 GHBDHN CCN(Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@H]1CCOC1 ZINC000463029904 873838936 /nfs/dbraw/zinc/83/89/36/873838936.db2.gz GAJXMLZGEADPGT-IBGZPJMESA-N 0 3 386.448 3.793 20 5 GHBDHN C[C@H](C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000541610574 873946887 /nfs/dbraw/zinc/94/68/87/873946887.db2.gz ORKXZIFRFQWWDU-YQQAZPJKSA-N 0 3 385.439 3.789 20 5 GHBDHN Cn1c2ccccc2nc1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464785108 874491198 /nfs/dbraw/zinc/49/11/98/874491198.db2.gz LVEIGAMERFQUPE-UHFFFAOYSA-N 0 3 380.448 3.567 20 5 GHBDHN COc1ccc(CN2CCCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000450236049 876134133 /nfs/dbraw/zinc/13/41/33/876134133.db2.gz ZWQCRROCSYICLR-UHFFFAOYSA-N 0 3 392.459 3.864 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000850433373 876916210 /nfs/dbraw/zinc/91/62/10/876916210.db2.gz LOTJQTGOOUGMJV-LSDHHAIUSA-N 0 3 393.484 3.901 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179783046 878016372 /nfs/dbraw/zinc/01/63/72/878016372.db2.gz PHVSLBACSICEJZ-MRXNPFEDSA-N 0 3 393.390 3.951 20 5 GHBDHN C[C@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788593822 878191976 /nfs/dbraw/zinc/19/19/76/878191976.db2.gz RWMZOSOFZIPOIY-HNNXBMFYSA-N 0 3 385.464 3.723 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000538237795 879099553 /nfs/dbraw/zinc/09/95/53/879099553.db2.gz LQAMWVNTHGAAJZ-HNNXBMFYSA-N 0 3 379.526 3.946 20 5 GHBDHN Cc1cnc(COC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000789670487 879185861 /nfs/dbraw/zinc/18/58/61/879185861.db2.gz FKXKANRHPJNTRE-UHFFFAOYSA-N 0 3 383.448 3.562 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 ZINC000068936190 879282225 /nfs/dbraw/zinc/28/22/25/879282225.db2.gz UFPWPYWVKCWWFE-HNNXBMFYSA-N 0 3 391.493 3.567 20 5 GHBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@H]2C1 ZINC000493343004 879388657 /nfs/dbraw/zinc/38/86/57/879388657.db2.gz AZUKXSJWAYIVAY-QRWLVFNGSA-N 0 3 397.500 3.912 20 5 GHBDHN CN(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccc(Cl)cc1 ZINC000531334081 879641404 /nfs/dbraw/zinc/64/14/04/879641404.db2.gz HOSMIQSLUSHLFD-GOSISDBHSA-N 0 3 388.855 3.848 20 5 GHBDHN CCOc1cc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000493910007 879710720 /nfs/dbraw/zinc/71/07/20/879710720.db2.gz YCSKVUIJLSVGDP-QFBILLFUSA-N 0 3 378.375 3.892 20 5 GHBDHN COc1ccc(OC(=O)C2CCN(c3ccc(C(C)C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000792118456 880910568 /nfs/dbraw/zinc/91/05/68/880910568.db2.gz OHZRCTIRHSWZCK-QGZVFWFLSA-N 0 3 398.415 3.685 20 5 GHBDHN CN(C)c1ccc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000792240152 880999425 /nfs/dbraw/zinc/99/94/25/880999425.db2.gz MURVTUPSKVAVRB-UHFFFAOYSA-N 0 3 382.464 3.654 20 5 GHBDHN CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000520365538 881083683 /nfs/dbraw/zinc/08/36/83/881083683.db2.gz RQCFMTDEZAGMPI-LJQANCHMSA-N 0 3 394.475 3.516 20 5 GHBDHN COc1cc(CN(C)CCSC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537625484 881240225 /nfs/dbraw/zinc/24/02/25/881240225.db2.gz JDAPRTYDXDDLBD-UHFFFAOYSA-N 0 3 376.478 3.977 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(n2cc(Br)cn2)CC1 ZINC000537626994 881328053 /nfs/dbraw/zinc/32/80/53/881328053.db2.gz MUFHPRZDTUCCPG-HWKANZROSA-N 0 3 391.269 3.904 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000064350086 883163494 /nfs/dbraw/zinc/16/34/94/883163494.db2.gz RQKYGQIERYNFAR-GOSISDBHSA-N 0 3 378.856 3.899 20 5 GHBDHN O=C(CN1CCC[C@H]1CCCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001168157100 883371676 /nfs/dbraw/zinc/37/16/76/883371676.db2.gz WKJZVLSOGRAYQL-HXUWFJFHSA-N 0 3 393.487 3.971 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2cccc(F)c2)C1 ZINC000609767310 883623719 /nfs/dbraw/zinc/62/37/19/883623719.db2.gz XDFJCQNQOWKORU-HNNXBMFYSA-N 0 3 385.395 3.521 20 5 GHBDHN C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CO1 ZINC000565596415 883670275 /nfs/dbraw/zinc/67/02/75/883670275.db2.gz JFGGDNDDENHCST-QWRGUYRKSA-N 0 3 381.226 3.884 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000609857249 883737698 /nfs/dbraw/zinc/73/76/98/883737698.db2.gz FAZUHGSTIDHXFY-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1[C@@H]1CCOC1 ZINC000860855353 885054654 /nfs/dbraw/zinc/05/46/54/885054654.db2.gz YCZGDHCBEBQFBC-KHYOSLBOSA-N 0 3 390.411 3.769 20 5 GHBDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000495369172 885539761 /nfs/dbraw/zinc/53/97/61/885539761.db2.gz ONJCNBLOHDYCLK-NHYWBVRUSA-N 0 3 384.274 3.806 20 5 GHBDHN COc1cccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])N2CCCC2)c1 ZINC000301076789 886456550 /nfs/dbraw/zinc/45/65/50/886456550.db2.gz PZZPRSHJRPOINF-OAHLLOKOSA-N 0 3 387.465 3.562 20 5 GHBDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000193698721 887262343 /nfs/dbraw/zinc/26/23/43/887262343.db2.gz OTRBHCZGCOOJID-SGTLLEGYSA-N 0 3 389.839 3.655 20 5 GHBDHN COc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])ccc1OC(=O)C1CC1 ZINC000809688972 887708068 /nfs/dbraw/zinc/70/80/68/887708068.db2.gz SKSDYRMYLQISQQ-UHFFFAOYSA-N 0 3 384.432 3.593 20 5 GHBDHN Cc1cc(N2CCC[C@@H](NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)n(C)n1 ZINC000811495545 889647970 /nfs/dbraw/zinc/64/79/70/889647970.db2.gz DQDNOGQHFSDACD-CQSZACIVSA-N 0 3 398.294 3.702 20 5 GHBDHN C[C@@H]1CN(C(C)(C)CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000811472941 889657314 /nfs/dbraw/zinc/65/73/14/889657314.db2.gz MZXWZQSHFLMIOY-TXEJJXNPSA-N 0 3 390.311 3.879 20 5 GHBDHN COc1cc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1 ZINC000533249557 890092837 /nfs/dbraw/zinc/09/28/37/890092837.db2.gz BVLLNJGBBABTIJ-UHFFFAOYSA-N 0 3 397.431 3.942 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000123095436 890339802 /nfs/dbraw/zinc/33/98/02/890339802.db2.gz PNYVBEBYZULWMU-UHFFFAOYSA-N 0 3 396.491 3.577 20 5 GHBDHN Cc1nc([C@@H]2CCOC2)sc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870453841 890361678 /nfs/dbraw/zinc/36/16/78/890361678.db2.gz FETGGIRYEZIKKH-ZOWXZIJZSA-N 0 3 394.424 3.658 20 5 GHBDHN CCN1CCN(Cc2ccccc2CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001184829911 913468084 /nfs/dbraw/zinc/46/80/84/913468084.db2.gz HFUYHNBVJJEILJ-UHFFFAOYSA-N 0 3 388.899 3.998 20 5 GHBDHN O=[N+]([O-])c1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])c1 ZINC000795197918 891111145 /nfs/dbraw/zinc/11/11/45/891111145.db2.gz HHXWHONHZPPESP-UHFFFAOYSA-N 0 3 388.346 3.720 20 5 GHBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000813111962 891305072 /nfs/dbraw/zinc/30/50/72/891305072.db2.gz YFEWVVBELRUWEZ-LBPRGKRZSA-N 0 3 379.796 3.750 20 5 GHBDHN CC([C@H](OC(=O)Cn1nc(C(F)F)cc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000873544093 891676653 /nfs/dbraw/zinc/67/66/53/891676653.db2.gz CJADZKKZPDPJRS-BTDLBPIBSA-N 0 3 397.353 3.787 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000813823139 891996482 /nfs/dbraw/zinc/99/64/82/891996482.db2.gz FWAZWRNGAONLOM-KIXLUETGSA-N 0 3 379.460 3.777 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN(CCC3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000814622177 892972741 /nfs/dbraw/zinc/97/27/41/892972741.db2.gz SRSHLZBBHNIPNC-UHFFFAOYSA-N 0 3 387.402 3.552 20 5 GHBDHN CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001134556150 893077275 /nfs/dbraw/zinc/07/72/75/893077275.db2.gz NZPNHKNSHPTCLK-HNNXBMFYSA-N 0 3 377.510 3.844 20 5 GHBDHN CC[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000542611387 893411784 /nfs/dbraw/zinc/41/17/84/893411784.db2.gz FGGRMBWTUJCBCC-YJBOKZPZSA-N 0 3 399.466 3.791 20 5 GHBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000564712505 895202760 /nfs/dbraw/zinc/20/27/60/895202760.db2.gz OMKJTDPDFDAHLS-OAHLLOKOSA-N 0 3 389.883 3.942 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@H](O)c2cc(F)ccc2F)cc(C(F)(F)F)c1 ZINC000819269176 896554808 /nfs/dbraw/zinc/55/48/08/896554808.db2.gz DKIPTOLYCJIYNY-HNNXBMFYSA-N 0 3 376.281 3.715 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CSc3ccc(Br)cc32)cc1 ZINC000819271364 896558938 /nfs/dbraw/zinc/55/89/38/896558938.db2.gz QYTSPWSWRZWODL-HUUCEWRRSA-N 0 3 395.278 3.827 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000883265163 897422034 /nfs/dbraw/zinc/42/20/34/897422034.db2.gz UBTPPHJEMHYNER-GDBMZVCRSA-N 0 3 380.510 3.943 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000571647810 899935522 /nfs/dbraw/zinc/93/55/22/899935522.db2.gz RAXRRFDUYDABGA-UHFFFAOYSA-N 0 3 387.436 3.705 20 5 GHBDHN CN(C)CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C1CCCC1 ZINC001144196712 901238288 /nfs/dbraw/zinc/23/82/88/901238288.db2.gz AJIBZEBSMKNGHP-UHFFFAOYSA-N 0 3 392.258 3.987 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576065489 901639728 /nfs/dbraw/zinc/63/97/28/901639728.db2.gz ZQSHINNMQVIAKK-GRDNDAEWSA-N 0 3 391.493 3.914 20 5 GHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000125790044 902251163 /nfs/dbraw/zinc/25/11/63/902251163.db2.gz DCYHQKXHRHPUGJ-UHFFFAOYSA-N 0 3 389.452 3.578 20 5 GHBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000576975184 902398872 /nfs/dbraw/zinc/39/88/72/902398872.db2.gz MQSADVJJRDPYKY-KRWDZBQOSA-N 0 3 375.473 3.622 20 5 GHBDHN COc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])ccc1OC(F)F ZINC000845873649 902475084 /nfs/dbraw/zinc/47/50/84/902475084.db2.gz VOFVOTWEAHDFKR-QFYYESIMSA-N 0 3 399.321 3.999 20 5 GHBDHN COc1cc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc(OC)c1 ZINC000845873790 902475325 /nfs/dbraw/zinc/47/53/25/902475325.db2.gz WCVOCDMHDLRACE-XCLFUZPHSA-N 0 3 391.395 3.725 20 5 GHBDHN CC([C@@H](OC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872965 902476933 /nfs/dbraw/zinc/47/69/33/902476933.db2.gz AZGUXJKBWXZOTO-BLLLJJGKSA-N 0 3 398.431 3.769 20 5 GHBDHN CCOC(=O)C1CCC(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845881343 902485568 /nfs/dbraw/zinc/48/55/68/902485568.db2.gz LVEOBKJKXLKKOR-URGFFDDHSA-N 0 3 395.427 3.835 20 5 GHBDHN CC([C@@H](OC(=O)c1sc(N(C)C)nc1Cl)c1ccccc1F)[N+](=O)[O-] ZINC000845883832 902486234 /nfs/dbraw/zinc/48/62/34/902486234.db2.gz WHVPDYRZQOQFGG-GZMMTYOYSA-N 0 3 387.820 3.565 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC2(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000847060696 903439162 /nfs/dbraw/zinc/43/91/62/903439162.db2.gz BIDJPZWXOVFFDQ-INIZCTEOSA-N 0 3 382.338 3.806 20 5 GHBDHN CCC[C@H](N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151903229 904211373 /nfs/dbraw/zinc/21/13/73/904211373.db2.gz OEHCDFAOLJUWRK-KUHUBIRLSA-N 0 3 391.493 3.695 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903144 905924691 /nfs/dbraw/zinc/92/46/91/905924691.db2.gz FPFYOFNIJGJALA-YTQUADARSA-N 0 3 387.480 3.536 20 5 GHBDHN CC(C)(C)OC(=O)NCC1(C)CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913607 905983667 /nfs/dbraw/zinc/98/36/67/905983667.db2.gz SSOGGRMPDIWYAE-QGZVFWFLSA-N 0 3 389.496 3.689 20 5 GHBDHN COc1ccccc1CN1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914151 905986786 /nfs/dbraw/zinc/98/67/86/905986786.db2.gz DFCLJAJZKLPOSI-NRFANRHFSA-N 0 3 395.503 3.669 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CCOc3c(F)cccc32)c1F ZINC001173176512 906252666 /nfs/dbraw/zinc/25/26/66/906252666.db2.gz HPURIVSNIJGPHR-ABAIWWIYSA-N 0 3 378.375 3.926 20 5 GHBDHN CCCCCCN1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173190954 906271059 /nfs/dbraw/zinc/27/10/59/906271059.db2.gz YDEXQGYKEQPWHQ-INIZCTEOSA-N 0 3 381.492 3.871 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001173220770 906297902 /nfs/dbraw/zinc/29/79/02/906297902.db2.gz CFSGBYMTAXMOBA-YWZLYKJASA-N 0 3 375.469 3.611 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001173222412 906301864 /nfs/dbraw/zinc/30/18/64/906301864.db2.gz RMPXHFHFTZELTJ-GPWPYBQESA-N 0 3 375.469 3.515 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001173230716 906315018 /nfs/dbraw/zinc/31/50/18/906315018.db2.gz ZVGASETUJDARJD-CVEARBPZSA-N 0 3 377.485 3.857 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173231744 906316302 /nfs/dbraw/zinc/31/63/02/906316302.db2.gz CWSWCIJFJDFGNO-INMHGKMJSA-N 0 3 377.485 3.761 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173233832 906320005 /nfs/dbraw/zinc/32/00/05/906320005.db2.gz ZKNVJDBIAFDLOX-RKVPGOIHSA-N 0 3 377.485 3.761 20 5 GHBDHN CCC[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000178287247 906322741 /nfs/dbraw/zinc/32/27/41/906322741.db2.gz WSQRSSUZQSDLBS-LJQANCHMSA-N 0 3 376.478 3.770 20 5 GHBDHN CCOC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000189797533 908376469 /nfs/dbraw/zinc/37/64/69/908376469.db2.gz LKBUGOMTWCLJFO-ABAIWWIYSA-N 0 3 391.390 3.591 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CCC4(CCOCC4)CO3)o2)c1 ZINC001179468816 909542029 /nfs/dbraw/zinc/54/20/29/909542029.db2.gz PWZVKQZTPPZFHV-SFHVURJKSA-N 0 3 386.448 3.920 20 5 GHBDHN COc1c(O)ccc(CN2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001182902845 912129546 /nfs/dbraw/zinc/12/95/46/912129546.db2.gz SQODAEHWDRCJKC-LJQANCHMSA-N 0 3 399.491 3.651 20 5 GHBDHN Cc1cc(N2CCC(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000291471368 915200970 /nfs/dbraw/zinc/20/09/70/915200970.db2.gz DYSNTVSJUVQBQB-UHFFFAOYSA-N 0 3 384.267 3.692 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCNC2=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294045305 916548149 /nfs/dbraw/zinc/54/81/49/916548149.db2.gz GIMCCMRBBHETDE-UONOGXRCSA-N 0 3 383.452 3.509 20 5 GHBDHN CN(C)CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000116123741 919498206 /nfs/dbraw/zinc/49/82/06/919498206.db2.gz UWJSGCOGSFMTED-UHFFFAOYSA-N 0 3 392.253 3.566 20 5 GHBDHN CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000116590725 919511681 /nfs/dbraw/zinc/51/16/81/919511681.db2.gz ACBFCIXMCZYBSK-IBGZPJMESA-N 0 3 396.491 3.694 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000117334710 919537468 /nfs/dbraw/zinc/53/74/68/919537468.db2.gz RSMPWSAKSSZFRW-QGZVFWFLSA-N 0 3 385.395 3.869 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000800396357 920024964 /nfs/dbraw/zinc/02/49/64/920024964.db2.gz WXALJQAKLZOYGH-JKSUJKDBSA-N 0 3 393.237 3.504 20 5 GHBDHN COc1ccc(CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC2CC2)c(OC)c1 ZINC000800501704 920196545 /nfs/dbraw/zinc/19/65/45/920196545.db2.gz XYPNLUDEIXPUNN-HXUWFJFHSA-N 0 3 386.448 3.558 20 5 GHBDHN Cc1cn2c(n1)[C@H](CNCc1csc(-c3cccc([N+](=O)[O-])c3)n1)CCC2 ZINC000371067234 924413962 /nfs/dbraw/zinc/41/39/62/924413962.db2.gz CDORXZWTXDIAPJ-HNNXBMFYSA-N 0 3 383.477 3.890 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC000411116865 926080174 /nfs/dbraw/zinc/08/01/74/926080174.db2.gz XTZHVMNJEDMXDV-UHFFFAOYSA-N 0 3 379.507 3.582 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000752352446 928787839 /nfs/dbraw/zinc/78/78/39/928787839.db2.gz GXMMNXZTGALFKA-FQEVSTJZSA-N 0 3 382.416 3.802 20 5 GHBDHN C/C(=C/C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000752518477 928862915 /nfs/dbraw/zinc/86/29/15/928862915.db2.gz RIBJIAZIAQNYRE-SSZFMOIBSA-N 0 3 395.459 3.594 20 5 GHBDHN C[C@@H](C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544399671 929132687 /nfs/dbraw/zinc/13/26/87/929132687.db2.gz PHJQQWDXRIOKSA-APWZRJJASA-N 0 3 399.466 3.960 20 5 GHBDHN CSc1ccc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467696733 929312076 /nfs/dbraw/zinc/31/20/76/929312076.db2.gz JOUHELFJYBWHNQ-PBHICJAKSA-N 0 3 385.489 3.710 20 5 GHBDHN CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757111458 929650190 /nfs/dbraw/zinc/65/01/90/929650190.db2.gz QQSKKNRYSQFXKG-CRAIPNDOSA-N 0 3 393.484 3.599 20 5 GHBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000783240718 931471821 /nfs/dbraw/zinc/47/18/21/931471821.db2.gz OXVNTLFKIHJWHC-QFYYESIMSA-N 0 3 383.217 3.881 20 5 GHBDHN C/C(=C/C(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000783993073 931744064 /nfs/dbraw/zinc/74/40/64/931744064.db2.gz DWBKENGLHZLLAR-PEZBUJJGSA-N 0 3 385.439 3.728 20 5 GHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000557989778 931790192 /nfs/dbraw/zinc/79/01/92/931790192.db2.gz PKAJMBJENKTBFR-FQEVSTJZSA-N 0 3 384.480 3.529 20 5 GHBDHN O=C(CCN[C@@H]1CCOc2c(Cl)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000558572779 932081018 /nfs/dbraw/zinc/08/10/18/932081018.db2.gz RJNCPVIASKARLN-CQSZACIVSA-N 0 3 375.812 3.690 20 5 GHBDHN CN1CCN(c2ccc(N[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000777609934 932337160 /nfs/dbraw/zinc/33/71/60/932337160.db2.gz HLYZLJUFSGSQDZ-OAQYLSRUSA-N 0 3 380.492 3.780 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N(C)C)cc1 ZINC000559283591 932577637 /nfs/dbraw/zinc/57/76/37/932577637.db2.gz PQWSWFVJPVDCFX-KRWDZBQOSA-N 0 3 395.381 3.955 20 5 GHBDHN CCCN(C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000560708921 933483757 /nfs/dbraw/zinc/48/37/57/933483757.db2.gz OEKNWANFYKYFJV-IBGZPJMESA-N 0 3 389.883 3.990 20 5 GHBDHN CC[C@@H](C)N[C@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)c1ccco1 ZINC000561359012 934079627 /nfs/dbraw/zinc/07/96/27/934079627.db2.gz RYKLXSNSDSKHAO-ZYHUDNBSSA-N 0 3 397.273 3.617 20 5 GHBDHN CC[C@H](C)N[C@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)c1ccco1 ZINC000561359009 934079784 /nfs/dbraw/zinc/07/97/84/934079784.db2.gz RYKLXSNSDSKHAO-CMPLNLGQSA-N 0 3 397.273 3.617 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000828737266 935697003 /nfs/dbraw/zinc/69/70/03/935697003.db2.gz KORHGBFGPGXEIP-SCLBCKFNSA-N 0 3 375.856 3.978 20 5 GHBDHN Nc1ccc(-c2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)cc1[N+](=O)[O-] ZINC000544931519 1015233900 /nfs/dbraw/zinc/23/39/00/1015233900.db2.gz PLFFLLLNRQKNPR-OAHLLOKOSA-N 0 3 397.410 3.746 20 5 GHBDHN COc1cc(OC)cc(N2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000468146723 1015333162 /nfs/dbraw/zinc/33/31/62/1015333162.db2.gz WCHZTACDFRDGBK-INIZCTEOSA-N 0 3 385.464 3.885 20 5 GHBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000558396096 1017191716 /nfs/dbraw/zinc/19/17/16/1017191716.db2.gz DKMMRKGQUFGRKO-HOTGVXAUSA-N 0 3 381.860 3.514 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cccc2ccccc21 ZINC000558741482 1017276761 /nfs/dbraw/zinc/27/67/61/1017276761.db2.gz JGDLMONLFPLQAC-HXUWFJFHSA-N 0 3 380.444 3.662 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cccc2ccccc21 ZINC000558741480 1017276896 /nfs/dbraw/zinc/27/68/96/1017276896.db2.gz JGDLMONLFPLQAC-FQEVSTJZSA-N 0 3 380.444 3.662 20 5 GHBDHN C[C@@H]([C@H](Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21)c1ccccc1)[NH+]1CCCC1 ZINC001228240805 1032857970 /nfs/dbraw/zinc/85/79/70/1032857970.db2.gz UNXYDOFYIVIGES-LIRRHRJNSA-N 0 3 394.431 3.848 20 5 GHBDHN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCCN1C1CCCC1 ZINC000576656287 1020048864 /nfs/dbraw/zinc/04/88/64/1020048864.db2.gz RLNWESQMYAYDHL-HNNXBMFYSA-N 0 3 382.258 3.703 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)c(Cl)nc1-n1cncc1CNCc1ccccc1 ZINC001156482876 1033058513 /nfs/dbraw/zinc/05/85/13/1033058513.db2.gz YAVOCQXXEANHDU-UHFFFAOYSA-N 0 3 378.219 3.772 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000754272809 1022575843 /nfs/dbraw/zinc/57/58/43/1022575843.db2.gz ZBUDWASRPXPQSX-JQIJEIRASA-N 0 3 385.439 3.728 20 5 GHBDHN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc2ccccc2s1 ZINC000754707384 1022845913 /nfs/dbraw/zinc/84/59/13/1022845913.db2.gz UUJKSEOTOPPLJF-LBPRGKRZSA-N 0 3 398.444 3.853 20 5 GHBDHN CC(C)(C)N1CCN[C@@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001205025211 1033218368 /nfs/dbraw/zinc/21/83/68/1033218368.db2.gz KSVOWRHCGZLIOW-QGZVFWFLSA-N 0 3 388.475 3.578 20 5 GHBDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000838787784 1025366964 /nfs/dbraw/zinc/36/69/64/1025366964.db2.gz JPBOQVSFFOHEGS-UHFFFAOYSA-N 0 3 382.873 3.905 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000839160885 1025667096 /nfs/dbraw/zinc/66/70/96/1025667096.db2.gz VSCIBIXCTBLMED-HXUWFJFHSA-N 0 3 392.402 3.697 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001461051924 1069361754 /nfs/dbraw/zinc/36/17/54/1069361754.db2.gz IIZQIQOQVABACG-APWZRJJASA-N 0 3 397.500 3.663 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(COC[C@@H]3CN(Cc4ccccc4)CCCO3)nc2c1 ZINC001222930750 1030355035 /nfs/dbraw/zinc/35/50/35/1030355035.db2.gz ZSTVJPPSQMNFJT-SFHVURJKSA-N 0 3 397.431 3.544 20 5 GHBDHN C[C@@H]1OC[C@]2(CC[C@@H](CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)O2)[C@H]1C ZINC001461766402 1069733678 /nfs/dbraw/zinc/73/36/78/1069733678.db2.gz LUXUHAMTFRUBHT-PVLSJSCWSA-N 0 3 386.448 3.917 20 5 GHBDHN C[C@@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001230216223 1033947792 /nfs/dbraw/zinc/94/77/92/1033947792.db2.gz CGRYBKDUMJSFDU-JFIYKMOQSA-N 0 3 382.464 3.618 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)ccc1[N+](=O)[O-] ZINC001207137747 1034121059 /nfs/dbraw/zinc/12/10/59/1034121059.db2.gz IOXVRYKTVMOSKE-DZGCQCFKSA-N 0 3 390.440 3.837 20 5 GHBDHN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@H](C)CN1Cc1ccccc1 ZINC001158521884 1034125457 /nfs/dbraw/zinc/12/54/57/1034125457.db2.gz PMWMATQOMHJDQG-HZPDHXFCSA-N 0 3 377.448 3.637 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC001207685944 1034527252 /nfs/dbraw/zinc/52/72/52/1034527252.db2.gz ZHGQFAFPIHDEIJ-OAHLLOKOSA-N 0 3 383.876 3.983 20 5 GHBDHN CCN(C)c1ncnc2c1CCN(Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232221448 1035169379 /nfs/dbraw/zinc/16/93/79/1035169379.db2.gz ZKNQHCPUBHVSNN-UHFFFAOYSA-N 0 3 398.514 3.630 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCN[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810336 1037645347 /nfs/dbraw/zinc/64/53/47/1037645347.db2.gz KNFXOHKMUYEING-IFXJQAMLSA-N 0 3 389.883 3.834 20 5 GHBDHN O=[N+]([O-])c1ccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001233701784 1039548471 /nfs/dbraw/zinc/54/84/71/1039548471.db2.gz GTHUNRDHPDEJAI-IGOJGBNBSA-N 0 3 383.404 3.792 20 5 GHBDHN COCCN1CCC(Oc2c(Br)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC001233789460 1039620099 /nfs/dbraw/zinc/62/00/99/1039620099.db2.gz WQHWHTUIWYITCP-UHFFFAOYSA-N 0 3 393.665 3.500 20 5 GHBDHN CCOc1ccc([C@@H](C)NCc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001253957153 1039922261 /nfs/dbraw/zinc/92/22/61/1039922261.db2.gz WBROAUPVVZYPHO-QGZVFWFLSA-N 0 3 398.507 3.596 20 5 GHBDHN CC(C)(C)OC(=O)Nc1ccc(OC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC001234536563 1040110127 /nfs/dbraw/zinc/11/01/27/1040110127.db2.gz XWKIMZQBCURBHJ-UHFFFAOYSA-N 0 3 377.441 3.947 20 5 GHBDHN COc1cc2c(cc1OC)CN(C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254478808 1040267095 /nfs/dbraw/zinc/26/70/95/1040267095.db2.gz JXMBMDQTMWHNDN-UHFFFAOYSA-N 0 3 397.475 3.639 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001254551763 1040318554 /nfs/dbraw/zinc/31/85/54/1040318554.db2.gz FIDTZGXKKFCLCG-HJWJTTGWSA-N 0 3 375.469 3.513 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001254562104 1040333984 /nfs/dbraw/zinc/33/39/84/1040333984.db2.gz JOMGSMFDMRTEHZ-DGCLKSJQSA-N 0 3 384.358 3.807 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@@]1(C)CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612377 1040384682 /nfs/dbraw/zinc/38/46/82/1040384682.db2.gz VSUGXHPETBLRIQ-WIYYLYMNSA-N 0 3 389.496 3.689 20 5 GHBDHN COc1cc(N2CCC(NCc3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-] ZINC001256083021 1041514311 /nfs/dbraw/zinc/51/43/11/1041514311.db2.gz MJMKMJADWXRHRO-UHFFFAOYSA-N 0 3 398.488 3.972 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308022786 1049774113 /nfs/dbraw/zinc/77/41/13/1049774113.db2.gz RXCRLZLUWNQZEY-WBVHZDCISA-N 0 3 375.469 3.816 20 5 GHBDHN COC[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(Cl)cc1 ZINC001308772473 1050088995 /nfs/dbraw/zinc/08/89/95/1050088995.db2.gz UJPHRUQQUXCAAJ-CYBMUJFWSA-N 0 3 375.812 3.909 20 5 GHBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)N(C)Cc1ccccc1 ZINC001311021499 1051779218 /nfs/dbraw/zinc/77/92/18/1051779218.db2.gz VRMBMIYUNPIIHY-OAHLLOKOSA-N 0 3 393.447 3.785 20 5 GHBDHN C[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001312253727 1052662081 /nfs/dbraw/zinc/66/20/81/1052662081.db2.gz LWLUVPHXNALMJC-LMMKCTJWSA-N 0 3 396.491 3.661 20 5 GHBDHN CC([C@H](OC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1F)[N+](=O)[O-] ZINC001345037583 1054866626 /nfs/dbraw/zinc/86/66/26/1054866626.db2.gz SKVJIZCFCMKZCB-DJJJIMSYSA-N 0 3 399.378 3.758 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)N2CCCC2)cc1 ZINC001318835537 1054907463 /nfs/dbraw/zinc/90/74/63/1054907463.db2.gz DWJFWRRQKZYDPN-NRFANRHFSA-N 0 3 394.475 3.766 20 5 GHBDHN Cn1nc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001474744591 1055614594 /nfs/dbraw/zinc/61/45/94/1055614594.db2.gz MJLOWJXPTKRAPS-DOMZBBRYSA-N 0 3 382.386 3.848 20 5 GHBDHN COCCO[C@@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320700027 1055933505 /nfs/dbraw/zinc/93/35/05/1055933505.db2.gz XDQWZUDNJFCPQL-CQSZACIVSA-N 0 3 380.828 3.746 20 5 GHBDHN CC[C@@H](C)N[C@H](CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001458373376 1063770336 /nfs/dbraw/zinc/77/03/36/1063770336.db2.gz RMXLRQDVFPLPBV-CXAGYDPISA-N 0 3 384.436 3.708 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458631122 1063910142 /nfs/dbraw/zinc/91/01/42/1063910142.db2.gz NFACRMCWVZWIRA-LAUBAEHRSA-N 0 3 393.487 3.653 20 5 GHBDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCCC2 ZINC001460064775 1064391252 /nfs/dbraw/zinc/39/12/52/1064391252.db2.gz KQNKELFFAKHMTK-SJORKVTESA-N 0 3 395.887 3.904 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001464091996 1064815130 /nfs/dbraw/zinc/81/51/30/1064815130.db2.gz BWBFZYVHDOZONI-RTWAWAEBSA-N 0 3 395.503 3.944 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001353473912 1065965836 /nfs/dbraw/zinc/96/58/36/1065965836.db2.gz HZSBFNJOJVSFTH-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(OCC(F)(F)F)o1)c1ccccc1F)[N+](=O)[O-] ZINC000847737215 1065996333 /nfs/dbraw/zinc/99/63/33/1065996333.db2.gz LXECPNGFUOKQCJ-XPTSAGLGSA-N 0 3 391.273 3.923 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001357631837 1067207252 /nfs/dbraw/zinc/20/72/52/1067207252.db2.gz RPIOSEFQULUCQU-PXNSSMCTSA-N 0 3 393.487 3.968 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(Cc3cc(F)cc(F)c3)CC2)cc1 ZINC001460100864 1068782858 /nfs/dbraw/zinc/78/28/58/1068782858.db2.gz DWPKZEZUIQDKRJ-FQEVSTJZSA-N 0 3 376.403 3.861 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001470776322 1072732375 /nfs/dbraw/zinc/73/23/75/1072732375.db2.gz GYLFFPHPPXJDHL-MGPUTAFESA-N 0 3 381.476 3.852 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001470780594 1072736690 /nfs/dbraw/zinc/73/66/90/1072736690.db2.gz TWTNYLMFZRDJCL-IDZYALCFSA-N 0 3 393.487 3.725 20 5 GHBDHN O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC001471063659 1072910948 /nfs/dbraw/zinc/91/09/48/1072910948.db2.gz PSSCYURZFQISNX-QGZVFWFLSA-N 0 3 385.439 3.909 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)OC2(CCCCC2)C1 ZINC001473596972 1074039868 /nfs/dbraw/zinc/03/98/68/1074039868.db2.gz FFHWXCUAUXZIDH-INIZCTEOSA-N 0 3 375.469 3.655 20 5 GHBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001473871472 1074184219 /nfs/dbraw/zinc/18/42/19/1074184219.db2.gz WNFYVZXYVITZLD-KGLIPLIRSA-N 0 3 383.286 3.996 20 5 GHBDHN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824547589 607816880 /nfs/dbraw/zinc/81/68/80/607816880.db2.gz QEDGXWXMMCEAFH-QOKNQOGYSA-N 0 3 392.463 3.837 20 5 GHBDHN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824547589 607816881 /nfs/dbraw/zinc/81/68/81/607816881.db2.gz QEDGXWXMMCEAFH-QOKNQOGYSA-N 0 3 392.463 3.837 20 5 GHBDHN CCOCCO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000180788292 837547318 /nfs/dbraw/zinc/54/73/18/837547318.db2.gz DPKJDTRSQJNPFH-KRWDZBQOSA-N 0 3 376.478 3.951 20 5 GHBDHN COc1cc(CNCC2(OC)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000181089338 837824796 /nfs/dbraw/zinc/82/47/96/837824796.db2.gz LALPXRFWKHYXMN-UHFFFAOYSA-N 0 3 386.448 3.841 20 5 GHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000433360510 844051218 /nfs/dbraw/zinc/05/12/18/844051218.db2.gz GDXMJTSDUFTOEU-YWZLYKJASA-N 0 3 394.431 3.501 20 5 GHBDHN COc1ccccc1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000411183969 836082019 /nfs/dbraw/zinc/08/20/19/836082019.db2.gz STJIHALMKPYZRI-UHFFFAOYSA-N 0 3 399.447 3.605 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](NC2CCN(c3cccnn3)CC2)c2ccccc2)c1 ZINC000375935400 836264641 /nfs/dbraw/zinc/26/46/41/836264641.db2.gz VLVZLWBMIFUFMQ-QFIPXVFZSA-N 0 3 389.459 3.733 20 5 GHBDHN COCCN(CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000472432629 836272012 /nfs/dbraw/zinc/27/20/12/836272012.db2.gz PYPURMSJFQAOGF-CYBMUJFWSA-N 0 3 386.374 3.520 20 5 GHBDHN COc1ccc(F)cc1[C@@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179953884 836464341 /nfs/dbraw/zinc/46/43/41/836464341.db2.gz LJRPLOZJLALPFM-CYBMUJFWSA-N 0 3 375.400 3.730 20 5 GHBDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC000275423638 837019208 /nfs/dbraw/zinc/01/92/08/837019208.db2.gz DTYPEOANLCANTP-FXAWDEMLSA-N 0 3 382.420 3.598 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180393283 837221374 /nfs/dbraw/zinc/22/13/74/837221374.db2.gz JVUQBCVDEKHONN-RISCZKNCSA-N 0 3 385.247 3.992 20 5 GHBDHN C[C@H](NC[C@H](O)COc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180393265 837221876 /nfs/dbraw/zinc/22/18/76/837221876.db2.gz JVUQBCVDEKHONN-FZMZJTMJSA-N 0 3 385.247 3.992 20 5 GHBDHN COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000500955979 844306794 /nfs/dbraw/zinc/30/67/94/844306794.db2.gz FQTTXQJAGHWOFY-QGZVFWFLSA-N 0 3 399.447 3.778 20 5 GHBDHN C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000190050443 838914977 /nfs/dbraw/zinc/91/49/77/838914977.db2.gz KBLDOJDBKBNJHP-IERDGZPVSA-N 0 3 392.459 3.650 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000047453128 844466880 /nfs/dbraw/zinc/46/68/80/844466880.db2.gz SVCGDTDXTXJQPO-UHFFFAOYSA-N 0 3 382.464 3.899 20 5 GHBDHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000412159634 839843763 /nfs/dbraw/zinc/84/37/63/839843763.db2.gz PGKDURVLAHHFBZ-VOQZNFBZSA-N 0 3 393.487 3.821 20 5 GHBDHN C[C@H](c1ccncc1)N1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000119277632 840019218 /nfs/dbraw/zinc/01/92/18/840019218.db2.gz JITSJEGLZIOEDG-CQSZACIVSA-N 0 3 395.463 3.512 20 5 GHBDHN COc1ccc(OCCN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000119351079 840348826 /nfs/dbraw/zinc/34/88/26/840348826.db2.gz IETCXPQRBMBFCP-UHFFFAOYSA-N 0 3 396.447 3.515 20 5 GHBDHN C[C@@H]1CN(c2ccc(CN[C@H]3CCCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000417320408 840719954 /nfs/dbraw/zinc/71/99/54/840719954.db2.gz JQANHQCMMKGWOC-IERDGZPVSA-N 0 3 396.491 3.772 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(CN3CCOCC3)c1)CCCC2 ZINC000417323704 840723420 /nfs/dbraw/zinc/72/34/20/840723420.db2.gz OVIRTMKCKPCKFW-QHCPKHFHSA-N 0 3 395.503 3.984 20 5 GHBDHN CS(=O)(=O)Nc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417340858 840750014 /nfs/dbraw/zinc/75/00/14/840750014.db2.gz MYIUUNAWIUJSSJ-IBGZPJMESA-N 0 3 389.477 3.524 20 5 GHBDHN CN(C(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000511856476 840970133 /nfs/dbraw/zinc/97/01/33/840970133.db2.gz XNPDSDQTHHGLHC-NJDAHSKKSA-N 0 3 379.460 3.826 20 5 GHBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000302167901 861226391 /nfs/dbraw/zinc/22/63/91/861226391.db2.gz SIXALJSYTPEMMX-CJNGLKHVSA-N 0 3 395.385 3.899 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000512140392 842622245 /nfs/dbraw/zinc/62/22/45/842622245.db2.gz WHGJFGXJLIFVSN-AWEZNQCLSA-N 0 3 377.510 3.723 20 5 GHBDHN COC1CCN(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000610575060 842863770 /nfs/dbraw/zinc/86/37/70/842863770.db2.gz GOBGYCOHUGUPDI-UHFFFAOYSA-N 0 3 393.871 3.709 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c2ccncc21 ZINC000302770090 861355441 /nfs/dbraw/zinc/35/54/41/861355441.db2.gz BTILPXJOHREBIH-GOSISDBHSA-N 0 3 392.459 3.846 20 5 GHBDHN COc1cc(CN[C@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000133049435 843657868 /nfs/dbraw/zinc/65/78/68/843657868.db2.gz FSEMPBBADKYXRI-GOSISDBHSA-N 0 3 388.411 3.626 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000510910336 843779420 /nfs/dbraw/zinc/77/94/20/843779420.db2.gz GLHVKERNIMESBI-HXUWFJFHSA-N 0 3 385.464 3.725 20 5 GHBDHN COc1cc(CN2CCCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000512481036 843967054 /nfs/dbraw/zinc/96/70/54/843967054.db2.gz RPHMZBRRUQOFAC-TZMCWYRMSA-N 0 3 388.411 3.720 20 5 GHBDHN C[C@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182507834 845473948 /nfs/dbraw/zinc/47/39/48/845473948.db2.gz XKQDORJMEOAWPD-AWEZNQCLSA-N 0 3 389.427 3.553 20 5 GHBDHN CC[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000604075473 861712805 /nfs/dbraw/zinc/71/28/05/861712805.db2.gz UKPNONLKROJMIA-OXQOHEQNSA-N 0 3 396.491 3.792 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000501842094 847239566 /nfs/dbraw/zinc/23/95/66/847239566.db2.gz KOCLUECYURLQDN-GOSISDBHSA-N 0 3 384.436 3.562 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccccc2OCc2ccccc2)cc1 ZINC000731677912 861808014 /nfs/dbraw/zinc/80/80/14/861808014.db2.gz BSRNKQUJTNCFEF-OAQYLSRUSA-N 0 3 378.428 3.997 20 5 GHBDHN CN1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000248140047 849377949 /nfs/dbraw/zinc/37/79/49/849377949.db2.gz YIEZFOXKBACDGT-OALUTQOASA-N 0 3 382.464 3.575 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000458505126 849800778 /nfs/dbraw/zinc/80/07/78/849800778.db2.gz MWQRTYQYLVISFY-HNNXBMFYSA-N 0 3 390.509 3.799 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCc1ccccc1 ZINC000504906581 850438331 /nfs/dbraw/zinc/43/83/31/850438331.db2.gz ZYBXVBGXEQEURH-DOTOQJQBSA-N 0 3 387.505 3.760 20 5 GHBDHN Cc1c(NC(=O)CCN2CCC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000481729055 862140173 /nfs/dbraw/zinc/14/01/73/862140173.db2.gz VRWGXRKSKIRSAG-QFIPXVFZSA-N 0 3 395.459 3.753 20 5 GHBDHN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000434230888 850910226 /nfs/dbraw/zinc/91/02/26/850910226.db2.gz YGRQYXDLKXNCBP-RDJZCZTQSA-N 0 3 399.495 3.739 20 5 GHBDHN CN(CCCC(=O)OC(C)(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000514104079 851239605 /nfs/dbraw/zinc/23/96/05/851239605.db2.gz HJBIPBPPPSNILR-UHFFFAOYSA-N 0 3 388.468 3.549 20 5 GHBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436132382 851241249 /nfs/dbraw/zinc/24/12/49/851241249.db2.gz ASLCXTFYLRKHRF-GJZGRUSLSA-N 0 3 395.478 3.671 20 5 GHBDHN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)N2CCCC2)cc1 ZINC000163067018 862266305 /nfs/dbraw/zinc/26/63/05/862266305.db2.gz BESADCFBZLRCDX-FQEVSTJZSA-N 0 3 398.463 3.870 20 5 GHBDHN COc1ccc(CNCCOc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000237146207 852088016 /nfs/dbraw/zinc/08/80/16/852088016.db2.gz MCPNWSMKNWFNOD-UHFFFAOYSA-N 0 3 381.226 3.535 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000438711202 852758615 /nfs/dbraw/zinc/75/86/15/852758615.db2.gz FRPUKPMTPFYFFW-UHFFFAOYSA-N 0 3 392.459 3.813 20 5 GHBDHN COc1cc(CNCCc2ccccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000491033615 853412831 /nfs/dbraw/zinc/41/28/31/853412831.db2.gz QQZLRVWSBMSVJA-UHFFFAOYSA-N 0 3 384.354 3.719 20 5 GHBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000140169848 853506336 /nfs/dbraw/zinc/50/63/36/853506336.db2.gz YJOHWGNOYCQLES-ZDUSSCGKSA-N 0 3 393.896 3.952 20 5 GHBDHN COc1ccc(CN2CCC[C@@](C)(O)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129580487 853795492 /nfs/dbraw/zinc/79/54/92/853795492.db2.gz WWNWGKJYDAEQKP-OAQYLSRUSA-N 0 3 386.448 3.529 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C[C@H](C)O1 ZINC000301549927 855238468 /nfs/dbraw/zinc/23/84/68/855238468.db2.gz MAKFMXUUBKSGAT-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN COC(=O)c1c(Cl)c(NC[C@@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000590568409 855493254 /nfs/dbraw/zinc/49/32/54/855493254.db2.gz FMZITTQIYUHQQO-HNNXBMFYSA-N 0 3 395.818 3.889 20 5 GHBDHN Cc1c(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000554040768 855767610 /nfs/dbraw/zinc/76/76/10/855767610.db2.gz SHJXLQDWOKSOGF-FQEVSTJZSA-N 0 3 385.464 3.723 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000733107383 862722942 /nfs/dbraw/zinc/72/29/42/862722942.db2.gz ODWZLIXIVVHZAR-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000573243494 856020527 /nfs/dbraw/zinc/02/05/27/856020527.db2.gz PHOKXOBGMWBPQS-DZGCQCFKSA-N 0 3 397.401 3.842 20 5 GHBDHN CCCCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000554852456 856241513 /nfs/dbraw/zinc/24/15/13/856241513.db2.gz ZYDUYJPEQIIATL-DOPJRALCSA-N 0 3 393.484 3.504 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000245458946 856874906 /nfs/dbraw/zinc/87/49/06/856874906.db2.gz VCCCLWIBFXAYHX-WMLDXEAASA-N 0 3 387.436 3.998 20 5 GHBDHN COc1ccc(OCCN(C)[C@@H]2CCCc3nc(C)sc32)c([N+](=O)[O-])c1 ZINC000173379291 856896527 /nfs/dbraw/zinc/89/65/27/856896527.db2.gz DEXZRKWGSFPFEY-OAHLLOKOSA-N 0 3 377.466 3.757 20 5 GHBDHN C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1Cc1ccccc1 ZINC000173528029 856978569 /nfs/dbraw/zinc/97/85/69/856978569.db2.gz HSZOBDMIANAQOO-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000592258429 856981326 /nfs/dbraw/zinc/98/13/26/856981326.db2.gz RIOMDCRUHIVHNN-ZDUSSCGKSA-N 0 3 399.289 3.614 20 5 GHBDHN CC(C)N(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592694820 857028079 /nfs/dbraw/zinc/02/80/79/857028079.db2.gz NSXOCBMPNJXMHX-LJQANCHMSA-N 0 3 385.439 3.859 20 5 GHBDHN Cc1cc(C)c2c(c1)CN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)CC2 ZINC000485863214 857164180 /nfs/dbraw/zinc/16/41/80/857164180.db2.gz WLRHWBJMFHQDPG-UHFFFAOYSA-N 0 3 381.432 3.568 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001128251047 857393443 /nfs/dbraw/zinc/39/34/43/857393443.db2.gz IZHIPXZMNNUVLF-SZRHCGQDSA-N 0 3 381.476 3.881 20 5 GHBDHN CSc1cccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000486227167 857567670 /nfs/dbraw/zinc/56/76/70/857567670.db2.gz BRHJUZQAIMEQHQ-GDBMZVCRSA-N 0 3 385.489 3.882 20 5 GHBDHN O=C(CCc1ccccc1)N1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192952836 857766749 /nfs/dbraw/zinc/76/67/49/857766749.db2.gz INEIXGJOAIVVEU-UGKGYDQZSA-N 0 3 393.487 3.796 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000438956372 857851452 /nfs/dbraw/zinc/85/14/52/857851452.db2.gz WPVSTSOLKUHXKV-CQSZACIVSA-N 0 3 375.856 3.807 20 5 GHBDHN COCCOc1ccc([C@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000594495454 858192099 /nfs/dbraw/zinc/19/20/99/858192099.db2.gz YEJKHMVDOPPSST-KSSFIOAISA-N 0 3 386.448 3.967 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1F ZINC000593065055 863044394 /nfs/dbraw/zinc/04/43/94/863044394.db2.gz QQNQDCGSNOJZPL-INIZCTEOSA-N 0 3 375.400 3.812 20 5 GHBDHN O=[N+]([O-])c1cc2c(nc1NCC1CCN(Cc3ccncc3)CC1)CCCC2 ZINC000596437888 858896758 /nfs/dbraw/zinc/89/67/58/858896758.db2.gz ZQDULKJZKBRZHY-UHFFFAOYSA-N 0 3 381.480 3.588 20 5 GHBDHN COc1ccc(C[C@H](C)N(Cc2ccccc2)CC(OC)OC)c([N+](=O)[O-])c1 ZINC001170329899 881367792 /nfs/dbraw/zinc/36/77/92/881367792.db2.gz WLLQTXZVBIHCTE-INIZCTEOSA-N 0 3 388.464 3.656 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC(NC(=O)CC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170354357 881394160 /nfs/dbraw/zinc/39/41/60/881394160.db2.gz JNWDLDOUZJEEOX-OAHLLOKOSA-N 0 3 391.512 3.551 20 5 GHBDHN O=C(CN(CC1CC1)CC1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000483277339 859265001 /nfs/dbraw/zinc/26/50/01/859265001.db2.gz JQOACWRCQMYKJE-UHFFFAOYSA-N 0 3 396.285 3.808 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764241288 859322836 /nfs/dbraw/zinc/32/28/36/859322836.db2.gz ZNJPJPRIKJENKI-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN COc1ccc(C2CCN(CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000466738534 859415317 /nfs/dbraw/zinc/41/53/17/859415317.db2.gz YAFUOHUOMJYGKJ-UHFFFAOYSA-N 0 3 386.448 3.870 20 5 GHBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000597606290 859678003 /nfs/dbraw/zinc/67/80/03/859678003.db2.gz WCCMLUROLHZTLP-IBGZPJMESA-N 0 3 396.491 3.763 20 5 GHBDHN Cc1c(Br)c(N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000543449098 859753430 /nfs/dbraw/zinc/75/34/30/859753430.db2.gz BALRHLVUNCNNPT-OBJOEFQTSA-N 0 3 397.317 3.902 20 5 GHBDHN COc1cc(CN[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000611464449 859765707 /nfs/dbraw/zinc/76/57/07/859765707.db2.gz YWKTXHWULKYWTP-JTQLQIEISA-N 0 3 384.301 3.822 20 5 GHBDHN C[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459168 859777441 /nfs/dbraw/zinc/77/74/41/859777441.db2.gz QRQURJLUJPRQTP-YJBOKZPZSA-N 0 3 385.439 3.570 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000484487942 860029903 /nfs/dbraw/zinc/02/99/03/860029903.db2.gz NLOCECXPMZGGRG-KRWDZBQOSA-N 0 3 390.415 3.557 20 5 GHBDHN CCC[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125765846 860771132 /nfs/dbraw/zinc/77/11/32/860771132.db2.gz XQUQQXWQOKHIER-IBGZPJMESA-N 0 3 376.478 3.770 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000532234526 881588109 /nfs/dbraw/zinc/58/81/09/881588109.db2.gz JWFOAKIYLNYMAP-NPPFBWRTSA-N 0 3 383.492 3.843 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000603589957 860876317 /nfs/dbraw/zinc/87/63/17/860876317.db2.gz RUFFNIHWADBORN-UHFFFAOYSA-N 0 3 375.450 3.639 20 5 GHBDHN C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475128499 864267160 /nfs/dbraw/zinc/26/71/60/864267160.db2.gz IKROHYRQUJPGMP-JXFKEZNVSA-N 0 3 382.464 3.572 20 5 GHBDHN NC(=O)CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000122094350 866500091 /nfs/dbraw/zinc/50/00/91/866500091.db2.gz UABOSCJMWGMDEE-UHFFFAOYSA-N 0 3 379.416 3.732 20 5 GHBDHN Cc1c(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000478785020 866665723 /nfs/dbraw/zinc/66/57/23/866665723.db2.gz PDJQEZAGFWSPFW-IBGZPJMESA-N 0 3 382.464 3.540 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000429789826 867336243 /nfs/dbraw/zinc/33/62/43/867336243.db2.gz QXTAJHLFPXOOOH-BMGDILEWSA-N 0 3 375.469 3.639 20 5 GHBDHN Cc1cc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000553667621 867885004 /nfs/dbraw/zinc/88/50/04/867885004.db2.gz ZMBIVKJAYGLYAC-HXUWFJFHSA-N 0 3 385.464 3.723 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000535367749 868637576 /nfs/dbraw/zinc/63/75/76/868637576.db2.gz TWGYNYNGQGNIQI-QAPCUYQASA-N 0 3 392.459 3.570 20 5 GHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000016259374 870965982 /nfs/dbraw/zinc/96/59/82/870965982.db2.gz FENMHZGFCSLIML-NRFANRHFSA-N 0 3 394.475 3.736 20 5 GHBDHN COC(=O)[C@H](C)CN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000508632480 882632686 /nfs/dbraw/zinc/63/26/86/882632686.db2.gz VEEOBMLBPNZXQV-CYBMUJFWSA-N 0 3 388.420 3.637 20 5 GHBDHN COc1cccc(CN2CCC(Nc3ncnc4sc([N+](=O)[O-])cc43)CC2)c1 ZINC000804360731 872910058 /nfs/dbraw/zinc/91/00/58/872910058.db2.gz OLOJKPYKAREUKJ-UHFFFAOYSA-N 0 3 399.476 3.685 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000463971901 872996942 /nfs/dbraw/zinc/99/69/42/872996942.db2.gz VBGAGNBXWVMXNL-FUHWJXTLSA-N 0 3 382.464 3.996 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000463971902 872997044 /nfs/dbraw/zinc/99/70/44/872997044.db2.gz VBGAGNBXWVMXNL-SJLPKXTDSA-N 0 3 382.464 3.996 20 5 GHBDHN CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000464044968 873116051 /nfs/dbraw/zinc/11/60/51/873116051.db2.gz HIFMHYYVYXXVBW-OAHLLOKOSA-N 0 3 385.489 3.912 20 5 GHBDHN CCN(Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)[C@@H]1CCOC1 ZINC000463029905 873968799 /nfs/dbraw/zinc/96/87/99/873968799.db2.gz GAJXMLZGEADPGT-LJQANCHMSA-N 0 3 386.448 3.793 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000595777790 874215940 /nfs/dbraw/zinc/21/59/40/874215940.db2.gz KBHXJSRFGBPCMM-SJORKVTESA-N 0 3 375.469 3.558 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000449410562 874832695 /nfs/dbraw/zinc/83/26/95/874832695.db2.gz XNMRZBJJWYGMFZ-WJDWOHSUSA-N 0 3 398.463 3.708 20 5 GHBDHN COC(=O)Cc1ccc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000450213652 876084507 /nfs/dbraw/zinc/08/45/07/876084507.db2.gz HYOAHNUXURLNFE-KRWDZBQOSA-N 0 3 389.477 3.621 20 5 GHBDHN C[C@@H](NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850579701 877051022 /nfs/dbraw/zinc/05/10/22/877051022.db2.gz YMOSQUONQSEDML-BEFAXECRSA-N 0 3 385.464 3.723 20 5 GHBDHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(CCN1CCCC1)c1ccccc1 ZINC000610051125 877334996 /nfs/dbraw/zinc/33/49/96/877334996.db2.gz HKCHUVDJJCDTIM-UHFFFAOYSA-N 0 3 394.475 3.912 20 5 GHBDHN CC1(C(=O)OCCc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)CC1 ZINC000772708256 877627084 /nfs/dbraw/zinc/62/70/84/877627084.db2.gz RQRACASUTHBXRN-UHFFFAOYSA-N 0 3 382.460 3.983 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451306349 877784202 /nfs/dbraw/zinc/78/42/02/877784202.db2.gz MPQUZCNAUHVTGL-OAHLLOKOSA-N 0 3 384.354 3.706 20 5 GHBDHN COc1ccc(OC)c([C@H](O)CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000788574895 878178070 /nfs/dbraw/zinc/17/80/70/878178070.db2.gz CUEPPOJIQNONLC-RTBURBONSA-N 0 3 386.448 3.658 20 5 GHBDHN C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2sccc21 ZINC000453189946 880595199 /nfs/dbraw/zinc/59/51/99/880595199.db2.gz DYPDHHDNGRISBA-MLGOLLRUSA-N 0 3 380.491 3.658 20 5 GHBDHN C[C@H]1CCCN(CCNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000494258789 881325386 /nfs/dbraw/zinc/32/53/86/881325386.db2.gz DLBKRTPXOXDTMV-KRWDZBQOSA-N 0 3 397.475 3.636 20 5 GHBDHN COC(=O)COc1c(C)cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000175062126 883224858 /nfs/dbraw/zinc/22/48/58/883224858.db2.gz WQZOLONUUYRSLP-INIZCTEOSA-N 0 3 386.448 3.923 20 5 GHBDHN CSc1cccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC001130124765 883678183 /nfs/dbraw/zinc/67/81/83/883678183.db2.gz MBWMROCPHXPNKO-AEFFLSMTSA-N 0 3 397.500 3.663 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000547277443 883845689 /nfs/dbraw/zinc/84/56/89/883845689.db2.gz JMOSDJGVVYIHSF-WBVHZDCISA-N 0 3 399.466 3.791 20 5 GHBDHN Cc1nc2n(n1)C[C@H](NCc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 ZINC000237707627 884818038 /nfs/dbraw/zinc/81/80/38/884818038.db2.gz FJHVDWWAENPZCU-MRXNPFEDSA-N 0 3 397.410 3.531 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000147269099 885044209 /nfs/dbraw/zinc/04/42/09/885044209.db2.gz VALZDTFTLZPPPL-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN Cc1c([C@@H](C)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000532498304 885872375 /nfs/dbraw/zinc/87/23/75/885872375.db2.gz YMNZZDLWMAWORB-NQIIRXRSSA-N 0 3 382.508 3.543 20 5 GHBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000532517515 885918620 /nfs/dbraw/zinc/91/86/20/885918620.db2.gz KBTHZRWMTYHZJX-SPEDKVCISA-N 0 3 383.492 3.843 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC2(CCN2CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000794598120 887663001 /nfs/dbraw/zinc/66/30/01/887663001.db2.gz NODALUOGLCDWAV-UHFFFAOYSA-N 0 3 375.469 3.613 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000454258332 887750158 /nfs/dbraw/zinc/75/01/58/887750158.db2.gz MCBQOHDDXNCAMA-QGZVFWFLSA-N 0 3 392.456 3.880 20 5 GHBDHN CN(C)CCN(CCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809920139 887970005 /nfs/dbraw/zinc/97/00/05/887970005.db2.gz SIZZATYJIMWMML-UHFFFAOYSA-N 0 3 390.871 3.886 20 5 GHBDHN O=C1NCCN1Cc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000866577775 888947128 /nfs/dbraw/zinc/94/71/28/888947128.db2.gz POSVEJKWAZHUCT-NRFANRHFSA-N 0 3 394.475 3.677 20 5 GHBDHN Cc1cc(NCCCN2CCN(Cc3ccccc3)CC2)c(F)cc1[N+](=O)[O-] ZINC001184680660 913384535 /nfs/dbraw/zinc/38/45/35/913384535.db2.gz BBKVNHNIXUCRSY-UHFFFAOYSA-N 0 3 386.471 3.662 20 5 GHBDHN CC(COC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)[N+](=O)[O-] ZINC000813103455 891274959 /nfs/dbraw/zinc/27/49/59/891274959.db2.gz AZPNMSJWLSECSG-ZDUSSCGKSA-N 0 3 376.434 3.532 20 5 GHBDHN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813105643 891276506 /nfs/dbraw/zinc/27/65/06/891276506.db2.gz RAHAJWVCIKDRJS-VIFPVBQESA-N 0 3 379.825 3.871 20 5 GHBDHN CC(COC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[N+](=O)[O-] ZINC000813111968 891305097 /nfs/dbraw/zinc/30/50/97/891305097.db2.gz YGYOREQGPUOHBC-QMMMGPOBSA-N 0 3 375.233 3.868 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000814175771 892331101 /nfs/dbraw/zinc/33/11/01/892331101.db2.gz JSJUXAQOVBCLGL-FUHWJXTLSA-N 0 3 375.469 3.735 20 5 GHBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000288333679 913733915 /nfs/dbraw/zinc/73/39/15/913733915.db2.gz JNVLQNKCAHWKMH-WBVHZDCISA-N 0 3 375.472 3.792 20 5 GHBDHN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(c3)CNC4)cc2[N+](=O)[O-])C1 ZINC000562979956 893241492 /nfs/dbraw/zinc/24/14/92/893241492.db2.gz XYSBVTTYBOZHAK-AWEZNQCLSA-N 0 3 380.448 3.687 20 5 GHBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498125424 893304164 /nfs/dbraw/zinc/30/41/64/893304164.db2.gz KJSPQRWEGCSXEY-UHFFFAOYSA-N 0 3 395.381 3.818 20 5 GHBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000498125904 893348013 /nfs/dbraw/zinc/34/80/13/893348013.db2.gz ICMCWENZEJKOJI-UHFFFAOYSA-N 0 3 395.381 3.818 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459451873 893545167 /nfs/dbraw/zinc/54/51/67/893545167.db2.gz VTUWPAAGOSRHAF-UHFFFAOYSA-N 0 3 376.482 3.869 20 5 GHBDHN C[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000877550964 893683414 /nfs/dbraw/zinc/68/34/14/893683414.db2.gz VHHPXBVSIVYCID-XNWIYYODSA-N 0 3 389.765 3.913 20 5 GHBDHN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 ZINC000815636030 894084251 /nfs/dbraw/zinc/08/42/51/894084251.db2.gz NVFAZDMLFLNTIK-KBPBESRZSA-N 0 3 384.436 3.936 20 5 GHBDHN CCN1CCCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000536936302 894120610 /nfs/dbraw/zinc/12/06/10/894120610.db2.gz NOJFOVNUKNYGSA-UHFFFAOYSA-N 0 3 384.436 3.947 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCC[C@H]2[C@H]2CCCOC2)o1 ZINC000878756701 894583212 /nfs/dbraw/zinc/58/32/12/894583212.db2.gz YKJAPCVXLCFRTJ-WFASDCNBSA-N 0 3 392.843 3.689 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC4(CC3)OCCCO4)o2)c([N+](=O)[O-])c1 ZINC000816645355 894988687 /nfs/dbraw/zinc/98/86/87/894988687.db2.gz RUKSKLUEOJXQNA-UHFFFAOYSA-N 0 3 388.420 3.592 20 5 GHBDHN CN(C)[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC001135742505 895195382 /nfs/dbraw/zinc/19/53/82/895195382.db2.gz ONYPKOBETKUUMY-SFHVURJKSA-N 0 3 375.856 3.600 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000565795090 895885685 /nfs/dbraw/zinc/88/56/85/895885685.db2.gz JAOOQVDFQBXNCO-OXQOHEQNSA-N 0 3 381.476 3.652 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1sc(C)nc1C ZINC000106877005 898296988 /nfs/dbraw/zinc/29/69/88/898296988.db2.gz WQILSVRUSWDHJW-LBPRGKRZSA-N 0 3 392.481 3.698 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3nc4c(s3)CCCC4)CC2)cc1 ZINC000823469295 899045997 /nfs/dbraw/zinc/04/59/97/899045997.db2.gz UXAHHQHMPNUNPZ-SFHVURJKSA-N 0 3 387.505 3.843 20 5 GHBDHN Cc1cc(Cl)c(C(=O)NCC2(N3CCSCC3)CCCC2)cc1[N+](=O)[O-] ZINC000825450284 900170665 /nfs/dbraw/zinc/17/06/65/900170665.db2.gz VXDNRVADHYHYNK-UHFFFAOYSA-N 0 3 397.928 3.648 20 5 GHBDHN Cc1c(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000573088519 900375513 /nfs/dbraw/zinc/37/55/13/900375513.db2.gz LZUFUWDUTFWGJJ-QGZVFWFLSA-N 0 3 390.871 3.659 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Cc3cc(F)ccc3F)CC2)c1 ZINC001171099503 900480772 /nfs/dbraw/zinc/48/07/72/900480772.db2.gz WNHLXDLRUDXISR-FQEVSTJZSA-N 0 3 376.403 3.861 20 5 GHBDHN O=[N+]([O-])c1ncccc1CNC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000886218053 900892411 /nfs/dbraw/zinc/89/24/11/900892411.db2.gz MVEDNYNTDQVAHQ-UHFFFAOYSA-N 0 3 379.819 3.664 20 5 GHBDHN COc1ccc2c(c1)C1(CC1)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000575622044 901251825 /nfs/dbraw/zinc/25/18/25/901251825.db2.gz CJZNWKQMILZRJE-UHFFFAOYSA-N 0 3 395.459 3.788 20 5 GHBDHN O=C(CCNCc1ccccc1OC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000575936735 901495544 /nfs/dbraw/zinc/49/55/44/901495544.db2.gz DYMUVPWPXNKGEA-UHFFFAOYSA-N 0 3 383.326 3.612 20 5 GHBDHN COc1ccc(OCCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872813 902472107 /nfs/dbraw/zinc/47/21/07/902472107.db2.gz OYLRCKVWCVOOCX-ORAYPTAESA-N 0 3 377.368 3.553 20 5 GHBDHN CCCNC(=O)c1cccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845874647 902476627 /nfs/dbraw/zinc/47/66/27/902476627.db2.gz IFCCRXJFSKRFNB-ACJLOTCBSA-N 0 3 388.395 3.529 20 5 GHBDHN CC([C@H](OC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874444 902476683 /nfs/dbraw/zinc/47/66/83/902476683.db2.gz IPUHDYBYRALGJE-DJJJIMSYSA-N 0 3 386.379 3.516 20 5 GHBDHN CC([C@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1F)[N+](=O)[O-] ZINC000845875150 902479287 /nfs/dbraw/zinc/47/92/87/902479287.db2.gz KJJKJABHQVBLFW-DGFSRKRXSA-N 0 3 380.397 3.697 20 5 GHBDHN CC([C@H](OC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876013 902480838 /nfs/dbraw/zinc/48/08/38/902480838.db2.gz MPHOTVWTOPWCRU-ONERCXAPSA-N 0 3 380.397 3.697 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000845878234 902482449 /nfs/dbraw/zinc/48/24/49/902482449.db2.gz RTZHWEMDRNTCRY-JCGVRSQUSA-N 0 3 375.400 3.865 20 5 GHBDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000132028918 903197012 /nfs/dbraw/zinc/19/70/12/903197012.db2.gz RSBXPFSKMXLUPZ-QGZVFWFLSA-N 0 3 391.399 3.639 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000132026842 903197028 /nfs/dbraw/zinc/19/70/28/903197028.db2.gz GRIDPMWMEPOURJ-LBPRGKRZSA-N 0 3 391.447 3.673 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(c3noc4ccccc43)CC1)CC2 ZINC001172908746 905938782 /nfs/dbraw/zinc/93/87/82/905938782.db2.gz NGBINRGBAFLBIE-GOSISDBHSA-N 0 3 392.459 3.806 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](CO)c2ccc(Cl)cc2)c1F ZINC001173186037 906267396 /nfs/dbraw/zinc/26/73/96/906267396.db2.gz REKDWSGWSXZMLG-ABAIWWIYSA-N 0 3 382.819 3.650 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001173227250 906309335 /nfs/dbraw/zinc/30/93/35/906309335.db2.gz OXVDLIUYTQFTQV-LLVKDONJSA-N 0 3 384.358 3.807 20 5 GHBDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000182551905 907227598 /nfs/dbraw/zinc/22/75/98/907227598.db2.gz YARGNXHBLGUSBX-CQSZACIVSA-N 0 3 384.436 3.541 20 5 GHBDHN C[S@@](=O)C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000183125466 907333098 /nfs/dbraw/zinc/33/30/98/907333098.db2.gz WNKSBWHJKSMKIY-XDBZFTIUSA-N 0 3 399.472 3.502 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H](C)[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000266299867 909068379 /nfs/dbraw/zinc/06/83/79/909068379.db2.gz MDOXKGGLJORLQL-XAUMDUMWSA-N 0 3 383.448 3.598 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCC[C@@H]3O)o2)c(Br)c1 ZINC000172632960 911659613 /nfs/dbraw/zinc/65/96/13/911659613.db2.gz SLZRYSLXZGKIFG-GJZGRUSLSA-N 0 3 381.226 3.620 20 5 GHBDHN COC[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)c(F)c1 ZINC000774472677 911780627 /nfs/dbraw/zinc/78/06/27/911780627.db2.gz NFQMVSVXZYQUHY-HXUWFJFHSA-N 0 3 391.418 3.819 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3[C@@H]4CC[C@H]3CCN(C)C4)c([N+](=O)[O-])c2)cc1 ZINC001187600483 915358366 /nfs/dbraw/zinc/35/83/66/915358366.db2.gz TUWUEZVWTTWBSG-RBUKOAKNSA-N 0 3 394.475 3.828 20 5 GHBDHN CSc1ccccc1OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411198597 926208446 /nfs/dbraw/zinc/20/84/46/926208446.db2.gz ZNAHBRWGKJBNNV-SFHVURJKSA-N 0 3 390.505 3.967 20 5 GHBDHN Cc1nn(CN(C)CCc2cccc3ccccc32)c2ncc([N+](=O)[O-])cc12 ZINC000749945642 927362886 /nfs/dbraw/zinc/36/28/86/927362886.db2.gz HIESQSPVMAUBBL-UHFFFAOYSA-N 0 3 375.432 3.933 20 5 GHBDHN COCC[C@@H]1CCCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000467268035 928895662 /nfs/dbraw/zinc/89/56/62/928895662.db2.gz IBDRYSMNGUKDFH-ZDUSSCGKSA-N 0 3 388.411 3.843 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544627053 929361589 /nfs/dbraw/zinc/36/15/89/929361589.db2.gz VKQRCDWIOZUBJL-UHFFFAOYSA-N 0 3 386.427 3.862 20 5 GHBDHN CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757113797 929652493 /nfs/dbraw/zinc/65/24/93/929652493.db2.gz ZJQHVXGPFUUVQP-QAPCUYQASA-N 0 3 393.484 3.599 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000470175033 930432208 /nfs/dbraw/zinc/43/22/08/930432208.db2.gz OLBITRAXNKDLET-JXAWBTAJSA-N 0 3 385.508 3.969 20 5 GHBDHN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000559078992 932416831 /nfs/dbraw/zinc/41/68/31/932416831.db2.gz KURYZSWVSJMDHQ-UHFFFAOYSA-N 0 3 398.511 3.574 20 5 GHBDHN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(CC(F)(F)F)CC1 ZINC000559234773 932538771 /nfs/dbraw/zinc/53/87/71/932538771.db2.gz OFUKLPIIRMMMSD-JTQLQIEISA-N 0 3 381.345 3.625 20 5 GHBDHN C[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](n2cncn2)C1 ZINC000559899954 932933954 /nfs/dbraw/zinc/93/39/54/932933954.db2.gz GTQCAVPHDUMACY-HFBAOOFYSA-N 0 3 383.374 3.725 20 5 GHBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000560180665 933114428 /nfs/dbraw/zinc/11/44/28/933114428.db2.gz IXBRZBPZHOUDGL-DYVFJYSZSA-N 0 3 376.840 3.758 20 5 GHBDHN O=C1CC2(CN1)CCN(Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CC2 ZINC001116442540 933561035 /nfs/dbraw/zinc/56/10/35/933561035.db2.gz CIQAYRXPLYKDCK-UHFFFAOYSA-N 0 3 389.839 3.610 20 5 GHBDHN Cc1sc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000561653959 934340326 /nfs/dbraw/zinc/34/03/26/934340326.db2.gz XEWDTRGFVKLQTN-KRWDZBQOSA-N 0 3 391.493 3.785 20 5 GHBDHN Cc1nc(CSCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC001122995683 935050736 /nfs/dbraw/zinc/05/07/36/935050736.db2.gz OAFQNEUTCBTLHA-QLJPJBMISA-N 0 3 384.454 3.774 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470138018 1016734337 /nfs/dbraw/zinc/73/43/37/1016734337.db2.gz XDGKMUYUOMKNSY-UHFFFAOYSA-N 0 3 396.369 3.608 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000470173449 1016741813 /nfs/dbraw/zinc/74/18/13/1016741813.db2.gz LKWZEGQDULHQFS-XIDKLXSXSA-N 0 3 385.508 3.969 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)c1 ZINC001227046200 1032250842 /nfs/dbraw/zinc/25/08/42/1032250842.db2.gz GFKXZHNTRBVUOY-FOIQADDNSA-N 0 3 384.432 3.671 20 5 GHBDHN O=C(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000192466794 1020878960 /nfs/dbraw/zinc/87/89/60/1020878960.db2.gz CCSCSRDNPOAFJO-UHFFFAOYSA-N 0 3 399.422 3.657 20 5 GHBDHN CC[C@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000834902858 1021651712 /nfs/dbraw/zinc/65/17/12/1021651712.db2.gz DLFUHVVNASJYAM-MSOLQXFVSA-N 0 3 393.484 3.662 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000836198157 1022721129 /nfs/dbraw/zinc/72/11/29/1022721129.db2.gz ZCRVXZJQOIZJKF-UHFFFAOYSA-N 0 3 387.867 3.951 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000754889364 1022951486 /nfs/dbraw/zinc/95/14/86/1022951486.db2.gz LPSIFIUZEORVSZ-QGUORLBXSA-N 0 3 379.460 3.951 20 5 GHBDHN CC(C)[C@H](NCc1cccc([N+](=O)[O-])c1Br)C1(CO)CC=CC1 ZINC000830512391 1023962537 /nfs/dbraw/zinc/96/25/37/1023962537.db2.gz BISAYFOHAXFJPA-INIZCTEOSA-N 0 3 383.286 3.800 20 5 GHBDHN COc1ccc([C@H](CO)CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000839184882 1025696692 /nfs/dbraw/zinc/69/66/92/1025696692.db2.gz LXGISYYCKJPTPN-ZDUSSCGKSA-N 0 3 385.247 3.776 20 5 GHBDHN CSc1cccc(N(C(=O)CCC(C)(C)[N+](=O)[O-])C2CCN(C)CC2)c1 ZINC000839277147 1025772460 /nfs/dbraw/zinc/77/24/60/1025772460.db2.gz DAENARZDXOCDLE-UHFFFAOYSA-N 0 3 379.526 3.671 20 5 GHBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)n1 ZINC001165183753 1026652488 /nfs/dbraw/zinc/65/24/88/1026652488.db2.gz SEEFRVDOOSGBSY-CZUORRHYSA-N 0 3 389.887 3.693 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCNC(=O)c1ccccc1C(F)(F)F ZINC001461162243 1069420344 /nfs/dbraw/zinc/42/03/44/1069420344.db2.gz MYBHYJOUPOHLOG-UHFFFAOYSA-N 0 3 395.381 3.750 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNc2cc3n(n2)CCN(C)C3)cc1[N+](=O)[O-] ZINC001203446416 1027345459 /nfs/dbraw/zinc/34/54/59/1027345459.db2.gz GUFVWUCRJGTNEA-UHFFFAOYSA-N 0 3 392.463 3.617 20 5 GHBDHN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001222772824 1030302662 /nfs/dbraw/zinc/30/26/62/1030302662.db2.gz GCBOGBZNDXHPCD-QGZVFWFLSA-N 0 3 384.432 3.563 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001225449633 1031420611 /nfs/dbraw/zinc/42/06/11/1031420611.db2.gz XFWZXIDXTYNCOC-MGPUTAFESA-N 0 3 384.432 3.671 20 5 GHBDHN CCCN(C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C)[C@@H]1CCN(C)C1 ZINC001220233251 1031849794 /nfs/dbraw/zinc/84/97/94/1031849794.db2.gz KOYPJESFAXIKOJ-GFCCVEGCSA-N 0 3 388.390 3.870 20 5 GHBDHN NCc1ccc2c(n1)N(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CCC2 ZINC001158655527 1034218289 /nfs/dbraw/zinc/21/82/89/1034218289.db2.gz GFVKUBSMEUIKOD-UHFFFAOYSA-N 0 3 396.838 3.643 20 5 GHBDHN CCOC(=O)c1ccc(OC(C(=O)c2ccco2)c2ccco2)cc1[N+](=O)[O-] ZINC001230912993 1034284337 /nfs/dbraw/zinc/28/43/37/1034284337.db2.gz OIHINSSAYIFCGD-SFHVURJKSA-N 0 3 385.328 3.961 20 5 GHBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccccc4[N+](=O)[O-])cc3)C[C@H]1N2C ZINC001231253683 1034486591 /nfs/dbraw/zinc/48/65/91/1034486591.db2.gz OTLPPJLVCAFVEK-FBRLZHCOSA-N 0 3 396.443 3.807 20 5 GHBDHN CCC(CC)Nc1ccncc1NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001159872162 1034769006 /nfs/dbraw/zinc/76/90/06/1034769006.db2.gz ORSGNJDWMADTNM-UHFFFAOYSA-N 0 3 384.436 3.614 20 5 GHBDHN O=C(NC1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1)N1CCCC1 ZINC001232228678 1035173334 /nfs/dbraw/zinc/17/33/34/1035173334.db2.gz UWZKMRRXQMBMAT-UHFFFAOYSA-N 0 3 389.503 3.553 20 5 GHBDHN COc1cccc(CN2CC[C@H](Nc3nccc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC001161193214 1035175054 /nfs/dbraw/zinc/17/50/54/1035175054.db2.gz UPOJSOAOWRWNRT-KRWDZBQOSA-N 0 3 378.432 3.838 20 5 GHBDHN O=[N+]([O-])c1cccc2ccc(NCC3CCN(Cc4ccccn4)CC3)nc21 ZINC001161242669 1035189859 /nfs/dbraw/zinc/18/98/59/1035189859.db2.gz BUEJWGPYQCARQM-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001254551772 1040319596 /nfs/dbraw/zinc/31/95/96/1040319596.db2.gz FIDTZGXKKFCLCG-IWCQGFGOSA-N 0 3 375.469 3.513 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001254554296 1040322360 /nfs/dbraw/zinc/32/23/60/1040322360.db2.gz BOFIIEHZWAPFNY-NTSGDEEZSA-N 0 3 397.475 3.622 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001254558248 1040328158 /nfs/dbraw/zinc/32/81/58/1040328158.db2.gz UBWSEGCAZJUWBC-OZOXKJRCSA-N 0 3 399.466 3.502 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001254562105 1040334930 /nfs/dbraw/zinc/33/49/30/1040334930.db2.gz JOMGSMFDMRTEHZ-WCQYABFASA-N 0 3 384.358 3.807 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN([C@H]3CCCc4ccccc43)CC1)C2 ZINC001254608331 1040380559 /nfs/dbraw/zinc/38/05/59/1040380559.db2.gz QSGZHBKZLSDITF-GMAHTHKFSA-N 0 3 377.488 3.757 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001264944084 1047519402 /nfs/dbraw/zinc/51/94/02/1047519402.db2.gz GKKMYPREOUBWAH-UHFFFAOYSA-N 0 3 387.455 3.565 20 5 GHBDHN C[C@]1(Cc2ccccc2)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307655646 1049480345 /nfs/dbraw/zinc/48/03/45/1049480345.db2.gz OBZJVMLDMZJMOI-JOCHJYFZSA-N 0 3 379.460 3.581 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2[N+](=O)[O-])C1 ZINC001308022784 1049774008 /nfs/dbraw/zinc/77/40/08/1049774008.db2.gz RXCRLZLUWNQZEY-NVXWUHKLSA-N 0 3 375.469 3.816 20 5 GHBDHN COc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC000903079708 1049958661 /nfs/dbraw/zinc/95/86/61/1049958661.db2.gz NRQILEVVEGBABP-HZPDHXFCSA-N 0 3 385.464 3.852 20 5 GHBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@H](O)[C@@H](C)O)cc2[N+](=O)[O-])c1 ZINC001308479609 1049985673 /nfs/dbraw/zinc/98/56/73/1049985673.db2.gz OCAHILQAXBPILO-BEFAXECRSA-N 0 3 388.464 3.650 20 5 GHBDHN COC[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(Cl)cc1 ZINC001308772475 1050089180 /nfs/dbraw/zinc/08/91/80/1050089180.db2.gz UJPHRUQQUXCAAJ-ZDUSSCGKSA-N 0 3 375.812 3.909 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC001329134371 1050730294 /nfs/dbraw/zinc/73/02/94/1050730294.db2.gz JXCDWLIDZKZWJB-IFMALSPDSA-N 0 3 392.459 3.540 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC001331731880 1051362867 /nfs/dbraw/zinc/36/28/67/1051362867.db2.gz ZMXVGVDMKFLVJM-IRXDYDNUSA-N 0 3 385.247 3.648 20 5 GHBDHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320837225 1055981514 /nfs/dbraw/zinc/98/15/14/1055981514.db2.gz QENFVHTVQPQTOR-DZGCQCFKSA-N 0 3 378.812 3.940 20 5 GHBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001454553862 1061839657 /nfs/dbraw/zinc/83/96/57/1061839657.db2.gz JXMXJINZDHAXET-JTQLQIEISA-N 0 3 390.242 3.787 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC001348257062 1062968418 /nfs/dbraw/zinc/96/84/18/1062968418.db2.gz PDWDPRAAMSFMAR-IAGOWNOFSA-N 0 3 385.247 3.648 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(CC2CCCCC2)CC1 ZINC001465543749 1065703044 /nfs/dbraw/zinc/70/30/44/1065703044.db2.gz ZJROTAMSUOSMLQ-UHFFFAOYSA-N 0 3 380.876 3.978 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001467946434 1067540832 /nfs/dbraw/zinc/54/08/32/1067540832.db2.gz DMPCSIZVEUOREI-UHFFFAOYSA-N 0 3 387.402 3.952 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N2CCN(CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001469068083 1067968632 /nfs/dbraw/zinc/96/86/32/1067968632.db2.gz BUNFLGRVXWRNBG-KRWDZBQOSA-N 0 3 388.512 3.872 20 5 GHBDHN CCN(CCOC)c1cccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001460134366 1068803793 /nfs/dbraw/zinc/80/37/93/1068803793.db2.gz WNMVWKTZENURHI-IBGZPJMESA-N 0 3 398.507 3.842 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001470781942 1072738165 /nfs/dbraw/zinc/73/81/65/1072738165.db2.gz YHJYZTODPCRMJP-BEFAXECRSA-N 0 3 381.476 3.852 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001473530196 1074004986 /nfs/dbraw/zinc/00/49/86/1074004986.db2.gz HEPNIODAIPZDLT-NQIIRXRSSA-N 0 3 382.460 3.952 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474464521 1074417987 /nfs/dbraw/zinc/41/79/87/1074417987.db2.gz QCCVMGSQUNNMNW-IBGZPJMESA-N 0 3 382.464 3.982 20 5 GHBDHN COc1c([O-])ccc(CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001474524857 1074448528 /nfs/dbraw/zinc/44/85/28/1074448528.db2.gz JVPJXYFRVUMWLU-UHFFFAOYSA-N 0 3 379.501 3.641 20 5 GHBDHN COc1ccc(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001476319560 1075124141 /nfs/dbraw/zinc/12/41/41/1075124141.db2.gz MIGYAJZFIYJLIO-SFHVURJKSA-N 0 3 398.463 3.780 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H](CO)Cc3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC001657792003 1126260898 /nfs/dbraw/zinc/26/08/98/1126260898.db2.gz KKEJOOJNPOXDEL-QGZVFWFLSA-N 0 3 396.443 3.865 20 5 GHBDHN C[C@](CO)(Cc1ccccc1F)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001660390180 1126264767 /nfs/dbraw/zinc/26/47/67/1126264767.db2.gz ZFJLJTJZMMOOPD-QGZVFWFLSA-N 0 3 386.345 3.836 20 5 GHBDHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000583503916 834511613 /nfs/dbraw/zinc/51/16/13/834511613.db2.gz VVMRUUBILQBIAL-BXTJHSDWSA-N 0 3 385.439 3.617 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000136185140 835319290 /nfs/dbraw/zinc/31/92/90/835319290.db2.gz YWWMGUHBURZYBX-MAUKXSAKSA-N 0 3 382.464 3.996 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCc3c2cnn3CCO)s1 ZINC000365064987 836174478 /nfs/dbraw/zinc/17/44/78/836174478.db2.gz DKQUSPABFFQOOO-KRWDZBQOSA-N 0 3 398.488 3.679 20 5 GHBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C1=CCN(C)CC1 ZINC000511375384 836743399 /nfs/dbraw/zinc/74/33/99/836743399.db2.gz BTODHRLJNHQMSC-HNNXBMFYSA-N 0 3 381.432 3.767 20 5 GHBDHN O=C(NCCCN1CCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275469648 837090550 /nfs/dbraw/zinc/09/05/50/837090550.db2.gz LFWOGNJKYORDKG-UHFFFAOYSA-N 0 3 399.441 3.978 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000103231694 838369786 /nfs/dbraw/zinc/36/97/86/838369786.db2.gz AROHOQIQRNFTPX-UHFFFAOYSA-N 0 3 386.452 3.508 20 5 GHBDHN COc1ccc2c(c1)CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000104676920 838849621 /nfs/dbraw/zinc/84/96/21/838849621.db2.gz WVQMNPFTTQMATF-UHFFFAOYSA-N 0 3 379.416 3.859 20 5 GHBDHN Cc1cccc2c1ncc(C)c2N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000580880721 840372483 /nfs/dbraw/zinc/37/24/83/840372483.db2.gz CVAJQMLUHOEFAF-UHFFFAOYSA-N 0 3 390.443 3.722 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(CN3CCOCC3)c1)CCCC2 ZINC000417323701 840723619 /nfs/dbraw/zinc/72/36/19/840723619.db2.gz OVIRTMKCKPCKFW-HSZRJFAPSA-N 0 3 395.503 3.984 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000110918991 840804471 /nfs/dbraw/zinc/80/44/71/840804471.db2.gz UBSPQBBJGLHFRU-UHFFFAOYSA-N 0 3 379.526 3.901 20 5 GHBDHN C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475979 840814572 /nfs/dbraw/zinc/81/45/72/840814572.db2.gz RKXLCIRLLZOIRN-IIBYNOLFSA-N 0 3 381.476 3.593 20 5 GHBDHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000511816022 840854248 /nfs/dbraw/zinc/85/42/48/840854248.db2.gz AUAGPNNUXUJCDH-RBUKOAKNSA-N 0 3 391.427 3.586 20 5 GHBDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126413820 841053164 /nfs/dbraw/zinc/05/31/64/841053164.db2.gz QGMIVHJQWUNFKU-HOTGVXAUSA-N 0 3 382.464 3.873 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H](C)c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000418115672 841516255 /nfs/dbraw/zinc/51/62/55/841516255.db2.gz PRNZVAKYLCYSTG-CQSZACIVSA-N 0 3 384.432 3.875 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000045623208 841736617 /nfs/dbraw/zinc/73/66/17/841736617.db2.gz ARFIWHWYZVKCRN-KRWDZBQOSA-N 0 3 376.482 3.539 20 5 GHBDHN COc1ccccc1CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000109103116 841784691 /nfs/dbraw/zinc/78/46/91/841784691.db2.gz BJBUHBOYOIRHFJ-UHFFFAOYSA-N 0 3 383.448 3.905 20 5 GHBDHN Cc1cc(NC[C@H](O)COc2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302213910 861242405 /nfs/dbraw/zinc/24/24/05/861242405.db2.gz ZKVOYTZKNQWSBC-ZDUSSCGKSA-N 0 3 389.358 3.581 20 5 GHBDHN CCOC(=O)c1csc(CCN[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)n1 ZINC000276453697 841969366 /nfs/dbraw/zinc/96/93/66/841969366.db2.gz BBUZJGCBXZJASI-GFCCVEGCSA-N 0 3 393.465 3.520 20 5 GHBDHN COc1ccc(C[C@H](C)CN(C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000121455589 842128598 /nfs/dbraw/zinc/12/85/98/842128598.db2.gz QXHAMFVLQWIHQL-INIZCTEOSA-N 0 3 395.463 3.630 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCCC2 ZINC000610540464 842242654 /nfs/dbraw/zinc/24/26/54/842242654.db2.gz KFHHBVLKIYGPMS-QZTJIDSGSA-N 0 3 376.453 3.679 20 5 GHBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000481652154 843410135 /nfs/dbraw/zinc/41/01/35/843410135.db2.gz FXFKOTHAKAXDCE-UHFFFAOYSA-N 0 3 396.491 3.994 20 5 GHBDHN COC[C@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)OC ZINC000512395807 843636139 /nfs/dbraw/zinc/63/61/39/843636139.db2.gz BCVWGGUHQMOXJM-AWEZNQCLSA-N 0 3 380.828 3.792 20 5 GHBDHN CN(CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000065115859 843799739 /nfs/dbraw/zinc/79/97/39/843799739.db2.gz HAWRWIBGHUZWDM-UHFFFAOYSA-N 0 3 396.472 3.580 20 5 GHBDHN CC(C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000120053431 846052567 /nfs/dbraw/zinc/05/25/67/846052567.db2.gz BWVUCCPUALKFSQ-FQEVSTJZSA-N 0 3 385.439 3.547 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000731466757 861639488 /nfs/dbraw/zinc/63/94/88/861639488.db2.gz AEMZZCOFOQYWBO-WMLDXEAASA-N 0 3 385.489 3.595 20 5 GHBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548693188 846483844 /nfs/dbraw/zinc/48/38/44/846483844.db2.gz GBNYUDYXSJYITC-IYBDPMFKSA-N 0 3 377.488 3.674 20 5 GHBDHN COc1cc(CNC[C@@]2(C)CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237253845 846499387 /nfs/dbraw/zinc/49/93/87/846499387.db2.gz QXWBGHONNPPLSW-OAQYLSRUSA-N 0 3 386.448 3.841 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000119955474 846546393 /nfs/dbraw/zinc/54/63/93/846546393.db2.gz DUBCOBGZJZMFOA-SFHVURJKSA-N 0 3 375.494 3.788 20 5 GHBDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000478498756 847101437 /nfs/dbraw/zinc/10/14/37/847101437.db2.gz HUBMUCQLSGMOGM-AWEZNQCLSA-N 0 3 377.466 3.516 20 5 GHBDHN CN1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[C@H]1c1ccccc1 ZINC000247964203 849081905 /nfs/dbraw/zinc/08/19/05/849081905.db2.gz DJSHWPYPWKWRFF-TZIWHRDSSA-N 0 3 394.475 3.714 20 5 GHBDHN COc1ccc(C[C@@H](C)N[C@H]2CCOc3cc(F)cc(F)c32)c([N+](=O)[O-])c1 ZINC001170312131 881342248 /nfs/dbraw/zinc/34/22/48/881342248.db2.gz CVKJRNQQSAAKIB-BZNIZROVSA-N 0 3 378.375 3.926 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600472098 862041190 /nfs/dbraw/zinc/04/11/90/862041190.db2.gz MNPUXGHSIFWZEW-MRXNPFEDSA-N 0 3 377.510 3.844 20 5 GHBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426580244 850854952 /nfs/dbraw/zinc/85/49/52/850854952.db2.gz PXCYWKCEWAFSJZ-INIZCTEOSA-N 0 3 385.464 3.540 20 5 GHBDHN CO[C@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000514085501 851222533 /nfs/dbraw/zinc/22/25/33/851222533.db2.gz XJDCIQIUWISIKQ-DOTOQJQBSA-N 0 3 376.844 3.517 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)cc1 ZINC000488444306 851515193 /nfs/dbraw/zinc/51/51/93/851515193.db2.gz VTRLRXMPIXCJNE-MRXNPFEDSA-N 0 3 393.390 3.537 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(CCCc3ccccc3Br)CC2)n1 ZINC000488715599 851720637 /nfs/dbraw/zinc/72/06/37/851720637.db2.gz OURXSXSNIRMWJS-UHFFFAOYSA-N 0 3 393.285 3.824 20 5 GHBDHN O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000025056774 852000183 /nfs/dbraw/zinc/00/01/83/852000183.db2.gz UMVDTZBOSBFBGJ-UHFFFAOYSA-N 0 3 381.432 3.518 20 5 GHBDHN Cc1cc(NC[C@@H](c2cccc(F)c2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489311550 852209726 /nfs/dbraw/zinc/20/97/26/852209726.db2.gz GYUMFYRTAUJFCS-IBGZPJMESA-N 0 3 395.438 3.636 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000489578635 852450294 /nfs/dbraw/zinc/45/02/94/852450294.db2.gz BJYRCRBLKOUPEN-AEFFLSMTSA-N 0 3 396.491 3.792 20 5 GHBDHN CN1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000489931085 852652463 /nfs/dbraw/zinc/65/24/63/852652463.db2.gz PMTSYQQZMRRTAU-MJGOQNOKSA-N 0 3 382.464 3.575 20 5 GHBDHN CN(C)C(=O)CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237148824 853280800 /nfs/dbraw/zinc/28/08/00/853280800.db2.gz HZMNJPVGTLJMDG-UHFFFAOYSA-N 0 3 377.828 3.608 20 5 GHBDHN COc1cc(CNCCc2cccc(F)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491029106 853406779 /nfs/dbraw/zinc/40/67/79/853406779.db2.gz HHWZBGJOHPKIAA-UHFFFAOYSA-N 0 3 384.354 3.719 20 5 GHBDHN CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000760654993 853630564 /nfs/dbraw/zinc/63/05/64/853630564.db2.gz HPACXDGJULGTLV-INIZCTEOSA-N 0 3 387.867 3.985 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCCN1C ZINC000441301596 854068903 /nfs/dbraw/zinc/06/89/03/854068903.db2.gz HQIHWLSXYQYASA-ZBFHGGJFSA-N 0 3 385.489 3.959 20 5 GHBDHN COc1ccccc1CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000165411903 855027359 /nfs/dbraw/zinc/02/73/59/855027359.db2.gz FWAIXCZLAUKYDH-UHFFFAOYSA-N 0 3 383.448 3.905 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C[C@H](C)O1 ZINC000301517233 855189623 /nfs/dbraw/zinc/18/96/23/855189623.db2.gz CDDMDDCDACUDML-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN CC(C)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000591724837 856232983 /nfs/dbraw/zinc/23/29/83/856232983.db2.gz HGLCEEBEBUUMEM-IBGZPJMESA-N 0 3 381.436 3.787 20 5 GHBDHN O=C(NC1CC1)c1ccc(CN(CCOc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000046054617 856451718 /nfs/dbraw/zinc/45/17/18/856451718.db2.gz PKPKDZRVKBQKMS-UHFFFAOYSA-N 0 3 395.459 3.530 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)o2)cc1 ZINC000281028062 862811114 /nfs/dbraw/zinc/81/11/14/862811114.db2.gz OXNLOXRNMAHDCW-RCCFBDPRSA-N 0 3 386.452 3.550 20 5 GHBDHN C[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173350500 856877769 /nfs/dbraw/zinc/87/77/69/856877769.db2.gz NFEIDICUDFFUKA-LRDDRELGSA-N 0 3 384.354 3.704 20 5 GHBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000173389284 856902056 /nfs/dbraw/zinc/90/20/56/856902056.db2.gz NCYIXRQJHYZPJE-JKSUJKDBSA-N 0 3 386.471 3.898 20 5 GHBDHN CC(C)N(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592693953 857027104 /nfs/dbraw/zinc/02/71/04/857027104.db2.gz DQKUERLFLYSIAD-OAQYLSRUSA-N 0 3 381.476 3.649 20 5 GHBDHN COc1ccc(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592694962 857028099 /nfs/dbraw/zinc/02/80/99/857028099.db2.gz QHLFAMSVXPFLGW-IBGZPJMESA-N 0 3 397.475 3.729 20 5 GHBDHN COc1c(C(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000592694611 857029294 /nfs/dbraw/zinc/02/92/94/857029294.db2.gz JEQWWBJBCHGWHN-GOSISDBHSA-N 0 3 397.475 3.729 20 5 GHBDHN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000113094964 857311844 /nfs/dbraw/zinc/31/18/44/857311844.db2.gz MRXDKGVZLOEBOJ-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN C[C@@H](O)CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000594614778 858241461 /nfs/dbraw/zinc/24/14/61/858241461.db2.gz KGJBCKYYUASHPB-LLVKDONJSA-N 0 3 395.253 3.963 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000595778963 858685355 /nfs/dbraw/zinc/68/53/55/858685355.db2.gz WQEFGEHBQHSUID-IAGOWNOFSA-N 0 3 375.469 3.558 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000463951614 858693107 /nfs/dbraw/zinc/69/31/07/858693107.db2.gz PBEZFMBDDSGMQT-APWZRJJASA-N 0 3 382.464 3.854 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000482736829 858808146 /nfs/dbraw/zinc/80/81/46/858808146.db2.gz QIAZCBGYKVGNET-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN Cc1ccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000060221150 858956832 /nfs/dbraw/zinc/95/68/32/858956832.db2.gz SHCJYQVAXWOMTM-UHFFFAOYSA-N 0 3 385.489 3.747 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1cc(Cl)ccc1N1CCOCC1 ZINC000466361198 859225857 /nfs/dbraw/zinc/22/58/57/859225857.db2.gz QVIHCSOCQLMDII-HWKANZROSA-N 0 3 387.867 3.888 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000601621996 859384684 /nfs/dbraw/zinc/38/46/84/859384684.db2.gz QMZLDIZWGVYMLJ-UHFFFAOYSA-N 0 3 375.450 3.639 20 5 GHBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000611155150 859627638 /nfs/dbraw/zinc/62/76/38/859627638.db2.gz NGRYFCUBBHMYDO-NRFANRHFSA-N 0 3 396.491 3.664 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCCN(C[C@H]4CCCO4)CC3)o2)c1 ZINC000611254069 859665006 /nfs/dbraw/zinc/66/50/06/859665006.db2.gz MQVUEDVSLHNYIL-LJQANCHMSA-N 0 3 385.464 3.542 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345745 881469242 /nfs/dbraw/zinc/46/92/42/881469242.db2.gz LKHMIKLGESYLAI-GOEBONIOSA-N 0 3 378.469 3.588 20 5 GHBDHN O=C(CCN1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185307267 859897697 /nfs/dbraw/zinc/89/76/97/859897697.db2.gz NDBRVEQQUXBZBN-CYBMUJFWSA-N 0 3 375.375 3.691 20 5 GHBDHN C[C@H](NCc1ccc(C(N)=O)nc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484305156 859923727 /nfs/dbraw/zinc/92/37/27/859923727.db2.gz UTZDSKWBSMFUOJ-LBPRGKRZSA-N 0 3 382.445 3.668 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCOCC3CCOCC3)cs2)c1 ZINC000123403935 859951831 /nfs/dbraw/zinc/95/18/31/859951831.db2.gz CLTOOKNOOZYDFH-UHFFFAOYSA-N 0 3 391.493 3.641 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCCCO4)n2)cc1 ZINC000904624369 860524027 /nfs/dbraw/zinc/52/40/27/860524027.db2.gz MXDLRKHJGIBEHL-UHFFFAOYSA-N 0 3 396.403 3.535 20 5 GHBDHN Cn1cc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000896226714 860554660 /nfs/dbraw/zinc/55/46/60/860554660.db2.gz HZDBVZSJLIXQRR-MRXNPFEDSA-N 0 3 398.360 3.862 20 5 GHBDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000544369152 860736655 /nfs/dbraw/zinc/73/66/55/860736655.db2.gz ZKNWOIWIABLIDE-CYBMUJFWSA-N 0 3 376.409 3.637 20 5 GHBDHN CC[C@H](N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000532234538 881588039 /nfs/dbraw/zinc/58/80/39/881588039.db2.gz XCRLQDJZQBTZLV-WTNAPCKOSA-N 0 3 383.492 3.925 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000439673920 863182977 /nfs/dbraw/zinc/18/29/77/863182977.db2.gz OJXYKMMQJCKURA-CSMYWGQOSA-N 0 3 395.887 3.903 20 5 GHBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2ccccc2s1 ZINC000184352855 864365712 /nfs/dbraw/zinc/36/57/12/864365712.db2.gz XIMLAVBBOPGJEV-LLVKDONJSA-N 0 3 399.428 3.828 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475288231 864719332 /nfs/dbraw/zinc/71/93/32/864719332.db2.gz XVPWWGJCXXSQHJ-FXAWDEMLSA-N 0 3 396.491 3.880 20 5 GHBDHN CCN1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000555125613 865567775 /nfs/dbraw/zinc/56/77/75/865567775.db2.gz NIJCTIZBQATMBA-LPHOPBHVSA-N 0 3 379.382 3.937 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000475545091 866231422 /nfs/dbraw/zinc/23/14/22/866231422.db2.gz DEOJFSUKYDHMLB-FUHWJXTLSA-N 0 3 382.464 3.996 20 5 GHBDHN COC(=O)COc1ccc(CN(C)[C@H](C)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000475558617 866276990 /nfs/dbraw/zinc/27/69/90/866276990.db2.gz HBUCKPDUVOTZBL-MRXNPFEDSA-N 0 3 386.448 3.956 20 5 GHBDHN Cn1nccc1[C@@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000857061144 881976263 /nfs/dbraw/zinc/97/62/63/881976263.db2.gz KQBGGURSCAEGAT-NRFANRHFSA-N 0 3 396.447 3.534 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183600998 866891728 /nfs/dbraw/zinc/89/17/28/866891728.db2.gz MHBIEPHIDBWUBA-ZDUSSCGKSA-N 0 3 399.838 3.723 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNC[C@@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000742375155 867267483 /nfs/dbraw/zinc/26/74/83/867267483.db2.gz JMHADIDGANGVMC-OAQYLSRUSA-N 0 3 381.432 3.953 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534966141 867841606 /nfs/dbraw/zinc/84/16/06/867841606.db2.gz FKMPUFKMYZMXCG-HOCLYGCPSA-N 0 3 378.432 3.641 20 5 GHBDHN COc1cc(CN[C@H]2CCCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000553856068 868339666 /nfs/dbraw/zinc/33/96/66/868339666.db2.gz REDIARQVVDXJKQ-NSHDSACASA-N 0 3 380.388 3.530 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2CNCc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000479883690 868679106 /nfs/dbraw/zinc/67/91/06/868679106.db2.gz FVPUYQBJIPDOAA-IYBDPMFKSA-N 0 3 387.455 3.633 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000446183137 869513490 /nfs/dbraw/zinc/51/34/90/869513490.db2.gz OVWDOOBRYLNUOT-WMLDXEAASA-N 0 3 387.867 3.949 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000462489125 869544971 /nfs/dbraw/zinc/54/49/71/869544971.db2.gz YBYMVXAZLSVTDH-XLIONFOSSA-N 0 3 381.476 3.683 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCCN(Cc4ccccc4)CC3)co2)cc1 ZINC000152877291 869573829 /nfs/dbraw/zinc/57/38/29/869573829.db2.gz UTNUOFIKFGHHJZ-UHFFFAOYSA-N 0 3 392.459 3.958 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462623671 869782960 /nfs/dbraw/zinc/78/29/60/869782960.db2.gz VRQZJCUFZUQQEC-IFMALSPDSA-N 0 3 395.503 3.896 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000462628016 869788256 /nfs/dbraw/zinc/78/82/56/869788256.db2.gz PZVOQFARIDKOOH-XLIONFOSSA-N 0 3 383.492 3.800 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000462983563 870594122 /nfs/dbraw/zinc/59/41/22/870594122.db2.gz ADPBAKUYUKGFCJ-SFHVURJKSA-N 0 3 375.513 3.742 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000540189981 870682975 /nfs/dbraw/zinc/68/29/75/870682975.db2.gz YRWAIASPFROQHX-FZKQIMNGSA-N 0 3 387.411 3.955 20 5 GHBDHN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000540388733 871148429 /nfs/dbraw/zinc/14/84/29/871148429.db2.gz VGFAYKLBTZQQFX-LLVKDONJSA-N 0 3 377.347 3.522 20 5 GHBDHN CCOc1cc(CN2[C@@H](C)C[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000525996893 871838000 /nfs/dbraw/zinc/83/80/00/871838000.db2.gz REJWKNDGQPZZHH-GJZGRUSLSA-N 0 3 388.468 3.560 20 5 GHBDHN COc1cccc2c1OC[C@@H](NCc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000609122367 872897127 /nfs/dbraw/zinc/89/71/27/872897127.db2.gz XOYHAFSSCOKWMP-HNNXBMFYSA-N 0 3 380.400 3.957 20 5 GHBDHN CC(C)(C)O[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001196123215 872909010 /nfs/dbraw/zinc/90/90/10/872909010.db2.gz DUSXTDYHNXJIEW-CVEARBPZSA-N 0 3 395.887 3.903 20 5 GHBDHN CC(C)CNC(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000768231833 873180831 /nfs/dbraw/zinc/18/08/31/873180831.db2.gz ZTUSARGYODFZDN-UHFFFAOYSA-N 0 3 385.464 3.839 20 5 GHBDHN O=C(Nc1cc2cccnc2c2ncccc12)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001197611621 873912404 /nfs/dbraw/zinc/91/24/04/873912404.db2.gz ZFQWWOLDVXUOQE-LJQANCHMSA-N 0 3 398.466 3.602 20 5 GHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000541780370 874251915 /nfs/dbraw/zinc/25/19/15/874251915.db2.gz LPDMKZMHXPKIHJ-HNNXBMFYSA-N 0 3 378.429 3.754 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000464707942 874335091 /nfs/dbraw/zinc/33/50/91/874335091.db2.gz HGAJMISRTBCVQB-UHFFFAOYSA-N 0 3 396.491 3.940 20 5 GHBDHN C[C@@H]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1Cc1ccccc1 ZINC000464902245 874713433 /nfs/dbraw/zinc/71/34/33/874713433.db2.gz QZYRHAHLHGTYCZ-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN Cc1ccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549936837 875987476 /nfs/dbraw/zinc/98/74/76/875987476.db2.gz ZVFHIXDYHXROIU-UHFFFAOYSA-N 0 3 382.869 3.510 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H]2COc2ccc(Cl)cc2)cc1 ZINC000776273778 876136627 /nfs/dbraw/zinc/13/66/27/876136627.db2.gz AKHWZTQENQFNLO-HKUYNNGSSA-N 0 3 376.840 3.825 20 5 GHBDHN CN1CCN(Cc2ccc(CNc3nccc4c3cccc4[N+](=O)[O-])cc2)CC1 ZINC000450257369 876155677 /nfs/dbraw/zinc/15/56/77/876155677.db2.gz LEXYGPAFAPVIHB-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN O=C1NCCCN1c1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000850575133 877040970 /nfs/dbraw/zinc/04/09/70/877040970.db2.gz QUSILHLUBANSPV-FQEVSTJZSA-N 0 3 380.448 3.682 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000787405537 877399425 /nfs/dbraw/zinc/39/94/25/877399425.db2.gz FRQHBKOKDCBABC-XBNGYDHASA-N 0 3 375.469 3.845 20 5 GHBDHN O=C([C@H](Cc1ccccc1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000192790040 877954716 /nfs/dbraw/zinc/95/47/16/877954716.db2.gz YBLMHJKMLYDPIB-VXKWHMMOSA-N 0 3 393.487 3.796 20 5 GHBDHN COc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1Br ZINC000788583487 878185569 /nfs/dbraw/zinc/18/55/69/878185569.db2.gz KYHLPAORHPYKPG-JTQLQIEISA-N 0 3 380.242 3.799 20 5 GHBDHN O=C(N1CCC[C@H](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1)C(F)(F)F ZINC000852602633 878458388 /nfs/dbraw/zinc/45/83/88/878458388.db2.gz CJGZDYMSWVZTHG-HNNXBMFYSA-N 0 3 399.413 3.608 20 5 GHBDHN O=C(N1CCC[C@H](C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1)C(F)(F)F ZINC000852601862 878458747 /nfs/dbraw/zinc/45/87/47/878458747.db2.gz VRTZVAYTUPRUJP-INIZCTEOSA-N 0 3 399.413 3.608 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2CCC[C@]2(C)CO)cc1OC ZINC000493573859 879526647 /nfs/dbraw/zinc/52/66/47/879526647.db2.gz QWWXZZSUHJPDHY-VHKYSDTDSA-N 0 3 380.485 3.669 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000494049522 879855925 /nfs/dbraw/zinc/85/59/25/879855925.db2.gz NQHYVGBSBZNDPL-KUHUBIRLSA-N 0 3 387.867 3.570 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000531965826 880831949 /nfs/dbraw/zinc/83/19/49/880831949.db2.gz GEXNSNZBDCWHQS-GCJKJVERSA-N 0 3 382.508 3.543 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000114110649 881100674 /nfs/dbraw/zinc/10/06/74/881100674.db2.gz DTYXMMSXSNQUIE-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000499118006 881189096 /nfs/dbraw/zinc/18/90/96/881189096.db2.gz ZXEDVAOIFYPICD-ABSDTBQOSA-N 0 3 396.491 3.926 20 5 GHBDHN O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1cccc(CN2CCCC2)c1 ZINC000805923231 884223015 /nfs/dbraw/zinc/22/30/15/884223015.db2.gz HFBWDORVLXOOBA-NRFANRHFSA-N 0 3 395.459 3.626 20 5 GHBDHN CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CN2CCC1CC2 ZINC000494952331 884277690 /nfs/dbraw/zinc/27/76/90/884277690.db2.gz CUBQAPCZLUDJLP-FQEVSTJZSA-N 0 3 397.500 3.912 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000248878338 884893186 /nfs/dbraw/zinc/89/31/86/884893186.db2.gz RJJLHEOVOOIXRU-RDTXWAMCSA-N 0 3 385.489 3.567 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1[C@H]1CCOC1 ZINC000860855354 885054984 /nfs/dbraw/zinc/05/49/84/885054984.db2.gz YCZGDHCBEBQFBC-VCBZYWHSSA-N 0 3 390.411 3.769 20 5 GHBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)s1 ZINC000026250981 885355361 /nfs/dbraw/zinc/35/53/61/885355361.db2.gz JLCVBWYVMDEGOQ-UHFFFAOYSA-N 0 3 398.282 3.879 20 5 GHBDHN O=[N+]([O-])c1cc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cs1 ZINC000237893283 885865303 /nfs/dbraw/zinc/86/53/03/885865303.db2.gz PBSGXIIGYKFRLG-UHFFFAOYSA-N 0 3 386.399 3.829 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000556885833 886460049 /nfs/dbraw/zinc/46/00/49/886460049.db2.gz NFFIZBMPNVQFEM-MOXGXCLJSA-N 0 3 380.448 3.912 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000542572349 886848911 /nfs/dbraw/zinc/84/89/11/886848911.db2.gz CEXJHZKTNLYWDR-JLTOFOAXSA-N 0 3 387.455 3.819 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000542572352 886849146 /nfs/dbraw/zinc/84/91/46/886849146.db2.gz CEXJHZKTNLYWDR-XOBRGWDASA-N 0 3 387.455 3.819 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000129661232 887332896 /nfs/dbraw/zinc/33/28/96/887332896.db2.gz LBQUKJOGLWTXAE-YVEFUNNKSA-N 0 3 377.441 3.608 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c(CN(C)C)c1 ZINC000122744984 887624112 /nfs/dbraw/zinc/62/41/12/887624112.db2.gz GDAUWIJYCGLHSN-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)CC1 ZINC000916565145 889141801 /nfs/dbraw/zinc/14/18/01/889141801.db2.gz ZQTVUTIOSDGNDA-UHFFFAOYSA-N 0 3 388.855 3.642 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000872090488 891150863 /nfs/dbraw/zinc/15/08/63/891150863.db2.gz PSZLUJVCOVSZSL-MZKGEVEHSA-N 0 3 375.450 3.598 20 5 GHBDHN CC(COC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)[N+](=O)[O-] ZINC000813113129 891306276 /nfs/dbraw/zinc/30/62/76/891306276.db2.gz XNDJZAINSHZKBO-JTQLQIEISA-N 0 3 383.326 3.591 20 5 GHBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000288284197 913717550 /nfs/dbraw/zinc/71/75/50/913717550.db2.gz HKNCKKUMHNLSJX-HOTGVXAUSA-N 0 3 375.472 3.792 20 5 GHBDHN CCCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000878125351 894036524 /nfs/dbraw/zinc/03/65/24/894036524.db2.gz LATDTRMYXGGIFD-ZTFGCOKTSA-N 0 3 386.452 3.670 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000563854051 894262298 /nfs/dbraw/zinc/26/22/98/894262298.db2.gz UGBOIAWTEYCVBN-QGZVFWFLSA-N 0 3 396.491 3.787 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000564136077 894638660 /nfs/dbraw/zinc/63/86/60/894638660.db2.gz JOQZOXZDYVPPBI-CYBMUJFWSA-N 0 3 376.844 3.890 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102384 895515812 /nfs/dbraw/zinc/51/58/12/895515812.db2.gz ZDEVNHOSJTZQCS-LBPRGKRZSA-N 0 3 396.369 3.996 20 5 GHBDHN O=C(CCN[C@@H]1CC2(CCC2)Oc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000819154429 896410367 /nfs/dbraw/zinc/41/03/67/896410367.db2.gz PVTFKDAKNBNAQO-QGZVFWFLSA-N 0 3 381.432 3.960 20 5 GHBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000567915312 897485937 /nfs/dbraw/zinc/48/59/37/897485937.db2.gz NMCVTCYITUZUIP-QRWLVFNGSA-N 0 3 398.482 3.824 20 5 GHBDHN C[C@@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000569998522 899062283 /nfs/dbraw/zinc/06/22/83/899062283.db2.gz MJDDKYMSZFTGNZ-MRXNPFEDSA-N 0 3 397.475 3.541 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1ncccc1C)C(C)C ZINC000118839883 899481680 /nfs/dbraw/zinc/48/16/80/899481680.db2.gz GEEPMLNNFDKSAJ-LJQANCHMSA-N 0 3 386.452 3.622 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134156208 899667177 /nfs/dbraw/zinc/66/71/77/899667177.db2.gz UXHHZLKGRRIJRK-HZPDHXFCSA-N 0 3 393.484 3.599 20 5 GHBDHN Cn1nccc1[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000825046227 899950480 /nfs/dbraw/zinc/95/04/80/899950480.db2.gz RDJONUUJBDZHCZ-DOMZBBRYSA-N 0 3 385.251 3.645 20 5 GHBDHN Cn1nccc1[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000825046230 899950662 /nfs/dbraw/zinc/95/06/62/899950662.db2.gz RDJONUUJBDZHCZ-WFASDCNBSA-N 0 3 385.251 3.645 20 5 GHBDHN CC(C)n1ncc2cc(C(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])cnc21 ZINC000845873810 902475190 /nfs/dbraw/zinc/47/51/90/902475190.db2.gz WRSUFUIALDCAQC-PXAZEXFGSA-N 0 3 386.383 3.715 20 5 GHBDHN COc1ccc(/C=C/C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845873614 902475437 /nfs/dbraw/zinc/47/54/37/902475437.db2.gz VKVAMEIAFQFNQM-PRQKPKABSA-N 0 3 389.379 3.806 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F)[N+](=O)[O-] ZINC000845874258 902478123 /nfs/dbraw/zinc/47/81/23/902478123.db2.gz GNKFDSMNBSNZCJ-WVQJBOLRSA-N 0 3 394.330 3.926 20 5 GHBDHN CC(C)NC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845880618 902483828 /nfs/dbraw/zinc/48/38/28/902483828.db2.gz XBUIDCJOAWDVDJ-UGSOOPFHSA-N 0 3 388.395 3.527 20 5 GHBDHN CC([C@H](OC(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1F)[N+](=O)[O-] ZINC000845880184 902483878 /nfs/dbraw/zinc/48/38/78/902483878.db2.gz ZGGIJOFIQFIRSF-BUXKBTBVSA-N 0 3 386.379 3.664 20 5 GHBDHN Cc1nn(C(C)C)c(C)c1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883353 902486822 /nfs/dbraw/zinc/48/68/22/902486822.db2.gz SNUFHYMWIIBLSV-AUUYWEPGSA-N 0 3 377.416 3.712 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccnc(N3CCSCC3)c1)CCC2 ZINC000601302801 903554248 /nfs/dbraw/zinc/55/42/48/903554248.db2.gz WFXANUOBYKIANC-IBGZPJMESA-N 0 3 384.505 3.710 20 5 GHBDHN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[C@@H](N2CCCCC2)C1 ZINC001147013078 903667056 /nfs/dbraw/zinc/66/70/56/903667056.db2.gz QHPGMIZLYPALDP-SNVBAGLBSA-N 0 3 390.242 3.741 20 5 GHBDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216399550 904687978 /nfs/dbraw/zinc/68/79/78/904687978.db2.gz VNFNAJAFBWREON-ZDUSSCGKSA-N 0 3 385.247 3.773 20 5 GHBDHN CN(CCCN(C)c1c(Br)cccc1[N+](=O)[O-])Cc1ccncc1 ZINC001186896662 914859621 /nfs/dbraw/zinc/85/96/21/914859621.db2.gz RYMAUUMLBNYGEF-UHFFFAOYSA-N 0 3 393.285 3.711 20 5 GHBDHN CSc1ncc(Cl)c(CN[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172901443 905923485 /nfs/dbraw/zinc/92/34/85/905923485.db2.gz IERNWCPEHRFFFB-ZDUSSCGKSA-N 0 3 378.885 3.797 20 5 GHBDHN NCc1c(F)cccc1NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012750 906090022 /nfs/dbraw/zinc/09/00/22/906090022.db2.gz YOKOICIOVJWCNM-UHFFFAOYSA-N 0 3 380.370 3.552 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cc(OC(C)C)ccn2)c1F ZINC001173177946 906255046 /nfs/dbraw/zinc/25/50/46/906255046.db2.gz FVLPSMLCGUSJSR-ZDUSSCGKSA-N 0 3 377.416 3.646 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)Cc2ccc3c(c2)OCO3)c1F ZINC001173195397 906280882 /nfs/dbraw/zinc/28/08/82/906280882.db2.gz FMDCTOSLOQUIDY-GFCCVEGCSA-N 0 3 376.384 3.534 20 5 GHBDHN COc1cc(CNC(C)(C)[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC001175531204 907605719 /nfs/dbraw/zinc/60/57/19/907605719.db2.gz ICRNVFPISLBZSX-INIZCTEOSA-N 0 3 388.411 3.685 20 5 GHBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000195724744 909037365 /nfs/dbraw/zinc/03/73/65/909037365.db2.gz BICHMIWNBAVFHZ-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN COc1cc(F)c([N+](=O)[O-])c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000795199284 909076760 /nfs/dbraw/zinc/07/67/60/909076760.db2.gz VLEGZXPVUIGKKT-UHFFFAOYSA-N 0 3 391.365 3.960 20 5 GHBDHN Cc1c(NC(=O)CCNC(C)(C)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000795237845 909411937 /nfs/dbraw/zinc/41/19/37/909411937.db2.gz TZGBOHAOPVYVCJ-UHFFFAOYSA-N 0 3 386.408 3.665 20 5 GHBDHN COC(=O)c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC001180093502 909912922 /nfs/dbraw/zinc/91/29/22/909912922.db2.gz TYRJMGBNVHUXTQ-UHFFFAOYSA-N 0 3 384.432 3.733 20 5 GHBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000269454446 910274122 /nfs/dbraw/zinc/27/41/22/910274122.db2.gz DQOIZTFIERCZDA-UHFFFAOYSA-N 0 3 387.402 3.806 20 5 GHBDHN O=C(c1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)N1CCCC1 ZINC000774148842 911450031 /nfs/dbraw/zinc/45/00/31/911450031.db2.gz DBABVGKYWQTIBW-OAQYLSRUSA-N 0 3 379.460 3.998 20 5 GHBDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000284191095 911784567 /nfs/dbraw/zinc/78/45/67/911784567.db2.gz RPDSOHBTKJSFLR-IUUKEHGRSA-N 0 3 384.436 3.698 20 5 GHBDHN O=C(CN1CCC[C@@H]1CCCc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001192214428 918543642 /nfs/dbraw/zinc/54/36/42/918543642.db2.gz OVAQGURQEPPGAR-FQEVSTJZSA-N 0 3 393.487 3.971 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(OC[C@H]4CCOC4)CC3)o2)c1 ZINC000363842198 918907918 /nfs/dbraw/zinc/90/79/18/918907918.db2.gz BTORWKOVYXBNHI-INIZCTEOSA-N 0 3 386.448 3.872 20 5 GHBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000015168789 919365093 /nfs/dbraw/zinc/36/50/93/919365093.db2.gz ZMUXUEBTMHHSQS-IBGZPJMESA-N 0 3 386.408 3.761 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([C@@H](O)c4ncc[nH]4)CC3)o2)cc1 ZINC000369135013 923138684 /nfs/dbraw/zinc/13/86/84/923138684.db2.gz RSCZFRZUINYLHB-LJQANCHMSA-N 0 3 382.420 3.524 20 5 GHBDHN CCc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000411285786 926272572 /nfs/dbraw/zinc/27/25/72/926272572.db2.gz SQSFZUZJFXLJGZ-CYBMUJFWSA-N 0 3 376.482 3.944 20 5 GHBDHN COc1cc(CN2CCC3(CCO3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000374375284 927071431 /nfs/dbraw/zinc/07/14/31/927071431.db2.gz ZNVBEFDQKLRJJE-UHFFFAOYSA-N 0 3 398.459 3.937 20 5 GHBDHN COc1ccc(CN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@@H](C)C2CC2)cc1 ZINC000749945441 927362642 /nfs/dbraw/zinc/36/26/42/927362642.db2.gz ODRJXSLPSFXTTG-HNNXBMFYSA-N 0 3 395.463 3.915 20 5 GHBDHN Cc1nn(CN2CCC[C@H](Cc3ccc(C)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749951060 927367801 /nfs/dbraw/zinc/36/78/01/927367801.db2.gz XTNXMUAVQNAOPI-GOSISDBHSA-N 0 3 379.464 3.869 20 5 GHBDHN CCOC(=O)C1(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCC1 ZINC000544365963 929095063 /nfs/dbraw/zinc/09/50/63/929095063.db2.gz OXCSAAQUAGTCEC-UHFFFAOYSA-N 0 3 388.420 3.686 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000544519533 929253857 /nfs/dbraw/zinc/25/38/57/929253857.db2.gz VMXCRPFSBQMKPJ-UFYHVXEKSA-N 0 3 389.839 3.730 20 5 GHBDHN CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757113795 929652839 /nfs/dbraw/zinc/65/28/39/929652839.db2.gz ZJQHVXGPFUUVQP-MAUKXSAKSA-N 0 3 393.484 3.599 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000546614313 930296519 /nfs/dbraw/zinc/29/65/19/930296519.db2.gz NTMQMJMBBUUPAJ-QGZVFWFLSA-N 0 3 385.464 3.872 20 5 GHBDHN COc1ccc([C@@H](CN2CCCC2)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000780909435 930636151 /nfs/dbraw/zinc/63/61/51/930636151.db2.gz OIFDODKOKKSIAT-GOSISDBHSA-N 0 3 386.408 3.761 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000797081651 932173899 /nfs/dbraw/zinc/17/38/99/932173899.db2.gz XHFPBYIGHCYVED-YLJYHZDGSA-N 0 3 394.475 3.540 20 5 GHBDHN CCO[C@@H]1CCCC[C@H]1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000452047858 1014545737 /nfs/dbraw/zinc/54/57/37/1014545737.db2.gz GARNJSKJUXFZPD-UKRRQHHQSA-N 0 3 388.411 3.685 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000547277440 1016879151 /nfs/dbraw/zinc/87/91/51/1016879151.db2.gz JMOSDJGVVYIHSF-DOTOQJQBSA-N 0 3 399.466 3.791 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1 ZINC001227046201 1032251401 /nfs/dbraw/zinc/25/14/01/1032251401.db2.gz GFKXZHNTRBVUOY-MGPUTAFESA-N 0 3 384.432 3.671 20 5 GHBDHN Cc1nc(Cl)nc(O[C@H](c2ccccc2)[C@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC001227336050 1032379184 /nfs/dbraw/zinc/37/91/84/1032379184.db2.gz YUTITNNKNDABEK-BBRMVZONSA-N 0 3 376.844 3.951 20 5 GHBDHN CN(CCN(C)C(=O)c1ccnc2c1ccc1cccnc12)Cc1ccccc1 ZINC001155810292 1032718161 /nfs/dbraw/zinc/71/81/61/1032718161.db2.gz JBTSUGFHBNAGHB-UHFFFAOYSA-N 0 3 384.483 3.987 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000754063559 1022453520 /nfs/dbraw/zinc/45/35/20/1022453520.db2.gz KETHRXSNNDNONN-NUTQULCTSA-N 0 3 379.460 3.951 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000754451654 1022714118 /nfs/dbraw/zinc/71/41/18/1022714118.db2.gz DGVJVXYTJOTCKU-UHFFFAOYSA-N 0 3 384.480 3.850 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000755143188 1023094612 /nfs/dbraw/zinc/09/46/12/1023094612.db2.gz WOWYISOBVLISRB-PZJWPPBQSA-N 0 3 379.460 3.670 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)N(C)C)cc1 ZINC000756933723 1023873609 /nfs/dbraw/zinc/87/36/09/1023873609.db2.gz HTDGAKPXONQRCS-SFHVURJKSA-N 0 3 390.871 3.659 20 5 GHBDHN COc1cc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC001161929626 1025501886 /nfs/dbraw/zinc/50/18/86/1025501886.db2.gz GVQPMYQYLGJRSS-HNNXBMFYSA-N 0 3 377.466 3.923 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000839301639 1025788484 /nfs/dbraw/zinc/78/84/84/1025788484.db2.gz LSNLJUKVUKLXAE-ZDUSSCGKSA-N 0 3 389.839 3.526 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])N(C)C)cc1 ZINC001163419712 1026187667 /nfs/dbraw/zinc/18/76/67/1026187667.db2.gz PAUWRUNQRAFFMQ-OAHLLOKOSA-N 0 3 389.481 3.806 20 5 GHBDHN C[C@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1Cc1ccccc1 ZINC001165202792 1026664394 /nfs/dbraw/zinc/66/43/94/1026664394.db2.gz OXKCXMRMGOBRCT-HOTGVXAUSA-N 0 3 377.448 3.637 20 5 GHBDHN Cc1ccc([C@@H](C)NCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001461259096 1069466021 /nfs/dbraw/zinc/46/60/21/1069466021.db2.gz XYFLHTAXLDVZHU-CYBMUJFWSA-N 0 3 380.404 3.873 20 5 GHBDHN COc1cc(CNC[C@@]2(C)CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001203889380 1027683989 /nfs/dbraw/zinc/68/39/89/1027683989.db2.gz FQUKNBBDRSSRJC-MRXNPFEDSA-N 0 3 392.374 3.593 20 5 GHBDHN CC(=O)Nc1c(C)ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c1[N+](=O)[O-] ZINC001216512551 1029666402 /nfs/dbraw/zinc/66/64/02/1029666402.db2.gz CHVDSKKWXOLQEO-UHFFFAOYSA-N 0 3 395.419 3.640 20 5 GHBDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223871222 1030783790 /nfs/dbraw/zinc/78/37/90/1030783790.db2.gz XODNWGYGBOHYFS-QZTJIDSGSA-N 0 3 396.491 3.819 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001205503548 1033443031 /nfs/dbraw/zinc/44/30/31/1033443031.db2.gz BSQLIMPPKGOQES-UHFFFAOYSA-N 0 3 393.443 3.954 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001206034507 1033696138 /nfs/dbraw/zinc/69/61/38/1033696138.db2.gz NNPNKQIIVDKDKD-QAPCUYQASA-N 0 3 382.464 3.942 20 5 GHBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543618610 1039777119 /nfs/dbraw/zinc/77/71/19/1039777119.db2.gz YVTFRQVZHUZTDP-INIZCTEOSA-N 0 3 377.510 3.701 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@]12CCCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595128 1040367676 /nfs/dbraw/zinc/36/76/76/1040367676.db2.gz VLLXRXNSGMXCAZ-WIYYLYMNSA-N 0 3 387.480 3.537 20 5 GHBDHN O=C1OC2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2ccc(Cl)cc21 ZINC001254609613 1040381828 /nfs/dbraw/zinc/38/18/28/1040381828.db2.gz YDGCFUZAYSQFGX-QGZVFWFLSA-N 0 3 398.846 3.877 20 5 GHBDHN CCN1CCN(c2cccc(Nc3cc(C)c([N+](=O)[O-])cc3C(=O)OC)c2)CC1 ZINC001307103586 1049076971 /nfs/dbraw/zinc/07/69/71/1049076971.db2.gz LJSZEOAUPXOZTR-UHFFFAOYSA-N 0 3 398.463 3.575 20 5 GHBDHN CC[C@@H](C)N[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)c1ccco1 ZINC001307118574 1049087703 /nfs/dbraw/zinc/08/77/03/1049087703.db2.gz MVANJWHDRBTYLB-CZUORRHYSA-N 0 3 375.425 3.824 20 5 GHBDHN COC1(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCCC1 ZINC001308642481 1050044467 /nfs/dbraw/zinc/04/44/67/1050044467.db2.gz DETRVWFZFYDIQF-UHFFFAOYSA-N 0 3 387.402 3.695 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC001331731882 1051363529 /nfs/dbraw/zinc/36/35/29/1051363529.db2.gz ZMXVGVDMKFLVJM-SJORKVTESA-N 0 3 385.247 3.648 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001312024256 1052535366 /nfs/dbraw/zinc/53/53/66/1052535366.db2.gz KDOJXIKGZBAFKZ-XLIONFOSSA-N 0 3 396.491 3.928 20 5 GHBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320837229 1055981783 /nfs/dbraw/zinc/98/17/83/1055981783.db2.gz QENFVHTVQPQTOR-HIFRSBDPSA-N 0 3 378.812 3.940 20 5 GHBDHN COc1ccccc1C1(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC001323506501 1056979031 /nfs/dbraw/zinc/97/90/31/1056979031.db2.gz WONPKVHJZLRQOH-OAHLLOKOSA-N 0 3 383.448 3.990 20 5 GHBDHN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(CN2CCCC2)c1 ZINC001324429559 1057131583 /nfs/dbraw/zinc/13/15/83/1057131583.db2.gz VXXQRNDBVNOJQV-UHFFFAOYSA-N 0 3 381.432 3.792 20 5 GHBDHN CC1CCN(c2ccc(-c3nc([C@H]4CN5CCC4CC5)no3)cc2[N+](=O)[O-])CC1 ZINC001325470108 1057331866 /nfs/dbraw/zinc/33/18/66/1057331866.db2.gz MLNAABQMCYGKMI-KRWDZBQOSA-N 0 3 397.479 3.690 20 5 GHBDHN C[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC001457563028 1063247904 /nfs/dbraw/zinc/24/79/04/1063247904.db2.gz ZCWSXNQZSMRSSB-MRXNPFEDSA-N 0 3 382.464 3.943 20 5 GHBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)C[C@@H]21 ZINC001436341982 1063395469 /nfs/dbraw/zinc/39/54/69/1063395469.db2.gz YCYOFCNCBXEIFX-QAPCUYQASA-N 0 3 389.521 3.653 20 5 GHBDHN CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCC(C)CC1 ZINC001458098651 1063565783 /nfs/dbraw/zinc/56/57/83/1063565783.db2.gz IKPLIPIUXBYIMM-HNNXBMFYSA-N 0 3 385.306 3.921 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001464141808 1064854548 /nfs/dbraw/zinc/85/45/48/1064854548.db2.gz ROZMGMRTFCDNIZ-CEXWTWQISA-N 0 3 387.505 3.959 20 5 GHBDHN CN(CCN1CCCCC1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001300155574 1065491938 /nfs/dbraw/zinc/49/19/38/1065491938.db2.gz SVAOJKMRRXQONJ-UHFFFAOYSA-N 0 3 382.464 3.896 20 5 GHBDHN CCN(C)C(=O)[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)C ZINC001474154659 1067588733 /nfs/dbraw/zinc/58/87/33/1067588733.db2.gz LRLROKYRXZXXQX-SFHVURJKSA-N 0 3 375.494 3.916 20 5 GHBDHN Cc1c(CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001460750185 1069154596 /nfs/dbraw/zinc/15/45/96/1069154596.db2.gz JCTCBWURTZPELI-OXJNMPFZSA-N 0 3 375.469 3.592 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])c(NCCCN2CCc3ccccc3C2)cc1C ZINC001472655149 1073598541 /nfs/dbraw/zinc/59/85/41/1073598541.db2.gz AQICIRDHNIYNGN-UHFFFAOYSA-N 0 3 397.475 3.940 20 5 GHBDHN CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc2C1 ZINC001473119913 1073789915 /nfs/dbraw/zinc/78/99/15/1073789915.db2.gz PCEWONATFNFCLV-HXUWFJFHSA-N 0 3 393.487 3.753 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC001473290029 1073908912 /nfs/dbraw/zinc/90/89/12/1073908912.db2.gz SZAUFNNQKJNENU-HRCADAONSA-N 0 3 379.501 3.553 20 5 GHBDHN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473507326 1073994049 /nfs/dbraw/zinc/99/40/49/1073994049.db2.gz XGICMXMHKULCOE-GQIGUUNPSA-N 0 3 379.460 3.750 20 5 GHBDHN COc1ccc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC001473884911 1074190535 /nfs/dbraw/zinc/19/05/35/1074190535.db2.gz CKARORIJXGGUOT-CQSZACIVSA-N 0 3 387.436 3.600 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001474612579 1074484172 /nfs/dbraw/zinc/48/41/72/1074484172.db2.gz MCGXLADQPBRUQG-GOTSBHOMSA-N 0 3 395.503 3.687 20 5 GHBDHN Cc1c([C@H](C)[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000822021009 607019373 /nfs/dbraw/zinc/01/93/73/607019373.db2.gz RDWNOWZYNXBVFT-AWEZNQCLSA-N 0 3 398.492 3.667 20 5 GHBDHN COCCO[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000188812591 837723820 /nfs/dbraw/zinc/72/38/20/837723820.db2.gz LJRDKVNZFPOSKQ-CQSZACIVSA-N 0 3 380.828 3.746 20 5 GHBDHN COCCO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000188812610 837724290 /nfs/dbraw/zinc/72/42/90/837724290.db2.gz LJRDKVNZFPOSKQ-AWEZNQCLSA-N 0 3 380.828 3.746 20 5 GHBDHN Cc1ccc(NC(=O)[C@@H](N[C@H](CCO)C(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000161824524 834859252 /nfs/dbraw/zinc/85/92/52/834859252.db2.gz BGDBZYGVAZHHPS-XLIONFOSSA-N 0 3 385.464 3.580 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H]3Cc4ccccc4O3)o2)c([N+](=O)[O-])c1 ZINC000608835707 835183569 /nfs/dbraw/zinc/18/35/69/835183569.db2.gz LWDYUQJALHGWEF-QGZVFWFLSA-N 0 3 380.400 3.957 20 5 GHBDHN CC1(C)CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc21 ZINC000536179188 835362401 /nfs/dbraw/zinc/36/24/01/835362401.db2.gz HUZDGNMQERBHCA-UHFFFAOYSA-N 0 3 381.432 3.686 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000134875943 836159577 /nfs/dbraw/zinc/15/95/77/836159577.db2.gz JKUKQUDSRCPXHX-GOEBONIOSA-N 0 3 385.489 3.710 20 5 GHBDHN CSc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000411469510 836185751 /nfs/dbraw/zinc/18/57/51/836185751.db2.gz AJHXOTRWIQFICU-ZBFHGGJFSA-N 0 3 376.478 3.716 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3ccnc3)o2)c(Br)c1 ZINC000236568675 836196489 /nfs/dbraw/zinc/19/64/89/836196489.db2.gz NRDIYSLNXKAXIZ-UHFFFAOYSA-N 0 3 391.225 3.604 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000411762138 836338462 /nfs/dbraw/zinc/33/84/62/836338462.db2.gz YRIARSVPLWWJSJ-QGZVFWFLSA-N 0 3 377.828 3.554 20 5 GHBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000612519126 836346865 /nfs/dbraw/zinc/34/68/65/836346865.db2.gz IDPSFCFENWYMRI-UHFFFAOYSA-N 0 3 377.510 3.703 20 5 GHBDHN C[C@]1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000180192402 836600361 /nfs/dbraw/zinc/60/03/61/836600361.db2.gz MBQMYOAFVACKPU-INIZCTEOSA-N 0 3 381.226 3.574 20 5 GHBDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cnn1C ZINC000431699406 836936017 /nfs/dbraw/zinc/93/60/17/836936017.db2.gz QPABQDBMVIMZFZ-AZUAARDMSA-N 0 3 382.420 3.517 20 5 GHBDHN COc1cc(CNC2Cc3ccccc3C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000186445215 837209967 /nfs/dbraw/zinc/20/99/67/837209967.db2.gz ARJYLMFJHXFYSV-UHFFFAOYSA-N 0 3 396.365 3.802 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCSc2ccc(Cl)cc21 ZINC000580372789 837329525 /nfs/dbraw/zinc/32/95/25/837329525.db2.gz NABNOSYEMOFFQX-UKRRQHHQSA-N 0 3 394.880 3.815 20 5 GHBDHN CN(C)C(=O)C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000180536424 837341316 /nfs/dbraw/zinc/34/13/16/837341316.db2.gz PPLIUCNMHFWILT-HXUWFJFHSA-N 0 3 381.476 3.922 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000468618096 837876654 /nfs/dbraw/zinc/87/66/54/837876654.db2.gz JUBVKXYKQDRIFI-JEMSNHSXSA-N 0 3 387.386 3.671 20 5 GHBDHN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N(C)C1CC1 ZINC000275760759 838757178 /nfs/dbraw/zinc/75/71/78/838757178.db2.gz FOELSZCEYSPAEJ-NSHDSACASA-N 0 3 385.414 3.584 20 5 GHBDHN CCN1CCN(Cc2ccc(CNc3ccc(C(C)=O)cc3[N+](=O)[O-])cc2)CC1 ZINC000047272517 839069286 /nfs/dbraw/zinc/06/92/86/839069286.db2.gz SRSYUQGOVHINOZ-UHFFFAOYSA-N 0 3 396.491 3.547 20 5 GHBDHN CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000580268369 839154433 /nfs/dbraw/zinc/15/44/33/839154433.db2.gz UDEYOZHGJQXCLN-KRWDZBQOSA-N 0 3 396.491 3.867 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N(C)C)cc1 ZINC000109892668 839474350 /nfs/dbraw/zinc/47/43/50/839474350.db2.gz XOXLWTQXSRVXRT-HXUWFJFHSA-N 0 3 380.448 3.671 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2SCC)c([N+](=O)[O-])c1 ZINC000190059985 839523910 /nfs/dbraw/zinc/52/39/10/839523910.db2.gz QAQLFEZEZFICFR-NVXWUHKLSA-N 0 3 381.498 3.586 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610445690 839746645 /nfs/dbraw/zinc/74/66/45/839746645.db2.gz DQSPEGJHPXRZPC-SFHVURJKSA-N 0 3 395.503 3.995 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000471622785 840280401 /nfs/dbraw/zinc/28/04/01/840280401.db2.gz UOFGKDDQZLWMMN-UHFFFAOYSA-N 0 3 396.491 3.653 20 5 GHBDHN C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000108442498 841616043 /nfs/dbraw/zinc/61/60/43/841616043.db2.gz NJJAUNMRFPKFBQ-WMLDXEAASA-N 0 3 388.493 3.854 20 5 GHBDHN Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)nc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302181973 861233141 /nfs/dbraw/zinc/23/31/41/861233141.db2.gz ODCIGGPBSKPAHW-OAHLLOKOSA-N 0 3 393.447 3.684 20 5 GHBDHN COC[C@](C)(CO)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000610518992 841855294 /nfs/dbraw/zinc/85/52/94/841855294.db2.gz MCRHDFPYCCXDFO-SFHVURJKSA-N 0 3 380.828 3.528 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000549618175 841977385 /nfs/dbraw/zinc/97/73/85/841977385.db2.gz YINYOWDYXFTLNS-GOSISDBHSA-N 0 3 386.839 3.762 20 5 GHBDHN C[C@@H](C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581918548 842685952 /nfs/dbraw/zinc/68/59/52/842685952.db2.gz DPEBRQZBCCOLAT-QZTJIDSGSA-N 0 3 381.476 3.821 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000510715508 843266373 /nfs/dbraw/zinc/26/63/73/843266373.db2.gz CXTDEPFADPCGSV-OAQYLSRUSA-N 0 3 381.476 3.716 20 5 GHBDHN O=c1ccccn1C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000500486110 843522051 /nfs/dbraw/zinc/52/20/51/843522051.db2.gz SLQFHZLLTUUBHW-VUBAQRPUSA-N 0 3 375.428 3.801 20 5 GHBDHN CCOc1cc(CN(C)C2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000276848621 843557239 /nfs/dbraw/zinc/55/72/39/843557239.db2.gz DHXWVQZJMWLMCA-UHFFFAOYSA-N 0 3 397.475 3.730 20 5 GHBDHN COc1cc(CNC[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000433201138 843825125 /nfs/dbraw/zinc/82/51/25/843825125.db2.gz UZYLSFRFQBUNFT-MRXNPFEDSA-N 0 3 385.464 3.618 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000843806804 861558219 /nfs/dbraw/zinc/55/82/19/861558219.db2.gz YIUHALUSMFLXRW-ACJLOTCBSA-N 0 3 391.468 3.917 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000421779238 846560090 /nfs/dbraw/zinc/56/00/90/846560090.db2.gz LEIZQZRKOHJASZ-UHFFFAOYSA-N 0 3 381.476 3.948 20 5 GHBDHN O=C(NC[C@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001167561940 846811386 /nfs/dbraw/zinc/81/13/86/846811386.db2.gz CHYYQNZGARRETN-HXUWFJFHSA-N 0 3 397.475 3.648 20 5 GHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000604084973 861740537 /nfs/dbraw/zinc/74/05/37/861740537.db2.gz POCKXZQYSGZBIU-SFHVURJKSA-N 0 3 378.432 3.643 20 5 GHBDHN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000502169408 847551116 /nfs/dbraw/zinc/55/11/16/847551116.db2.gz HNEOTJHVNMPNJU-ACJLOTCBSA-N 0 3 390.871 3.739 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000502184226 847574363 /nfs/dbraw/zinc/57/43/63/847574363.db2.gz DZSGTFYERKAWJQ-WBMJQRKESA-N 0 3 394.859 3.770 20 5 GHBDHN C[C@@H]1C[C@@]1(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380721 847654642 /nfs/dbraw/zinc/65/46/42/847654642.db2.gz XVHPBXWGOCRHNO-NRXGSXMXSA-N 0 3 376.840 3.513 20 5 GHBDHN CN(C)CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000176413101 849130125 /nfs/dbraw/zinc/13/01/25/849130125.db2.gz LETOUJWZGHMKDZ-UHFFFAOYSA-N 0 3 386.399 3.534 20 5 GHBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)c1ccco1 ZINC000731995650 862018060 /nfs/dbraw/zinc/01/80/60/862018060.db2.gz XFQPLQYJXHZMAO-SFHVURJKSA-N 0 3 386.452 3.575 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N2CCCC2)cc1 ZINC000061503061 862059590 /nfs/dbraw/zinc/05/95/90/862059590.db2.gz IRAQHVYSGVQFSC-OAQYLSRUSA-N 0 3 392.459 3.951 20 5 GHBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000434916017 849906715 /nfs/dbraw/zinc/90/67/15/849906715.db2.gz VSRAGCRCNDTWMU-UHFFFAOYSA-N 0 3 399.491 3.802 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000518796750 850158864 /nfs/dbraw/zinc/15/88/64/850158864.db2.gz XPFHNMKFAXWOGW-FQEVSTJZSA-N 0 3 385.439 3.937 20 5 GHBDHN COc1cc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c([N+](=O)[O-])cc1OC ZINC000435736192 850822612 /nfs/dbraw/zinc/82/26/12/850822612.db2.gz USFHCWJLJUMDST-YGUOUDRMSA-N 0 3 378.375 3.926 20 5 GHBDHN CSc1cccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425006412 850845754 /nfs/dbraw/zinc/84/57/54/850845754.db2.gz MBWMROCPHXPNKO-FUHWJXTLSA-N 0 3 397.500 3.663 20 5 GHBDHN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000434230889 850910408 /nfs/dbraw/zinc/91/04/08/850910408.db2.gz YGRQYXDLKXNCBP-WBVHZDCISA-N 0 3 399.495 3.739 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCC[C@@H]2CN2CCOCC2)o1 ZINC000514082759 851218350 /nfs/dbraw/zinc/21/83/50/851218350.db2.gz IJSLAMSWZAVJSU-QGZVFWFLSA-N 0 3 385.464 3.542 20 5 GHBDHN COc1ccc(Cl)cc1C(C)(C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000425513620 851468229 /nfs/dbraw/zinc/46/82/29/851468229.db2.gz PEVUCCRHNLHDMN-AWEZNQCLSA-N 0 3 394.855 3.521 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(CCOc3ccccc3C(F)(F)F)CC2)n1 ZINC000488743699 851729030 /nfs/dbraw/zinc/72/90/30/851729030.db2.gz IYRJQFGNBHIOKD-UHFFFAOYSA-N 0 3 384.358 3.526 20 5 GHBDHN CN(C)CCN(CC1CCCCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517893907 852585678 /nfs/dbraw/zinc/58/56/78/852585678.db2.gz UGWSCWXEHHVICW-UHFFFAOYSA-N 0 3 379.526 3.657 20 5 GHBDHN COC(=O)[C@@H](C)Oc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000507168265 852638754 /nfs/dbraw/zinc/63/87/54/852638754.db2.gz BMPCYRQMZWOIHA-MRXNPFEDSA-N 0 3 386.448 3.946 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H]3COc4ccccc4C3)o2)c([N+](=O)[O-])c1 ZINC000518290076 853168878 /nfs/dbraw/zinc/16/88/78/853168878.db2.gz JAGQOFWYCWKBLT-OAHLLOKOSA-N 0 3 380.400 3.957 20 5 GHBDHN C[C@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570933369 853650899 /nfs/dbraw/zinc/65/08/99/853650899.db2.gz UGMXBDKWWXHFCD-KKSFZXQISA-N 0 3 382.464 3.620 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000056168476 854497291 /nfs/dbraw/zinc/49/72/91/854497291.db2.gz XLBLBZFDEVORQJ-ZBFHGGJFSA-N 0 3 378.432 3.641 20 5 GHBDHN C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000553525985 855094734 /nfs/dbraw/zinc/09/47/34/855094734.db2.gz LTOGQCJHNLRIBO-ZDUSSCGKSA-N 0 3 397.928 3.673 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000591026170 855745830 /nfs/dbraw/zinc/74/58/30/855745830.db2.gz CMETWPPPEMQZBR-NWDGAFQWSA-N 0 3 389.374 3.595 20 5 GHBDHN CC(C)NC(=O)c1ccc(NC[C@@H](C)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000026730075 856250798 /nfs/dbraw/zinc/25/07/98/856250798.db2.gz LPAJRVNKDZRHMP-MRXNPFEDSA-N 0 3 396.491 3.592 20 5 GHBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCCCC1 ZINC000039536597 856457820 /nfs/dbraw/zinc/45/78/20/856457820.db2.gz WHSOTLXEAZYNCV-UHFFFAOYSA-N 0 3 384.274 3.950 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000157608268 856490553 /nfs/dbraw/zinc/49/05/53/856490553.db2.gz XMCQMDZERZAJDK-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)CCc1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000592133097 856678531 /nfs/dbraw/zinc/67/85/31/856678531.db2.gz SQOKFOOOWAANLY-FKBYEOEOSA-N 0 3 398.503 3.694 20 5 GHBDHN Cc1ccc(C[C@@H]2CCCN2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000733301323 862847535 /nfs/dbraw/zinc/84/75/35/862847535.db2.gz QOFUKDWAPMEXFY-FQEVSTJZSA-N 0 3 377.448 3.826 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000485830310 857121993 /nfs/dbraw/zinc/12/19/93/857121993.db2.gz NQCDRHZKUASKNH-QGZVFWFLSA-N 0 3 397.447 3.676 20 5 GHBDHN CSc1cccc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000486227168 857568248 /nfs/dbraw/zinc/56/82/48/857568248.db2.gz BRHJUZQAIMEQHQ-GOEBONIOSA-N 0 3 385.489 3.882 20 5 GHBDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129152946 857704683 /nfs/dbraw/zinc/70/46/83/857704683.db2.gz VAESOBOWPQFLII-OXJNMPFZSA-N 0 3 377.460 3.513 20 5 GHBDHN O=C(NCCN1CCCCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442299302 857718724 /nfs/dbraw/zinc/71/87/24/857718724.db2.gz BAGZRCOZCGCLBF-UHFFFAOYSA-N 0 3 385.489 3.962 20 5 GHBDHN C[C@@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000521469666 858026743 /nfs/dbraw/zinc/02/67/43/858026743.db2.gz MWDLREJAHWYZBW-GOSISDBHSA-N 0 3 398.507 3.862 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000184884922 858189562 /nfs/dbraw/zinc/18/95/62/858189562.db2.gz LLUYGDFMEYKDGX-MRXNPFEDSA-N 0 3 397.479 3.619 20 5 GHBDHN O=C(NC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000059402959 858361560 /nfs/dbraw/zinc/36/15/60/858361560.db2.gz IHPBVQCMIPKFME-FQEVSTJZSA-N 0 3 382.464 3.814 20 5 GHBDHN COCCCN1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000171070368 863027727 /nfs/dbraw/zinc/02/77/27/863027727.db2.gz GSOFLZBREAHXKE-UHFFFAOYSA-N 0 3 397.475 3.739 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000575084829 858578922 /nfs/dbraw/zinc/57/89/22/858578922.db2.gz IEYITKUKWHNLHQ-UZLBHIALSA-N 0 3 396.491 3.792 20 5 GHBDHN CC(C)(C)O[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000595778774 858684897 /nfs/dbraw/zinc/68/48/97/858684897.db2.gz VCTPVUYZZZLGPY-HOTGVXAUSA-N 0 3 395.887 3.903 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000595778962 858685017 /nfs/dbraw/zinc/68/50/17/858685017.db2.gz WQEFGEHBQHSUID-DLBZAZTESA-N 0 3 375.469 3.558 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593129544 858730901 /nfs/dbraw/zinc/73/09/01/858730901.db2.gz XBUKNFFYZUETCD-PWSUYJOCSA-N 0 3 383.326 3.829 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593129541 858731046 /nfs/dbraw/zinc/73/10/46/858731046.db2.gz XBUKNFFYZUETCD-CMPLNLGQSA-N 0 3 383.326 3.829 20 5 GHBDHN COc1cc(C[NH2+]CCCOc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1[O-] ZINC000509617274 858813514 /nfs/dbraw/zinc/81/35/14/858813514.db2.gz KMFCGPNBOAGTIF-UHFFFAOYSA-N 0 3 380.828 3.830 20 5 GHBDHN COc1cc(NCC2CCN(Cc3ccncc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596437465 858897493 /nfs/dbraw/zinc/89/74/93/858897493.db2.gz VFZZBSBQKXVFSN-UHFFFAOYSA-N 0 3 390.871 3.976 20 5 GHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN(C2CCCCC2)CC1 ZINC000483028267 859086923 /nfs/dbraw/zinc/08/69/23/859086923.db2.gz YSHWENFFTURMEK-UHFFFAOYSA-N 0 3 398.410 3.678 20 5 GHBDHN CC(C)[C@@H](O)[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000597223805 859374731 /nfs/dbraw/zinc/37/47/31/859374731.db2.gz ZZKLKLLXIHDWIW-FGZHOGPDSA-N 0 3 394.475 3.843 20 5 GHBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000060669733 859804464 /nfs/dbraw/zinc/80/44/64/859804464.db2.gz ODIIJEUXNCSJPV-KRWDZBQOSA-N 0 3 396.491 3.811 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000484513047 860064291 /nfs/dbraw/zinc/06/42/91/860064291.db2.gz IHDUFJIGTXCCFW-AUUYWEPGSA-N 0 3 386.452 3.806 20 5 GHBDHN CC(C)(C)C(=O)N1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602513862 860085061 /nfs/dbraw/zinc/08/50/61/860085061.db2.gz FNPVSODZPPCOKV-UHFFFAOYSA-N 0 3 387.402 3.740 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCOCC1CCOCC1 ZINC000602553183 860105957 /nfs/dbraw/zinc/10/59/57/860105957.db2.gz AUKQGGVRFRPMCR-UHFFFAOYSA-N 0 3 376.375 3.537 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)o1 ZINC000093134123 860216898 /nfs/dbraw/zinc/21/68/98/860216898.db2.gz YREDPUITPORNSQ-HNNXBMFYSA-N 0 3 393.447 3.772 20 5 GHBDHN CC(C)C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N(C)C ZINC000444010009 863144557 /nfs/dbraw/zinc/14/45/57/863144557.db2.gz LKRVBKLOYXMSHA-AWEZNQCLSA-N 0 3 383.467 3.527 20 5 GHBDHN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](N2CCCC2)C1 ZINC000444011955 863148557 /nfs/dbraw/zinc/14/85/57/863148557.db2.gz TWDHMZAXPPLHHE-OAHLLOKOSA-N 0 3 393.462 3.521 20 5 GHBDHN CN(CC[C@@H]1CCCCN1C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444082213 863336702 /nfs/dbraw/zinc/33/67/02/863336702.db2.gz NGSLNMAZABKOAS-HNNXBMFYSA-N 0 3 395.478 3.767 20 5 GHBDHN Cc1c(Cl)cccc1N1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792881695 881771144 /nfs/dbraw/zinc/77/11/44/881771144.db2.gz ANNBUNGGQZRJMQ-HXUWFJFHSA-N 0 3 389.883 3.802 20 5 GHBDHN Cc1cc(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000554913067 865156160 /nfs/dbraw/zinc/15/61/60/865156160.db2.gz FRJJJLMEDDCWKG-MRXNPFEDSA-N 0 3 376.844 3.981 20 5 GHBDHN CCN1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000555125614 865567887 /nfs/dbraw/zinc/56/78/87/865567887.db2.gz NIJCTIZBQATMBA-QFBILLFUSA-N 0 3 379.382 3.937 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000608977615 865873988 /nfs/dbraw/zinc/87/39/88/865873988.db2.gz WGTCCYYHURVAQK-LJQANCHMSA-N 0 3 384.432 3.972 20 5 GHBDHN C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485026 866933259 /nfs/dbraw/zinc/93/32/59/866933259.db2.gz HLIQVSYAIUBEIS-TZMCWYRMSA-N 0 3 378.379 3.839 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOc3ccc4ccccc4c3)C2)nc1 ZINC000440504350 867023875 /nfs/dbraw/zinc/02/38/75/867023875.db2.gz MCILXABDVMIGTJ-GOSISDBHSA-N 0 3 378.432 3.708 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475700888 882082741 /nfs/dbraw/zinc/08/27/41/882082741.db2.gz XPCNFGFLAMMZHG-QFBILLFUSA-N 0 3 398.459 3.772 20 5 GHBDHN C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)CN1Cc1ccccc1 ZINC000553449809 867438386 /nfs/dbraw/zinc/43/83/86/867438386.db2.gz ZVYVFYATFZHRDY-KBPBESRZSA-N 0 3 383.477 3.699 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000444908443 867439611 /nfs/dbraw/zinc/43/96/11/867439611.db2.gz RBFAHOWRBZVAAS-UHFFFAOYSA-N 0 3 398.463 3.562 20 5 GHBDHN CCO[C@@H]1C[C@H](NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000553463969 867496486 /nfs/dbraw/zinc/49/64/86/867496486.db2.gz ZHQRNDVPUPVFNH-JKSUJKDBSA-N 0 3 386.395 3.642 20 5 GHBDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)c(Cl)c1 ZINC000534869630 867633172 /nfs/dbraw/zinc/63/31/72/867633172.db2.gz TYAKGEYAZZBPAK-UHFFFAOYSA-N 0 3 384.263 3.974 20 5 GHBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000152827602 869245900 /nfs/dbraw/zinc/24/59/00/869245900.db2.gz WDOVNYZVIKPXRS-CQSZACIVSA-N 0 3 389.427 3.522 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000539599967 869408496 /nfs/dbraw/zinc/40/84/96/869408496.db2.gz NKTIPUYQMVXELS-CQSZACIVSA-N 0 3 381.354 3.862 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000446183136 869513180 /nfs/dbraw/zinc/51/31/80/869513180.db2.gz OVWDOOBRYLNUOT-RHSMWYFYSA-N 0 3 387.867 3.949 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000462628017 869788475 /nfs/dbraw/zinc/78/84/75/869788475.db2.gz PZVOQFARIDKOOH-YLJYHZDGSA-N 0 3 383.492 3.800 20 5 GHBDHN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746358071 870540035 /nfs/dbraw/zinc/54/00/35/870540035.db2.gz YSERYCNQOLTTLX-YXAHYSCSSA-N 0 3 379.460 3.731 20 5 GHBDHN Cc1c([C@H](C)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000540190571 870686205 /nfs/dbraw/zinc/68/62/05/870686205.db2.gz TWOFUVIBZBAAPZ-RWCSOYMTSA-N 0 3 379.460 3.711 20 5 GHBDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617742717 870820886 /nfs/dbraw/zinc/82/08/86/870820886.db2.gz UKNCVQAFFLRNFH-ROUUACIJSA-N 0 3 381.476 3.821 20 5 GHBDHN Cc1c([C@H](C)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000539046565 871221069 /nfs/dbraw/zinc/22/10/69/871221069.db2.gz JBOSMCVNCXSAGH-LCIZUOBNSA-N 0 3 389.402 3.804 20 5 GHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000540592054 871649068 /nfs/dbraw/zinc/64/90/68/871649068.db2.gz NODLCCWIZMBBCB-JLTOFOAXSA-N 0 3 383.448 3.980 20 5 GHBDHN CC1(C)CN(CCNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000540609134 871704625 /nfs/dbraw/zinc/70/46/25/871704625.db2.gz BWYPLBMCYLJFHF-UHFFFAOYSA-N 0 3 393.871 3.709 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000462156644 871709249 /nfs/dbraw/zinc/70/92/49/871709249.db2.gz DHUSXKYDNKLTBD-OXJNMPFZSA-N 0 3 381.476 3.509 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462192344 871822117 /nfs/dbraw/zinc/82/21/17/871822117.db2.gz BLAOUEICJPJMHQ-GQIGUUNPSA-N 0 3 399.516 3.712 20 5 GHBDHN Cn1c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc2cccc(Cl)c21 ZINC000447594424 871904305 /nfs/dbraw/zinc/90/43/05/871904305.db2.gz YTPMQLWGFXZHNT-UKRRQHHQSA-N 0 3 388.859 3.605 20 5 GHBDHN COCC1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000552312133 872399065 /nfs/dbraw/zinc/39/90/65/872399065.db2.gz SHCHCJZGEDWNSW-UHFFFAOYSA-N 0 3 390.411 3.811 20 5 GHBDHN O=[N+]([O-])c1ccc(CCN[C@@H](CCO)c2ccccc2Br)cc1 ZINC000541024492 872742481 /nfs/dbraw/zinc/74/24/81/872742481.db2.gz OOLGSOUHHRRHAS-KRWDZBQOSA-N 0 3 379.254 3.613 20 5 GHBDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000541105344 872944330 /nfs/dbraw/zinc/94/43/30/872944330.db2.gz XFMWGDOSPOCDPV-UHFFFAOYSA-N 0 3 386.452 3.508 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000464092520 873225949 /nfs/dbraw/zinc/22/59/49/873225949.db2.gz LNVOJTVEZHHKAT-CVEARBPZSA-N 0 3 388.411 3.887 20 5 GHBDHN COc1cc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000464092521 873226399 /nfs/dbraw/zinc/22/63/99/873226399.db2.gz LNVOJTVEZHHKAT-HOTGVXAUSA-N 0 3 388.411 3.887 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3N3CCCCC3)C2)nc1 ZINC000769461875 874086202 /nfs/dbraw/zinc/08/62/02/874086202.db2.gz AFYFJNXUFDRDEF-SFHVURJKSA-N 0 3 381.480 3.667 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccco1 ZINC000557485879 874232181 /nfs/dbraw/zinc/23/21/81/874232181.db2.gz DKYZHUFOIYMNOI-OCCSQVGLSA-N 0 3 377.466 3.769 20 5 GHBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000804396810 882810881 /nfs/dbraw/zinc/81/08/81/882810881.db2.gz JLCIIGNQDDDPBF-CYBMUJFWSA-N 0 3 376.438 3.889 20 5 GHBDHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105464815 875300006 /nfs/dbraw/zinc/30/00/06/875300006.db2.gz JUJWDPIURPYYIP-INIZCTEOSA-N 0 3 386.471 3.727 20 5 GHBDHN CC(C)(C)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000053617943 876613345 /nfs/dbraw/zinc/61/33/45/876613345.db2.gz QQZFHWPLPUTVHU-IBGZPJMESA-N 0 3 385.420 3.639 20 5 GHBDHN O=C(N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1)C(F)(F)F ZINC000850443808 876927235 /nfs/dbraw/zinc/92/72/35/876927235.db2.gz UTUUVIFPERZNLU-QGZVFWFLSA-N 0 3 393.365 3.720 20 5 GHBDHN Cc1nn(CN2CCC(c3ncc4n3CCCC4)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000788382609 878047193 /nfs/dbraw/zinc/04/71/93/878047193.db2.gz OPNFQGFENVFZSU-UHFFFAOYSA-N 0 3 394.479 3.623 20 5 GHBDHN COC(=O)COc1ccc(CN(C)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000530553123 878048397 /nfs/dbraw/zinc/04/83/97/878048397.db2.gz OGDWZVZOZMIHFT-GOSISDBHSA-N 0 3 384.432 3.656 20 5 GHBDHN CCOc1ccc([C@H](C)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000537953268 878578528 /nfs/dbraw/zinc/57/85/28/878578528.db2.gz MNGPEJQRMLBAIV-LBPRGKRZSA-N 0 3 385.399 3.769 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790169343 879505271 /nfs/dbraw/zinc/50/52/71/879505271.db2.gz MNRMHATXRLHQOA-PKOBYXMFSA-N 0 3 383.423 3.799 20 5 GHBDHN COc1cc(CN[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493603956 879543079 /nfs/dbraw/zinc/54/30/79/879543079.db2.gz UNUDAWPPVUQMQS-LLVKDONJSA-N 0 3 380.338 3.915 20 5 GHBDHN CO[C@]1(CNCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000461423299 879781454 /nfs/dbraw/zinc/78/14/54/879781454.db2.gz UAQZTVYIZITPRP-FQEVSTJZSA-N 0 3 388.489 3.950 20 5 GHBDHN CSc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000494005566 879809793 /nfs/dbraw/zinc/80/97/93/879809793.db2.gz ANGZYNVJPGAYDV-PBHICJAKSA-N 0 3 385.489 3.710 20 5 GHBDHN CSc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000494005567 879810442 /nfs/dbraw/zinc/81/04/42/879810442.db2.gz ANGZYNVJPGAYDV-RHSMWYFYSA-N 0 3 385.489 3.710 20 5 GHBDHN CCOc1ccc([C@@H](C)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453289582 880730321 /nfs/dbraw/zinc/73/03/21/880730321.db2.gz TYNDQIDKBNPHBX-CABCVRRESA-N 0 3 377.485 3.668 20 5 GHBDHN N=C(N)N(c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c2ccccc21 ZINC001170167521 881153171 /nfs/dbraw/zinc/15/31/71/881153171.db2.gz LNJQCBSXQOPGIP-UHFFFAOYSA-N 0 3 391.431 3.616 20 5 GHBDHN COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000792526090 881155839 /nfs/dbraw/zinc/15/58/39/881155839.db2.gz YBLMWQPJTTYJNX-MJGOQNOKSA-N 0 3 395.459 3.668 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000499111425 881159756 /nfs/dbraw/zinc/15/97/56/881159756.db2.gz ODQZEMSGLDAALG-QGZVFWFLSA-N 0 3 376.501 3.872 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1C ZINC000897612982 884126889 /nfs/dbraw/zinc/12/68/89/884126889.db2.gz JPXOVSWZVZXNQS-UHFFFAOYSA-N 0 3 399.413 3.747 20 5 GHBDHN O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(CN2CCCC2)c1 ZINC000805896207 884182109 /nfs/dbraw/zinc/18/21/09/884182109.db2.gz CLSUOSKBTJWBKK-RTBURBONSA-N 0 3 398.463 3.728 20 5 GHBDHN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1C ZINC000498483195 884558844 /nfs/dbraw/zinc/55/88/44/884558844.db2.gz XJVBRDGFYRBFQO-UONOGXRCSA-N 0 3 388.493 3.711 20 5 GHBDHN Cc1nc2n(n1)C[C@@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000237712344 884805233 /nfs/dbraw/zinc/80/52/33/884805233.db2.gz ABJXRBWQGDSEQG-LBPRGKRZSA-N 0 3 387.827 3.513 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1-c1cnccn1 ZINC000860854970 885055523 /nfs/dbraw/zinc/05/55/23/885055523.db2.gz NUELUIWLKIQMBV-KUHUBIRLSA-N 0 3 398.394 3.587 20 5 GHBDHN COc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000026256712 886242446 /nfs/dbraw/zinc/24/24/46/886242446.db2.gz BDEWBPZOAWWKGC-UHFFFAOYSA-N 0 3 375.400 3.512 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H](c1ccccc1)N(C)C ZINC000508883059 887091379 /nfs/dbraw/zinc/09/13/79/887091379.db2.gz SUJUATMBXDUCTL-IIBYNOLFSA-N 0 3 396.491 3.960 20 5 GHBDHN Cc1ccc([C@@H]2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c(C)c1 ZINC000794657216 887733653 /nfs/dbraw/zinc/73/36/53/887733653.db2.gz UHTYMIDOAQZWAN-GOSISDBHSA-N 0 3 377.448 3.917 20 5 GHBDHN C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000194457936 888338662 /nfs/dbraw/zinc/33/86/62/888338662.db2.gz IDWQSIFUEGSRIO-OXJNMPFZSA-N 0 3 382.464 3.792 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnn(CN3CCCN4c5ccccc5C[C@H]4C3)c2)c1 ZINC000811784138 889997898 /nfs/dbraw/zinc/99/78/98/889997898.db2.gz ORARGHPVCASHAJ-NRFANRHFSA-N 0 3 389.459 3.553 20 5 GHBDHN C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000455089417 890314841 /nfs/dbraw/zinc/31/48/41/890314841.db2.gz DMPTWMOAJRFAJN-KRWDZBQOSA-N 0 3 382.464 3.573 20 5 GHBDHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001133257623 890560950 /nfs/dbraw/zinc/56/09/50/890560950.db2.gz TYMFRVSIMKBGHW-KRWDZBQOSA-N 0 3 385.439 3.861 20 5 GHBDHN CC(COC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1)[N+](=O)[O-] ZINC000813100229 891272483 /nfs/dbraw/zinc/27/24/83/891272483.db2.gz PJFCSPFGNHSAPP-BLLLJJGKSA-N 0 3 394.221 3.778 20 5 GHBDHN CC(COC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)[N+](=O)[O-] ZINC000813115303 891306977 /nfs/dbraw/zinc/30/69/77/891306977.db2.gz OTXHPWQZKYCUQG-LRDDRELGSA-N 0 3 394.221 3.778 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000007684780 893933699 /nfs/dbraw/zinc/93/36/99/893933699.db2.gz ZGQDZOISORKZPZ-GOSISDBHSA-N 0 3 375.856 3.843 20 5 GHBDHN CCCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000878125346 894036822 /nfs/dbraw/zinc/03/68/22/894036822.db2.gz LATDTRMYXGGIFD-BMGDILEWSA-N 0 3 386.452 3.670 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000537132281 894381981 /nfs/dbraw/zinc/38/19/81/894381981.db2.gz WXOWEAQTLVJRQN-MRXNPFEDSA-N 0 3 392.402 3.672 20 5 GHBDHN Cc1cc([C@@H](NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)ccc1F ZINC000537224046 894596832 /nfs/dbraw/zinc/59/68/32/894596832.db2.gz JOQXZTJWRPXDOI-NRFANRHFSA-N 0 3 383.423 3.672 20 5 GHBDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000564712501 895203195 /nfs/dbraw/zinc/20/31/95/895203195.db2.gz OMKJTDPDFDAHLS-HNNXBMFYSA-N 0 3 389.883 3.942 20 5 GHBDHN Cc1c(NC(=O)CCN[C@H](C)c2ccc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000880099082 895512883 /nfs/dbraw/zinc/51/28/83/895512883.db2.gz FPWIIBFPUMBEMQ-GFCCVEGCSA-N 0 3 396.369 3.996 20 5 GHBDHN C[C@@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000565307922 895521561 /nfs/dbraw/zinc/52/15/61/895521561.db2.gz OZJMKYQNKVYJHQ-QVKFZJNVSA-N 0 3 385.439 3.618 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc2ccccc2c1 ZINC000565849213 895928932 /nfs/dbraw/zinc/92/89/32/895928932.db2.gz UWVIXACDBHGRPC-HXUWFJFHSA-N 0 3 380.444 3.662 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000819186255 896455668 /nfs/dbraw/zinc/45/56/68/896455668.db2.gz XHFPBYIGHCYVED-FXAWDEMLSA-N 0 3 394.475 3.540 20 5 GHBDHN COc1cc(CNCCc2cccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131308512 897402070 /nfs/dbraw/zinc/40/20/70/897402070.db2.gz NKYNPUJGRBOECB-UHFFFAOYSA-N 0 3 390.383 3.938 20 5 GHBDHN CCOc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000106244075 898262961 /nfs/dbraw/zinc/26/29/61/898262961.db2.gz XLARCKSDDMFOHH-UHFFFAOYSA-N 0 3 384.411 3.823 20 5 GHBDHN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000822426429 898362912 /nfs/dbraw/zinc/36/29/12/898362912.db2.gz ITAYMUHOYYRRPQ-QFBILLFUSA-N 0 3 385.851 3.595 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC4(CCC4)[C@H]3[C@@H]3CCCO3)o2)c1 ZINC000289624916 914268944 /nfs/dbraw/zinc/26/89/44/914268944.db2.gz RPCYXOVKLWUCSJ-FXAWDEMLSA-N 0 3 383.448 3.826 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C/CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000569829794 898973836 /nfs/dbraw/zinc/97/38/36/898973836.db2.gz OAKNKECKKUVMMC-HWKANZROSA-N 0 3 375.432 3.853 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1ncccc1C)C(C)C ZINC000118839884 899481573 /nfs/dbraw/zinc/48/15/73/899481573.db2.gz GEEPMLNNFDKSAJ-IBGZPJMESA-N 0 3 386.452 3.622 20 5 GHBDHN CC([C@@H](OC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845873203 902475178 /nfs/dbraw/zinc/47/51/78/902475178.db2.gz RZZUVZNUVDKWFO-ORAYPTAESA-N 0 3 399.378 3.758 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845876702 902481032 /nfs/dbraw/zinc/48/10/32/902481032.db2.gz OAHJGOKIVMYRFT-DVOMOZLQSA-N 0 3 398.431 3.578 20 5 GHBDHN COc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)c1OC ZINC000845878603 902482515 /nfs/dbraw/zinc/48/25/15/902482515.db2.gz HLSMQXNNNWAPKC-KZULUSFZSA-N 0 3 377.368 3.715 20 5 GHBDHN CC([C@H](OC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1F)[N+](=O)[O-] ZINC000845881152 902485307 /nfs/dbraw/zinc/48/53/07/902485307.db2.gz YJPZNPIKSXJCGP-GTNSWQLSSA-N 0 3 386.379 3.619 20 5 GHBDHN CC([C@@H](OC(=O)c1csc(C(F)(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845884333 902488025 /nfs/dbraw/zinc/48/80/25/902488025.db2.gz XRPYGDXCDHHULR-RDDDGLTNSA-N 0 3 378.303 3.864 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000801586553 921166837 /nfs/dbraw/zinc/16/68/37/921166837.db2.gz ACMYURMKUDUERL-INIZCTEOSA-N 0 3 381.448 3.859 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cc(OC(C)C)ccn2)c1F ZINC001173177942 906255543 /nfs/dbraw/zinc/25/55/43/906255543.db2.gz FVLPSMLCGUSJSR-CYBMUJFWSA-N 0 3 377.416 3.646 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](CO)c2cccc(Cl)c2)c1F ZINC001173185641 906265777 /nfs/dbraw/zinc/26/57/77/906265777.db2.gz BRYSMJRCVSCZCS-NHYWBVRUSA-N 0 3 382.819 3.650 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001173223115 906303294 /nfs/dbraw/zinc/30/32/94/906303294.db2.gz YARIGJFMEXVNAU-CVEARBPZSA-N 0 3 377.485 3.857 20 5 GHBDHN CCOc1ccc([C@@H](C)NCc2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000179399704 906492755 /nfs/dbraw/zinc/49/27/55/906492755.db2.gz RXIGLFBWYQHJMP-MRXNPFEDSA-N 0 3 397.475 3.967 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192357473 907605852 /nfs/dbraw/zinc/60/58/52/907605852.db2.gz UPLMSSKBTLDKMH-IBGZPJMESA-N 0 3 389.883 3.629 20 5 GHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195718814 909036178 /nfs/dbraw/zinc/03/61/78/909036178.db2.gz JARHQXCAYFGGFV-ROUUACIJSA-N 0 3 397.258 3.871 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001179682059 909668749 /nfs/dbraw/zinc/66/87/49/909668749.db2.gz WTQWOEFWRHWZPC-KRWDZBQOSA-N 0 3 377.485 3.947 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284812741 912039654 /nfs/dbraw/zinc/03/96/54/912039654.db2.gz PHSVQVJZKLKZIL-IRXDYDNUSA-N 0 3 392.253 3.527 20 5 GHBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303818838 915157078 /nfs/dbraw/zinc/15/70/78/915157078.db2.gz JREBVTJWMZDNQL-MSOLQXFVSA-N 0 3 378.469 3.877 20 5 GHBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294685257 916933052 /nfs/dbraw/zinc/93/30/52/916933052.db2.gz SVPOEUGPORCCHU-RDJZCZTQSA-N 0 3 398.385 3.584 20 5 GHBDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685132 923542676 /nfs/dbraw/zinc/54/26/76/923542676.db2.gz ZTXQZWIWUHNXKA-UHFFFAOYSA-N 0 3 398.442 3.570 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000010139252 923867686 /nfs/dbraw/zinc/86/76/86/923867686.db2.gz OHOCFCHEHOFOQS-SFHVURJKSA-N 0 3 387.505 3.912 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2csc(NC3CCN(C[C@@H]4CCCO4)CC3)n2)cc1 ZINC000827389002 925406022 /nfs/dbraw/zinc/40/60/22/925406022.db2.gz CRYJROIRGGTHQW-KRWDZBQOSA-N 0 3 388.493 3.774 20 5 GHBDHN CCCN(Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000725782758 926437166 /nfs/dbraw/zinc/43/71/66/926437166.db2.gz NNYSYLGVHBYXEJ-HXUWFJFHSA-N 0 3 385.512 3.742 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(-n3cncn3)nc2)s1 ZINC000726606898 926760968 /nfs/dbraw/zinc/76/09/68/926760968.db2.gz HAUGJKUTBJBTLR-UHFFFAOYSA-N 0 3 392.444 3.589 20 5 GHBDHN Cc1ccc(Cl)c(OC[C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000544429071 929169996 /nfs/dbraw/zinc/16/99/96/929169996.db2.gz HKCKVUZRQTTXML-ZBFHGGJFSA-N 0 3 378.856 3.956 20 5 GHBDHN CC(C)(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000547285881 930882058 /nfs/dbraw/zinc/88/20/58/930882058.db2.gz BDOCQEGULYKMTK-FQEVSTJZSA-N 0 3 399.466 3.965 20 5 GHBDHN Cc1ccc([C@H]2C[C@@H](C)N(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000782954717 931374501 /nfs/dbraw/zinc/37/45/01/931374501.db2.gz NTXOHGKCDGGMTQ-APWZRJJASA-N 0 3 377.448 3.997 20 5 GHBDHN CC(C)(C)OC(=O)N1CC=C(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783680888 931616284 /nfs/dbraw/zinc/61/62/84/931616284.db2.gz XRDLILFJTBHIIL-UHFFFAOYSA-N 0 3 381.860 3.905 20 5 GHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000557989779 931789991 /nfs/dbraw/zinc/78/99/91/931789991.db2.gz PKAJMBJENKTBFR-HXUWFJFHSA-N 0 3 384.480 3.529 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000558734530 932200702 /nfs/dbraw/zinc/20/07/02/932200702.db2.gz JSDXSTIJKRJRRE-OAQYLSRUSA-N 0 3 380.444 3.662 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000797518484 932318297 /nfs/dbraw/zinc/31/82/97/932318297.db2.gz GOEFMCXCWOHHEQ-IBGZPJMESA-N 0 3 381.473 3.632 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000561261855 934000136 /nfs/dbraw/zinc/00/01/36/934000136.db2.gz HUIULRRRBCHECO-UHFFFAOYSA-N 0 3 396.491 3.995 20 5 GHBDHN CC(C)(NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000561706007 934381739 /nfs/dbraw/zinc/38/17/39/934381739.db2.gz AUZFLTJOVXPUGL-QGZVFWFLSA-N 0 3 399.466 3.997 20 5 GHBDHN COc1cccc([C@H]2[C@H](Nc3nc4ccccn4c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000778010252 934621025 /nfs/dbraw/zinc/62/10/25/934621025.db2.gz PFROZBNQJDPOGX-MJGOQNOKSA-N 0 3 393.447 3.641 20 5 GHBDHN CC1(C)C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575639442 950870024 /nfs/dbraw/zinc/87/00/24/950870024.db2.gz BOAZXZBGFABPQZ-KRWDZBQOSA-N 0 3 378.436 3.543 20 5 GHBDHN CC1(C)C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575639442 950870035 /nfs/dbraw/zinc/87/00/35/950870035.db2.gz BOAZXZBGFABPQZ-KRWDZBQOSA-N 0 3 378.436 3.543 20 5 GHBDHN CC1(C)C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575639442 950870045 /nfs/dbraw/zinc/87/00/45/950870045.db2.gz BOAZXZBGFABPQZ-KRWDZBQOSA-N 0 3 378.436 3.543 20 5 GHBDHN CC1(C)C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575639442 950870056 /nfs/dbraw/zinc/87/00/56/950870056.db2.gz BOAZXZBGFABPQZ-KRWDZBQOSA-N 0 3 378.436 3.543 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](Nc4ncccn4)C3)s2)cc1 ZINC000520408404 1014560753 /nfs/dbraw/zinc/56/07/53/1014560753.db2.gz LCKUYQHYLATNET-OAHLLOKOSA-N 0 3 381.461 3.800 20 5 GHBDHN CC[C@@H](Cc1ccccc1)N(CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000468944595 1016256142 /nfs/dbraw/zinc/25/61/42/1016256142.db2.gz LDDXEQLCIRRDPR-INIZCTEOSA-N 0 3 399.447 3.605 20 5 GHBDHN CSc1ccccc1CN(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470991622 1016934867 /nfs/dbraw/zinc/93/48/67/1016934867.db2.gz FLCXMBDYQAMUBT-UHFFFAOYSA-N 0 3 387.461 3.747 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000557247284 1016980961 /nfs/dbraw/zinc/98/09/61/1016980961.db2.gz NXDBLAVJWQWIBS-HNNXBMFYSA-N 0 3 376.254 3.726 20 5 GHBDHN Cc1ccc(CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001226902130 1032185320 /nfs/dbraw/zinc/18/53/20/1032185320.db2.gz OQCNRXUXZIKVEZ-HXUWFJFHSA-N 0 3 398.507 3.859 20 5 GHBDHN COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001227122644 1032278646 /nfs/dbraw/zinc/27/86/46/1032278646.db2.gz SECIYHXWYPPJQM-KXBFYZLASA-N 0 3 384.432 3.671 20 5 GHBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000561720458 1017930461 /nfs/dbraw/zinc/93/04/61/1017930461.db2.gz PWLWEZKMZRNUSO-FQEVSTJZSA-N 0 3 387.455 3.965 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000564132838 1019014784 /nfs/dbraw/zinc/01/47/84/1019014784.db2.gz KXJUXDHPQXAJLQ-UHFFFAOYSA-N 0 3 388.443 3.892 20 5 GHBDHN O=C(Cc1ccccc1)N1CCC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000802658314 1021516052 /nfs/dbraw/zinc/51/60/52/1021516052.db2.gz UGPDKXRSMDFHOW-KRWDZBQOSA-N 0 3 387.867 3.572 20 5 GHBDHN CCCN(C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001140390197 1021548244 /nfs/dbraw/zinc/54/82/44/1021548244.db2.gz GKTUXXANXVCDJO-GOSISDBHSA-N 0 3 390.871 3.643 20 5 GHBDHN CN(C)Cc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754982370 1022998189 /nfs/dbraw/zinc/99/81/89/1022998189.db2.gz UNZSXEFUAQEYCU-UHFFFAOYSA-N 0 3 396.216 3.810 20 5 GHBDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000755121591 1023082404 /nfs/dbraw/zinc/08/24/04/1023082404.db2.gz QPVIPFBCKQSSSX-UFYHVXEKSA-N 0 3 389.839 3.730 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000755494081 1023271498 /nfs/dbraw/zinc/27/14/98/1023271498.db2.gz NLORVSZZDJOXLT-OKBDBCGNSA-N 0 3 379.460 3.777 20 5 GHBDHN CC(C)(C)OC(=O)c1ccc(N[C@H]2CNCc3ccsc32)cc1[N+](=O)[O-] ZINC001163229876 1026097025 /nfs/dbraw/zinc/09/70/25/1026097025.db2.gz RRVSRNVGPZSOLG-AWEZNQCLSA-N 0 3 375.450 3.868 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CNCc3ccsc32)nc1OCc1ccccc1 ZINC001163227165 1026097501 /nfs/dbraw/zinc/09/75/01/1026097501.db2.gz QXRQMBTWPKWATP-HNNXBMFYSA-N 0 3 382.445 3.887 20 5 GHBDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000839628822 1026134618 /nfs/dbraw/zinc/13/46/18/1026134618.db2.gz HMTXIJGGGLCPCB-WBVHZDCISA-N 0 3 377.238 3.759 20 5 GHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC001141777928 1027232467 /nfs/dbraw/zinc/23/24/67/1027232467.db2.gz WYLLETAOEZZGRQ-OAQYLSRUSA-N 0 3 383.492 3.755 20 5 GHBDHN CC(C)(CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(O)CCOCC1 ZINC000841890282 1028989650 /nfs/dbraw/zinc/98/96/50/1028989650.db2.gz MBKSVKBHMYFLLQ-UHFFFAOYSA-N 0 3 377.268 3.559 20 5 GHBDHN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(C[C@@H]4CSCCN4)n3)cc2)c1 ZINC000843211170 1029854681 /nfs/dbraw/zinc/85/46/81/1029854681.db2.gz NXEPCQOZMGIJDT-CQSZACIVSA-N 0 3 398.444 3.685 20 5 GHBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230494 1033956558 /nfs/dbraw/zinc/95/65/58/1033956558.db2.gz STHUENTYXZBYML-KRWDZBQOSA-N 0 3 381.436 3.546 20 5 GHBDHN C[C@@H](N)c1ccn(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)n1 ZINC001158355935 1034039735 /nfs/dbraw/zinc/03/97/35/1034039735.db2.gz IMBUVWXQEUKRLA-SECBINFHSA-N 0 3 394.769 3.519 20 5 GHBDHN O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001230601863 1034142605 /nfs/dbraw/zinc/14/26/05/1034142605.db2.gz ROYAHNKDUWRGRX-JIPZTSHUSA-N 0 3 378.432 3.761 20 5 GHBDHN CN(CC(=O)N1CCOCC1)Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001231827756 1034932020 /nfs/dbraw/zinc/93/20/20/1034932020.db2.gz SMEVFESOHDTXKY-UHFFFAOYSA-N 0 3 382.891 3.937 20 5 GHBDHN O=[N+]([O-])c1cccc2c1ccnc2OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001234676164 1040207837 /nfs/dbraw/zinc/20/78/37/1040207837.db2.gz JSEGVJATZYRCMY-GOSISDBHSA-N 0 3 393.443 3.813 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@]12CCCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595127 1040367871 /nfs/dbraw/zinc/36/78/71/1040367871.db2.gz VLLXRXNSGMXCAZ-RXVVDRJESA-N 0 3 387.480 3.537 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@@H]4CN5CCC4CC5)no3)cs2)cc1 ZINC001254850212 1040594917 /nfs/dbraw/zinc/59/49/17/1040594917.db2.gz KJJQAHYERZIUIG-CQSZACIVSA-N 0 3 383.433 3.578 20 5 GHBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CCCCN1Cc1ccccc1 ZINC001287925342 1048948360 /nfs/dbraw/zinc/94/83/60/1048948360.db2.gz DXWXITKMPOGSRM-HXUWFJFHSA-N 0 3 399.466 3.837 20 5 GHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001307502233 1049342902 /nfs/dbraw/zinc/34/29/02/1049342902.db2.gz UMTXCSRXWAHWFQ-QZTJIDSGSA-N 0 3 396.491 3.518 20 5 GHBDHN CCOC(=O)c1sc([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)nc1C ZINC001308043705 1049794053 /nfs/dbraw/zinc/79/40/53/1049794053.db2.gz REWDBNOGHVWWOM-OAHLLOKOSA-N 0 3 389.477 3.834 20 5 GHBDHN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001308121384 1049864797 /nfs/dbraw/zinc/86/47/97/1049864797.db2.gz LFOMSPHJVRLXLZ-HXUWFJFHSA-N 0 3 378.469 3.808 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H](CNCc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC001308215117 1049915781 /nfs/dbraw/zinc/91/57/81/1049915781.db2.gz BJXMCHAGLOMGAK-GFCCVEGCSA-N 0 3 377.363 3.530 20 5 GHBDHN COc1cc(CNCCSC(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001308400206 1049967281 /nfs/dbraw/zinc/96/72/81/1049967281.db2.gz XRNHHCNLTPEELI-UHFFFAOYSA-N 0 3 382.404 3.776 20 5 GHBDHN COc1cc(C[NH2+]C[C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1[O-] ZINC001308536152 1050001818 /nfs/dbraw/zinc/00/18/18/1050001818.db2.gz WWQVJRKUJJGRIZ-NSHDSACASA-N 0 3 395.253 3.965 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@@H](C(C)(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001308802357 1050100094 /nfs/dbraw/zinc/10/00/94/1050100094.db2.gz LNEOFPZZFOKBLI-GOEBONIOSA-N 0 3 378.469 3.793 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001310849117 1051650031 /nfs/dbraw/zinc/65/00/31/1051650031.db2.gz PEIFVYOXQADQEQ-KXBFYZLASA-N 0 3 382.464 3.942 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4[C@H]3CCCN4C)c([N+](=O)[O-])c2)cc1 ZINC001472867989 1056975402 /nfs/dbraw/zinc/97/54/02/1056975402.db2.gz WHCWFFOCRDWBBH-RTBURBONSA-N 0 3 394.475 3.828 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CC[C@H]4[C@@H]3CCCN4C)c([N+](=O)[O-])c2)cc1 ZINC001472867987 1056975466 /nfs/dbraw/zinc/97/54/66/1056975466.db2.gz WHCWFFOCRDWBBH-OALUTQOASA-N 0 3 394.475 3.828 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001442264778 1058941799 /nfs/dbraw/zinc/94/17/99/1058941799.db2.gz ZIBBKXHDVFXVEV-UHFFFAOYSA-N 0 3 379.526 3.901 20 5 GHBDHN CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001445929056 1059657778 /nfs/dbraw/zinc/65/77/78/1059657778.db2.gz NNRUFSVLBJSEGB-KRWDZBQOSA-N 0 3 387.867 3.524 20 5 GHBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H](CN1CCCC1)c1ccccc1 ZINC001458062555 1063539031 /nfs/dbraw/zinc/53/90/31/1063539031.db2.gz NYPUAVMUWNCKPD-ZDUSSCGKSA-N 0 3 383.374 3.596 20 5 GHBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC001458256244 1063698466 /nfs/dbraw/zinc/69/84/66/1063698466.db2.gz SWQKQJJFRJNACJ-UHFFFAOYSA-N 0 3 391.903 3.875 20 5 GHBDHN CC[C@@H](c1ccccc1)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001459586185 1064135284 /nfs/dbraw/zinc/13/52/84/1064135284.db2.gz TYPHMHUXJNSGMB-FQEVSTJZSA-N 0 3 396.491 3.692 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466987999 1066430430 /nfs/dbraw/zinc/43/04/30/1066430430.db2.gz CGKAEGAZCXMSLZ-YJBOKZPZSA-N 0 3 398.463 3.778 20 5 GHBDHN CCN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001358470238 1067535808 /nfs/dbraw/zinc/53/58/08/1067535808.db2.gz HLMXGZIQDDCYNR-SFHVURJKSA-N 0 3 399.516 3.810 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H]3CN(c4ccccc4)CCO3)C2)cc1 ZINC001473486954 1073985456 /nfs/dbraw/zinc/98/54/56/1073985456.db2.gz VRVDDIKFHYSOMB-SIKLNZKXSA-N 0 3 381.476 3.680 20 5 GHBDHN COc1ccccc1C[C@@](C)(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560548725 1126212731 /nfs/dbraw/zinc/21/27/31/1126212731.db2.gz YXLGCZREXJRDFP-QFIPXVFZSA-N 0 3 396.443 3.947 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1ccsc1 ZINC000431554583 834872075 /nfs/dbraw/zinc/87/20/75/834872075.db2.gz CWMYTAREINDHTH-SFHVURJKSA-N 0 3 391.493 3.543 20 5 GHBDHN CCOc1cc(CN2CC[C@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000430206914 835099699 /nfs/dbraw/zinc/09/96/99/835099699.db2.gz PGUUXHSRHPIPNE-QGZVFWFLSA-N 0 3 388.468 3.562 20 5 GHBDHN C[C@H](CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[S@](C)=O ZINC000133741425 835477959 /nfs/dbraw/zinc/47/79/59/835477959.db2.gz DYBCZTXDCZNGGE-ZBSNKRKSSA-N 0 3 380.441 3.773 20 5 GHBDHN COc1ccccc1COC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000179759720 835968408 /nfs/dbraw/zinc/96/84/08/835968408.db2.gz IXCFJMCGMFIUPT-UHFFFAOYSA-N 0 3 386.448 3.663 20 5 GHBDHN O=C(CCN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411155004 836070696 /nfs/dbraw/zinc/07/06/96/836070696.db2.gz MFEJOBKGPUTBIP-KRWDZBQOSA-N 0 3 389.477 3.666 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCCOC3)o2)c(Br)c1 ZINC000236569005 836196670 /nfs/dbraw/zinc/19/66/70/836196670.db2.gz GXGLBCVNWKSDDI-LLVKDONJSA-N 0 3 381.226 3.886 20 5 GHBDHN CC(C)n1ncc2c1C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000365129839 836211077 /nfs/dbraw/zinc/21/10/77/836211077.db2.gz DKQFWFZZUHCVKB-AWEZNQCLSA-N 0 3 380.395 3.621 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000411655739 836269904 /nfs/dbraw/zinc/26/99/04/836269904.db2.gz MLLJYOAPHPJEQX-QGZVFWFLSA-N 0 3 377.828 3.554 20 5 GHBDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612485981 836298474 /nfs/dbraw/zinc/29/84/74/836298474.db2.gz OMZOHGAITDMFJO-IAGOWNOFSA-N 0 3 399.466 3.960 20 5 GHBDHN CCOc1cc(N2CCCN(Cc3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000471251853 836365650 /nfs/dbraw/zinc/36/56/50/836365650.db2.gz TUSYOAKLCNBYOZ-UHFFFAOYSA-N 0 3 385.464 3.714 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000102691187 838185536 /nfs/dbraw/zinc/18/55/36/838185536.db2.gz WKIMIFXOCXYJNR-OAQYLSRUSA-N 0 3 399.447 3.600 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000102691184 838185689 /nfs/dbraw/zinc/18/56/89/838185689.db2.gz YXWXWKZVASMIFD-NRFANRHFSA-N 0 3 399.447 3.600 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000122775638 838346873 /nfs/dbraw/zinc/34/68/73/838346873.db2.gz XHFQFIQSKDUFRE-INIZCTEOSA-N 0 3 398.463 3.732 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N(C)C)cc1 ZINC000188016587 838479347 /nfs/dbraw/zinc/47/93/47/838479347.db2.gz VUSJAOBBIDJYTO-KRWDZBQOSA-N 0 3 387.505 3.912 20 5 GHBDHN COc1cc(CN[C@@H]2CS[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414497014 838594658 /nfs/dbraw/zinc/59/46/58/838594658.db2.gz FDLKTDMBDQACGA-KOLCDFICSA-N 0 3 380.388 3.528 20 5 GHBDHN CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H]1C ZINC000548038401 838653042 /nfs/dbraw/zinc/65/30/42/838653042.db2.gz BRUUQMFKPLNGER-NVXWUHKLSA-N 0 3 377.488 3.626 20 5 GHBDHN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N(C)C1CC1 ZINC000275760753 838757199 /nfs/dbraw/zinc/75/71/99/838757199.db2.gz FOELSZCEYSPAEJ-LLVKDONJSA-N 0 3 385.414 3.584 20 5 GHBDHN C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000471533904 838790253 /nfs/dbraw/zinc/79/02/53/838790253.db2.gz YOMXLFWCZUZOHN-XOBRGWDASA-N 0 3 382.464 3.590 20 5 GHBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCN1C ZINC000275822230 839244558 /nfs/dbraw/zinc/24/45/58/839244558.db2.gz SJSOTFFGIRRAES-SWLSCSKDSA-N 0 3 399.441 3.927 20 5 GHBDHN CC(C)c1ccc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000190196196 839268065 /nfs/dbraw/zinc/26/80/65/839268065.db2.gz ZXFQOIYDICVNCL-UHFFFAOYSA-N 0 3 385.464 3.628 20 5 GHBDHN COc1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000580584263 839854905 /nfs/dbraw/zinc/85/49/05/839854905.db2.gz HVDHPXVISNEFKG-HNNXBMFYSA-N 0 3 392.843 3.681 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000601225154 839919027 /nfs/dbraw/zinc/91/90/27/839919027.db2.gz DCDMXVLVOIDSRE-SJCJKPOMSA-N 0 3 377.441 3.608 20 5 GHBDHN CC1(C)C[C@@H](NCCNC(=O)c2ccccc2Cl)c2cc([N+](=O)[O-])ccc21 ZINC000433112791 840031269 /nfs/dbraw/zinc/03/12/69/840031269.db2.gz AMHPPLAHHZJVOU-GOSISDBHSA-N 0 3 387.867 3.990 20 5 GHBDHN O=C(NCCN1CCCC1)c1ccc(NC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000561251540 840448364 /nfs/dbraw/zinc/44/83/64/840448364.db2.gz XIPRODMJNLRXNJ-ALCCZGGFSA-N 0 3 394.475 3.546 20 5 GHBDHN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(N2CCCC2)c1 ZINC000126403248 841044907 /nfs/dbraw/zinc/04/49/07/841044907.db2.gz ZRRCSJHDMGTIDH-IERDGZPVSA-N 0 3 394.475 3.651 20 5 GHBDHN Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000106877725 841128331 /nfs/dbraw/zinc/12/83/31/841128331.db2.gz ODQQKTRGWPQTIY-CYBMUJFWSA-N 0 3 376.482 3.998 20 5 GHBDHN CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000500123830 841479016 /nfs/dbraw/zinc/47/90/16/841479016.db2.gz MKDQSEAXDUXWAW-MRXNPFEDSA-N 0 3 398.463 3.663 20 5 GHBDHN O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCN1CC(F)(F)F ZINC000112100985 842189021 /nfs/dbraw/zinc/18/90/21/842189021.db2.gz CQZXELJAPPEVGH-CQSZACIVSA-N 0 3 399.394 3.576 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CN(Cc4ccccc4)CCCO3)ccc2c1 ZINC000302784969 861362799 /nfs/dbraw/zinc/36/27/99/861362799.db2.gz MGBWRZUVQPCIFV-FQEVSTJZSA-N 0 3 392.459 3.846 20 5 GHBDHN COc1cc(CN[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000584683330 843600611 /nfs/dbraw/zinc/60/06/11/843600611.db2.gz IRYVHMAQPLECLH-QFBILLFUSA-N 0 3 393.846 3.931 20 5 GHBDHN COc1cc(CNC[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000433201137 843825856 /nfs/dbraw/zinc/82/58/56/843825856.db2.gz UZYLSFRFQBUNFT-INIZCTEOSA-N 0 3 385.464 3.618 20 5 GHBDHN COc1cc(CN(C)CCOc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000065208706 844934022 /nfs/dbraw/zinc/93/40/22/844934022.db2.gz NSFGEOVHVZIPDD-UHFFFAOYSA-N 0 3 382.363 3.716 20 5 GHBDHN CN(C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000162256153 861541791 /nfs/dbraw/zinc/54/17/91/861541791.db2.gz XBTAIQWPBDFXMB-FQEVSTJZSA-N 0 3 382.464 3.572 20 5 GHBDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000093613712 845473141 /nfs/dbraw/zinc/47/31/41/845473141.db2.gz FOSMTPIDRIOAGC-UXHICEINSA-N 0 3 386.448 3.607 20 5 GHBDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000472044877 845565519 /nfs/dbraw/zinc/56/55/19/845565519.db2.gz PHDYOTITVVAARS-VQTJNVASSA-N 0 3 398.459 3.935 20 5 GHBDHN CC1(C)[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1OCc1ccccc1 ZINC000472044875 845566175 /nfs/dbraw/zinc/56/61/75/845566175.db2.gz PHDYOTITVVAARS-PMACEKPBSA-N 0 3 398.459 3.935 20 5 GHBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548693186 846483784 /nfs/dbraw/zinc/48/37/84/846483784.db2.gz GBNYUDYXSJYITC-HOTGVXAUSA-N 0 3 377.488 3.674 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183196415 846522886 /nfs/dbraw/zinc/52/28/86/846522886.db2.gz NTWJLYFLLDUNLO-UHFFFAOYSA-N 0 3 384.358 3.526 20 5 GHBDHN CC(C)CN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000502076060 847441810 /nfs/dbraw/zinc/44/18/10/847441810.db2.gz QEQNNPSRBPZZON-UHFFFAOYSA-N 0 3 393.285 3.684 20 5 GHBDHN C[C@@H]1C[C@@]1(NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503380720 847655080 /nfs/dbraw/zinc/65/50/80/847655080.db2.gz XVHPBXWGOCRHNO-AZOIQLNYSA-N 0 3 376.840 3.513 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000582857838 848573417 /nfs/dbraw/zinc/57/34/17/848573417.db2.gz FZKQWBRVVBJWPT-MRXNPFEDSA-N 0 3 392.843 3.681 20 5 GHBDHN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000481650199 861950560 /nfs/dbraw/zinc/95/05/60/861950560.db2.gz MCCMKWCTUYDCBE-UHFFFAOYSA-N 0 3 382.464 3.686 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000061502606 862058266 /nfs/dbraw/zinc/05/82/66/862058266.db2.gz TXXKNNDPUKBWIJ-FQEVSTJZSA-N 0 3 397.475 3.625 20 5 GHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000514577078 850016936 /nfs/dbraw/zinc/01/69/36/850016936.db2.gz AITNCUMWCHSDCH-FQEVSTJZSA-N 0 3 381.476 3.798 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000518765664 850061997 /nfs/dbraw/zinc/06/19/97/850061997.db2.gz VNDVULVMSIUGIQ-QGZVFWFLSA-N 0 3 391.418 3.950 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000481720089 862097071 /nfs/dbraw/zinc/09/70/71/862097071.db2.gz SJOHSLVITPEWKB-JOCHJYFZSA-N 0 3 395.459 3.753 20 5 GHBDHN CC(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000504868455 850380274 /nfs/dbraw/zinc/38/02/74/850380274.db2.gz FVVJVMAILWTQPN-HXUWFJFHSA-N 0 3 382.464 3.799 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)c1ccccc1 ZINC000504928146 850465736 /nfs/dbraw/zinc/46/57/36/850465736.db2.gz ZRJXCMSTLJAXJS-HNNXBMFYSA-N 0 3 394.518 3.529 20 5 GHBDHN C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N(C)C ZINC001269734347 850782541 /nfs/dbraw/zinc/78/25/41/850782541.db2.gz BBXJTBJJFQEAKQ-VBKZILBWSA-N 0 3 389.883 3.988 20 5 GHBDHN Cn1c(CNCCc2ccc([N+](=O)[O-])cc2)nc2cc(C(F)(F)F)ccc21 ZINC000132795926 862268587 /nfs/dbraw/zinc/26/85/87/862268587.db2.gz JQMZCMLTFPEMBR-UHFFFAOYSA-N 0 3 378.354 3.833 20 5 GHBDHN CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2C1 ZINC000604540236 862291898 /nfs/dbraw/zinc/29/18/98/862291898.db2.gz FOQXRZZLCQMKPB-UHFFFAOYSA-N 0 3 392.459 3.643 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)C3CCCCC3)cs2)c1 ZINC000550275198 852254148 /nfs/dbraw/zinc/25/41/48/852254148.db2.gz XMTOPMZKLTUESZ-INIZCTEOSA-N 0 3 375.494 3.997 20 5 GHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029178510 852584400 /nfs/dbraw/zinc/58/44/00/852584400.db2.gz TYGSQMLMZXRCAS-NRFANRHFSA-N 0 3 396.491 3.740 20 5 GHBDHN CN(C)C(=O)C(C)(C)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000108422938 853069990 /nfs/dbraw/zinc/06/99/90/853069990.db2.gz ZULUNNCBPSMAQW-UHFFFAOYSA-N 0 3 391.855 3.997 20 5 GHBDHN C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)Cc1ccccc1 ZINC000426351053 853543906 /nfs/dbraw/zinc/54/39/06/853543906.db2.gz HFRFBTNQAMULGS-KRWDZBQOSA-N 0 3 396.491 3.789 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000571429505 853877513 /nfs/dbraw/zinc/87/75/13/853877513.db2.gz GJNMGGZLDSSXBE-RLFYNMQTSA-N 0 3 391.537 3.899 20 5 GHBDHN CCC(CC)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000165339430 854876500 /nfs/dbraw/zinc/87/65/00/854876500.db2.gz LJOLWLCMZHTOGG-UHFFFAOYSA-N 0 3 384.274 3.949 20 5 GHBDHN CC(C)C1CCC(N2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)CC1 ZINC000301539311 855204578 /nfs/dbraw/zinc/20/45/78/855204578.db2.gz BNXYQZMEEVITIH-UHFFFAOYSA-N 0 3 399.495 3.580 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591066137 855763310 /nfs/dbraw/zinc/76/33/10/855763310.db2.gz JNJJCUCDVKXDFV-BULFRSBZSA-N 0 3 393.487 3.821 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000733104528 862720327 /nfs/dbraw/zinc/72/03/27/862720327.db2.gz FZDKQPGMZPIJMW-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN C[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C)Cc1ccccc1 ZINC000485589927 856793096 /nfs/dbraw/zinc/79/30/96/856793096.db2.gz HKMYCYXLIJWICS-QGZVFWFLSA-N 0 3 396.491 3.789 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000245619289 857008291 /nfs/dbraw/zinc/00/82/91/857008291.db2.gz DRBFTGGEGHEYOX-CVAIRZPRSA-N 0 3 382.464 3.709 20 5 GHBDHN CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](c2ccccc2)C1 ZINC000245867789 857185263 /nfs/dbraw/zinc/18/52/63/857185263.db2.gz QTCMLTAPFRGGPC-HXUWFJFHSA-N 0 3 392.459 3.781 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000174042477 857202511 /nfs/dbraw/zinc/20/25/11/857202511.db2.gz VCCCLWIBFXAYHX-YOEHRIQHSA-N 0 3 387.436 3.998 20 5 GHBDHN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000113208319 857361943 /nfs/dbraw/zinc/36/19/43/857361943.db2.gz SHZTWKODUIYEOW-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN O=C(CCc1ccccc1)N1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192952809 857766983 /nfs/dbraw/zinc/76/69/83/857766983.db2.gz INEIXGJOAIVVEU-SIKLNZKXSA-N 0 3 393.487 3.796 20 5 GHBDHN COCCOc1ccc([C@@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000594495453 858192176 /nfs/dbraw/zinc/19/21/76/858192176.db2.gz YEJKHMVDOPPSST-KDOFPFPSSA-N 0 3 386.448 3.967 20 5 GHBDHN CCN(CC)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1ccco1 ZINC000078878174 858285124 /nfs/dbraw/zinc/28/51/24/858285124.db2.gz GJJQKMFEDLUCOD-SFHVURJKSA-N 0 3 386.452 3.575 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593113974 858659102 /nfs/dbraw/zinc/65/91/02/858659102.db2.gz YMTDRSSVVOOSAN-OAHLLOKOSA-N 0 3 396.365 3.632 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593147426 858787132 /nfs/dbraw/zinc/78/71/32/858787132.db2.gz MOFNVGBUOUSJPY-NEPJUHHUSA-N 0 3 376.331 3.680 20 5 GHBDHN COc1ccc(C[C@H](C)NCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC001170317980 881348818 /nfs/dbraw/zinc/34/88/18/881348818.db2.gz NPRSBFFWLNVHJD-HNNXBMFYSA-N 0 3 393.443 3.916 20 5 GHBDHN C[S@](=O)CCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000116918787 859221287 /nfs/dbraw/zinc/22/12/87/859221287.db2.gz BTMIIPCAYFQBND-RUZDIDTESA-N 0 3 382.869 3.899 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000489396717 859369557 /nfs/dbraw/zinc/36/95/57/859369557.db2.gz DMIQEIWKMNIUIH-JXFKEZNVSA-N 0 3 384.480 3.875 20 5 GHBDHN CCc1ccc([C@@H](NC[C@@]2(N(C)C)CCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403732 859589450 /nfs/dbraw/zinc/58/94/50/859589450.db2.gz KOXBUMFDOZUPTM-PMACEKPBSA-N 0 3 389.521 3.867 20 5 GHBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000611155151 859627780 /nfs/dbraw/zinc/62/77/80/859627780.db2.gz NGRYFCUBBHMYDO-OAQYLSRUSA-N 0 3 396.491 3.664 20 5 GHBDHN O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000611197685 859639580 /nfs/dbraw/zinc/63/95/80/859639580.db2.gz XIIUDOPREFUBEU-UHFFFAOYSA-N 0 3 395.415 3.550 20 5 GHBDHN Cc1ccc(Sc2ccc(C(=O)N3CCN4CC[C@H]3C4)cc2[N+](=O)[O-])cc1 ZINC000597710262 859756190 /nfs/dbraw/zinc/75/61/90/859756190.db2.gz RVQDBKTVZLVQRQ-INIZCTEOSA-N 0 3 383.473 3.585 20 5 GHBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000593447742 859837300 /nfs/dbraw/zinc/83/73/00/859837300.db2.gz JDHUKSSUNRLJSI-IBGZPJMESA-N 0 3 385.439 3.620 20 5 GHBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474328703 859861631 /nfs/dbraw/zinc/86/16/31/859861631.db2.gz GMHYLPVYRROZMA-MRXNPFEDSA-N 0 3 388.855 3.986 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000131313855 859944506 /nfs/dbraw/zinc/94/45/06/859944506.db2.gz BHANITUILBYYFZ-MRXNPFEDSA-N 0 3 377.510 3.653 20 5 GHBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000484499209 860047542 /nfs/dbraw/zinc/04/75/42/860047542.db2.gz LTQKGDRJQPFYCN-WTNAPCKOSA-N 0 3 383.492 3.925 20 5 GHBDHN CC(C)(C)c1csc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602540211 860087385 /nfs/dbraw/zinc/08/73/85/860087385.db2.gz KJSPOEPFSDSHDF-UHFFFAOYSA-N 0 3 375.498 3.502 20 5 GHBDHN CCCc1noc([C@@H]2CCCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)n1 ZINC001170352042 881498234 /nfs/dbraw/zinc/49/82/34/881498234.db2.gz KGFAQPBXXQLKIR-GDBMZVCRSA-N 0 3 388.468 3.750 20 5 GHBDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000484656765 860230016 /nfs/dbraw/zinc/23/00/16/860230016.db2.gz URYJPLKYAPCZGI-FXAWDEMLSA-N 0 3 383.448 3.822 20 5 GHBDHN Cc1cccc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000025534451 860535137 /nfs/dbraw/zinc/53/51/37/860535137.db2.gz OQNWGOZZALLXJP-HXUWFJFHSA-N 0 3 381.476 3.716 20 5 GHBDHN COc1ccc([C@H](C)N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000599072167 860778742 /nfs/dbraw/zinc/77/87/42/860778742.db2.gz DDNQFOUUJKPFOR-KGLIPLIRSA-N 0 3 387.436 3.680 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000603589778 860875940 /nfs/dbraw/zinc/87/59/40/860875940.db2.gz BGTOBXZJABSOBV-UHFFFAOYSA-N 0 3 398.463 3.518 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccccc3)CC2)c(OC(F)F)c1 ZINC000302049760 861183696 /nfs/dbraw/zinc/18/36/96/861183696.db2.gz NDOMKUAJLYRYJF-UHFFFAOYSA-N 0 3 377.391 3.909 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000522881742 863629878 /nfs/dbraw/zinc/62/98/78/863629878.db2.gz MPZWPGJGCTWDOV-SFHVURJKSA-N 0 3 375.856 3.843 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1F ZINC000594020140 863760136 /nfs/dbraw/zinc/76/01/36/863760136.db2.gz YTSSAMCFCJLLBP-MRXNPFEDSA-N 0 3 375.400 3.812 20 5 GHBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000475109421 864188360 /nfs/dbraw/zinc/18/83/60/864188360.db2.gz QUXGOJZCFSWFIJ-WMZOPIPTSA-N 0 3 397.475 3.901 20 5 GHBDHN CSc1cccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000186061261 864230650 /nfs/dbraw/zinc/23/06/50/864230650.db2.gz BBSKHKYPPWYLGJ-UHFFFAOYSA-N 0 3 389.477 3.646 20 5 GHBDHN COc1cc(CN[C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000186334187 864861642 /nfs/dbraw/zinc/86/16/42/864861642.db2.gz AINSUSDQHLFFDM-DZGCQCFKSA-N 0 3 388.411 3.888 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@H]1CCOC1)c1ccccc1 ZINC000042183429 865478071 /nfs/dbraw/zinc/47/80/71/865478071.db2.gz ZCOYGQWZAYXFPN-ACJLOTCBSA-N 0 3 389.839 3.554 20 5 GHBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000186501493 866015148 /nfs/dbraw/zinc/01/51/48/866015148.db2.gz DRWFNMLLCASYSJ-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN O=C(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1Cc2ccccc2C1 ZINC000475498362 866060605 /nfs/dbraw/zinc/06/06/05/866060605.db2.gz NMSUZLNZZPSSOR-UHFFFAOYSA-N 0 3 393.468 3.955 20 5 GHBDHN COc1ccc(COC(=O)C2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000741331483 866417627 /nfs/dbraw/zinc/41/76/27/866417627.db2.gz UBQJOVIDYPTOIJ-UHFFFAOYSA-N 0 3 384.432 3.559 20 5 GHBDHN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000741333251 866420627 /nfs/dbraw/zinc/42/06/27/866420627.db2.gz ZCGAYBZHMQXDSP-UHFFFAOYSA-N 0 3 398.459 3.819 20 5 GHBDHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-n2cccn2)c1 ZINC000183566707 866856448 /nfs/dbraw/zinc/85/64/48/866856448.db2.gz RYBPLSVPKCLRJD-CYBMUJFWSA-N 0 3 399.838 3.723 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOc3cccc4ccccc43)C2)nc1 ZINC000440482665 866914742 /nfs/dbraw/zinc/91/47/42/866914742.db2.gz BNWADTFXFBSUFE-QGZVFWFLSA-N 0 3 378.432 3.708 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)C4(CC4)C3)o2)c(Br)c1 ZINC000428384246 867554628 /nfs/dbraw/zinc/55/46/28/867554628.db2.gz WZIPTCVTLXYGKS-INIZCTEOSA-N 0 3 393.237 3.574 20 5 GHBDHN C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000742962633 867700807 /nfs/dbraw/zinc/70/08/07/867700807.db2.gz NQAFTQNYXMQIHF-ZPHJMFTNSA-N 0 3 379.460 3.731 20 5 GHBDHN Cc1c(NC(=O)CCN[C@@H](CCO)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000553942665 868476026 /nfs/dbraw/zinc/47/60/26/868476026.db2.gz AIUREGJPHBAIQV-KRWDZBQOSA-N 0 3 391.855 3.599 20 5 GHBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183966587 868836603 /nfs/dbraw/zinc/83/66/03/868836603.db2.gz SCMMWUDODVCHKQ-CQSZACIVSA-N 0 3 391.418 3.567 20 5 GHBDHN C[C@@H]1CN(CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000491262452 869277207 /nfs/dbraw/zinc/27/72/07/869277207.db2.gz YRMWXGOAUXQXDA-HMFYCAOWSA-N 0 3 383.492 3.773 20 5 GHBDHN C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000524885153 869730725 /nfs/dbraw/zinc/73/07/25/869730725.db2.gz KZKNAKLLAKEOJK-ROUUACIJSA-N 0 3 396.491 3.962 20 5 GHBDHN COc1ccc([C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)N(C)C)cc1OC ZINC000121676702 870310077 /nfs/dbraw/zinc/31/00/77/870310077.db2.gz OQGXWUMPBLQDPC-HNNXBMFYSA-N 0 3 381.379 3.605 20 5 GHBDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617742715 870821754 /nfs/dbraw/zinc/82/17/54/870821754.db2.gz UKNCVQAFFLRNFH-MSOLQXFVSA-N 0 3 381.476 3.821 20 5 GHBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2c(Br)cccc2Br)C1 ZINC001168992887 871073629 /nfs/dbraw/zinc/07/36/29/871073629.db2.gz LFVWDPHMQOKDTM-VHSXEESVSA-N 0 3 392.091 3.747 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c1 ZINC000525649449 871183165 /nfs/dbraw/zinc/18/31/65/871183165.db2.gz PKRUJSHLJJZCTK-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CC(C)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000540427087 871258185 /nfs/dbraw/zinc/25/81/85/871258185.db2.gz OAKDOOPMXHKETB-KXBFYZLASA-N 0 3 380.391 3.600 20 5 GHBDHN CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC001194193525 871549081 /nfs/dbraw/zinc/54/90/81/871549081.db2.gz USCQXTQTFJSQKX-RTBURBONSA-N 0 3 391.855 3.535 20 5 GHBDHN COC[C@@](C)(O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000069912118 871684808 /nfs/dbraw/zinc/68/48/08/871684808.db2.gz JXEYTRNRHNJUKC-SFHVURJKSA-N 0 3 380.828 3.528 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)c1 ZINC001194445223 871724502 /nfs/dbraw/zinc/72/45/02/871724502.db2.gz HFGDGNPEIIFFQV-WOJBJXKFSA-N 0 3 398.459 3.855 20 5 GHBDHN COc1cc(CN2CCC[C@]2(CO)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000191651535 882550524 /nfs/dbraw/zinc/55/05/24/882550524.db2.gz GZTRBXQINPMYIP-GOSISDBHSA-N 0 3 388.411 3.578 20 5 GHBDHN CCOc1cc(CN2[C@H](C)C[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000525996892 871838795 /nfs/dbraw/zinc/83/87/95/871838795.db2.gz REJWKNDGQPZZHH-GASCZTMLSA-N 0 3 388.468 3.560 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(Cl)cc3c2OCC3)n1 ZINC000447598600 871912059 /nfs/dbraw/zinc/91/20/59/871912059.db2.gz VXCFOQPRWAMOTF-HOTGVXAUSA-N 0 3 376.844 3.653 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000552058724 871950245 /nfs/dbraw/zinc/95/02/45/871950245.db2.gz XRPTVRBRTXCZOX-WSTZPKSXSA-N 0 3 397.475 3.783 20 5 GHBDHN CCOc1ccc([C@H]2CCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182199176 872019225 /nfs/dbraw/zinc/01/92/25/872019225.db2.gz WQBVLAZMSAUXDH-PKOBYXMFSA-N 0 3 386.448 3.570 20 5 GHBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000478005656 872341467 /nfs/dbraw/zinc/34/14/67/872341467.db2.gz WSBLTNWTFZRMEH-CYBMUJFWSA-N 0 3 397.298 3.723 20 5 GHBDHN O=C(C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1)N1CCCC1 ZINC000122490521 874757923 /nfs/dbraw/zinc/75/79/23/874757923.db2.gz AUWGOQVEUVTQQG-UHFFFAOYSA-N 0 3 383.448 3.689 20 5 GHBDHN COC(=O)C[C@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCOC1 ZINC000770681520 874820198 /nfs/dbraw/zinc/82/01/98/874820198.db2.gz XDFMNYRXEHSOJT-LJQANCHMSA-N 0 3 390.461 3.525 20 5 GHBDHN CC(C)CN1CCO[C@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000491409504 875675239 /nfs/dbraw/zinc/67/52/39/875675239.db2.gz HUKODKIUCQQPBG-FGZHOGPDSA-N 0 3 383.492 3.631 20 5 GHBDHN O=C(NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccccc1 ZINC000786106406 876448889 /nfs/dbraw/zinc/44/88/89/876448889.db2.gz UYFGEQAEHQGJET-UHFFFAOYSA-N 0 3 383.448 3.733 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000850433368 876916590 /nfs/dbraw/zinc/91/65/90/876916590.db2.gz LOTJQTGOOUGMJV-CABCVRRESA-N 0 3 393.484 3.901 20 5 GHBDHN O=C(OCC1CCN(Cc2ccco2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000772690996 876985622 /nfs/dbraw/zinc/98/56/22/876985622.db2.gz RUMLQCPFLOXFQW-UHFFFAOYSA-N 0 3 383.404 3.738 20 5 GHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N(CCN1CCCC1)c1ccccc1 ZINC000610069028 877363160 /nfs/dbraw/zinc/36/31/60/877363160.db2.gz NAPQODHQBHRGSI-UHFFFAOYSA-N 0 3 396.491 3.916 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451345916 877794954 /nfs/dbraw/zinc/79/49/54/877794954.db2.gz RKHIATJCQJXBBZ-PILAGYSTSA-N 0 3 386.452 3.721 20 5 GHBDHN CC1(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)CC1 ZINC000772718805 878058523 /nfs/dbraw/zinc/05/85/23/878058523.db2.gz NGMFBSDZBKPTMO-UHFFFAOYSA-N 0 3 398.459 3.819 20 5 GHBDHN C[C@H](SCCN(C)Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000788508971 878115144 /nfs/dbraw/zinc/11/51/44/878115144.db2.gz LJEGXWVLICCILC-AWEZNQCLSA-N 0 3 391.468 3.926 20 5 GHBDHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1 ZINC000788649689 878209888 /nfs/dbraw/zinc/20/98/88/878209888.db2.gz LVYRZWBECFVAAM-UHFFFAOYSA-N 0 3 386.429 3.577 20 5 GHBDHN CS[C@H](CO)[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000152509136 879342712 /nfs/dbraw/zinc/34/27/12/879342712.db2.gz GJKFHXLBRVDPGI-KPZWWZAWSA-N 0 3 380.441 3.728 20 5 GHBDHN C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000461265339 879478464 /nfs/dbraw/zinc/47/84/64/879478464.db2.gz QYENMWZWYMOXQL-GOSISDBHSA-N 0 3 395.503 3.597 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000538568027 879731817 /nfs/dbraw/zinc/73/18/17/879731817.db2.gz KYCAPUDTMMTQRQ-SUMWQHHRSA-N 0 3 377.510 3.700 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)N(C)C)cc1 ZINC000854473768 879836955 /nfs/dbraw/zinc/83/69/55/879836955.db2.gz DCKOFVHAMDXICU-LJQANCHMSA-N 0 3 389.427 3.554 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000453279033 880720241 /nfs/dbraw/zinc/72/02/41/880720241.db2.gz KUSQULKGJOXUJF-OAHLLOKOSA-N 0 3 386.452 3.675 20 5 GHBDHN CCN(CC)Cc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000859680593 883986375 /nfs/dbraw/zinc/98/63/75/883986375.db2.gz GAQZUOXEAURFBM-UHFFFAOYSA-N 0 3 388.395 3.615 20 5 GHBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000498377285 884219767 /nfs/dbraw/zinc/21/97/67/884219767.db2.gz YGPMELBXLDNJQR-GDBMZVCRSA-N 0 3 377.828 3.513 20 5 GHBDHN CC(C)(C)c1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000428548516 884578413 /nfs/dbraw/zinc/57/84/13/884578413.db2.gz OQJDAOYUPAPHCM-SFHVURJKSA-N 0 3 397.475 3.711 20 5 GHBDHN CC[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000914735135 884650852 /nfs/dbraw/zinc/65/08/52/884650852.db2.gz MLUCBPAMNANVAV-JTPHSUOKSA-N 0 3 379.460 3.561 20 5 GHBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C1CCN(C)CC1 ZINC000154069343 889161938 /nfs/dbraw/zinc/16/19/38/889161938.db2.gz WDGYZYTYZWDGDM-UHFFFAOYSA-N 0 3 377.510 3.796 20 5 GHBDHN COc1ccc(-c2ccc(CNCCOc3ncccc3F)o2)c([N+](=O)[O-])c1 ZINC000533007662 889510639 /nfs/dbraw/zinc/51/06/39/889510639.db2.gz WMZMNCVZQLHZMY-UHFFFAOYSA-N 0 3 387.367 3.566 20 5 GHBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000124492158 889648309 /nfs/dbraw/zinc/64/83/09/889648309.db2.gz KLYJILQMBGDYPF-WCFLWFBJSA-N 0 3 389.374 3.641 20 5 GHBDHN O=C(CN[C@@H](c1ccccc1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533064826 889663121 /nfs/dbraw/zinc/66/31/21/889663121.db2.gz ALIQKKIOBHHFHL-NRFANRHFSA-N 0 3 397.431 3.783 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnn(CN3CCCN4c5ccccc5C[C@@H]4C3)c2)c1 ZINC000811784139 889998366 /nfs/dbraw/zinc/99/83/66/889998366.db2.gz ORARGHPVCASHAJ-OAQYLSRUSA-N 0 3 389.459 3.553 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H](C)[C@@H](O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000533466141 890623865 /nfs/dbraw/zinc/62/38/65/890623865.db2.gz PTCGQLUBDMUKFT-BTYIYWSLSA-N 0 3 396.443 3.945 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)N(C)C)cc1 ZINC000825596033 891235428 /nfs/dbraw/zinc/23/54/28/891235428.db2.gz VWKAOWTWFONKCZ-SFHVURJKSA-N 0 3 375.856 3.898 20 5 GHBDHN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(C)[N+](=O)[O-])cc3)ccc12 ZINC000813105560 891273111 /nfs/dbraw/zinc/27/31/11/891273111.db2.gz ONEHEHSQTVUHLF-CQSZACIVSA-N 0 3 397.383 3.502 20 5 GHBDHN Cc1cc(C(F)(F)F)nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000873545068 891678229 /nfs/dbraw/zinc/67/82/29/891678229.db2.gz ONYFDFAYYJSFNH-NOZJJQNGSA-N 0 3 387.289 3.506 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC000154439360 892179621 /nfs/dbraw/zinc/17/96/21/892179621.db2.gz MXNYDKUIPOWCJE-PMACEKPBSA-N 0 3 398.484 3.926 20 5 GHBDHN COC(=O)c1cc(C)nc(NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC001185105643 913665867 /nfs/dbraw/zinc/66/58/67/913665867.db2.gz CDJSZKWTMHEHBG-SFHVURJKSA-N 0 3 398.463 3.642 20 5 GHBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCN(CCCc2ccccc2)CC1 ZINC000563743963 894136984 /nfs/dbraw/zinc/13/69/84/894136984.db2.gz UXJNVVDQTSBCMW-UHFFFAOYSA-N 0 3 381.476 3.942 20 5 GHBDHN C[C@@H](C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000564005856 894443205 /nfs/dbraw/zinc/44/32/05/894443205.db2.gz QYGDENZRRYAPOZ-IAGOWNOFSA-N 0 3 399.466 3.960 20 5 GHBDHN C[C@@H](CCO)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000537345432 894808304 /nfs/dbraw/zinc/80/83/04/894808304.db2.gz ZZEQTSZUHYPHDU-AWEZNQCLSA-N 0 3 375.494 3.997 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000568010727 897535583 /nfs/dbraw/zinc/53/55/83/897535583.db2.gz QLCZFAAGFRXYCH-HXUWFJFHSA-N 0 3 385.489 3.711 20 5 GHBDHN Cn1cc([C@@H](NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2cccc(F)c2)cn1 ZINC000569499294 898720230 /nfs/dbraw/zinc/72/02/30/898720230.db2.gz FXBGLAMDYLEIJK-NRFANRHFSA-N 0 3 393.422 3.870 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])c1 ZINC000118840141 899482030 /nfs/dbraw/zinc/48/20/30/899482030.db2.gz RIPQNEIBAGWTNB-IBGZPJMESA-N 0 3 386.452 3.622 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)N(C)C)cc1 ZINC000824244689 899489710 /nfs/dbraw/zinc/48/97/10/899489710.db2.gz KLIYKNRPYDFOEK-HNNXBMFYSA-N 0 3 377.391 3.523 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@H]1CCCN(CCCO)C1 ZINC001186492575 914578262 /nfs/dbraw/zinc/57/82/62/914578262.db2.gz UXIXYXLCUXYYBO-JTQLQIEISA-N 0 3 381.782 3.526 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000577018255 902435702 /nfs/dbraw/zinc/43/57/02/902435702.db2.gz RDOWHUZYDCJCPB-CZUORRHYSA-N 0 3 382.420 3.595 20 5 GHBDHN COc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC(F)F ZINC000845874417 902476996 /nfs/dbraw/zinc/47/69/96/902476996.db2.gz IEUGUROOMKFHPY-QFYYESIMSA-N 0 3 399.321 3.999 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F)[N+](=O)[O-] ZINC000845874251 902478290 /nfs/dbraw/zinc/47/82/90/902478290.db2.gz GNKFDSMNBSNZCJ-DINDLPBHSA-N 0 3 394.330 3.926 20 5 GHBDHN COc1ccc2[nH]cc(CC(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])c2c1 ZINC000845875437 902479699 /nfs/dbraw/zinc/47/96/99/902479699.db2.gz MPXUTCNNSVQECO-MPBGBICISA-N 0 3 386.379 3.808 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(OC(C)(C)C)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883528 902486864 /nfs/dbraw/zinc/48/68/64/902486864.db2.gz UMBADVVZDJGWFH-YVEFUNNKSA-N 0 3 376.384 3.961 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(F)cc2Br)n1 ZINC000577338413 902697060 /nfs/dbraw/zinc/69/70/60/902697060.db2.gz CTDWWURVGPTPOS-HUUCEWRRSA-N 0 3 397.248 3.966 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000775037547 914666871 /nfs/dbraw/zinc/66/68/71/914666871.db2.gz AFIRLCSLEDLTEE-HOCLYGCPSA-N 0 3 393.484 3.871 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000048148571 902957535 /nfs/dbraw/zinc/95/75/35/902957535.db2.gz VNHJYHRCMNVFLY-UHFFFAOYSA-N 0 3 397.353 3.850 20 5 GHBDHN Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(CN(C)C)c1 ZINC000264987379 903536336 /nfs/dbraw/zinc/53/63/36/903536336.db2.gz APLKRBZQFJZXEZ-UHFFFAOYSA-N 0 3 396.491 3.820 20 5 GHBDHN CC(C)[C@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCN1 ZINC001148131349 903996116 /nfs/dbraw/zinc/99/61/16/903996116.db2.gz OCUNGJZNVBAEBN-LJQANCHMSA-N 0 3 385.489 3.816 20 5 GHBDHN C[C@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000801571686 921142229 /nfs/dbraw/zinc/14/22/29/921142229.db2.gz ZNEBYUJZQOPWEL-JSGCOSHPSA-N 0 3 389.839 3.559 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000801587524 921168135 /nfs/dbraw/zinc/16/81/35/921168135.db2.gz QOUQYKRBAWAFIU-INIZCTEOSA-N 0 3 381.448 3.859 20 5 GHBDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000182551885 907227649 /nfs/dbraw/zinc/22/76/49/907227649.db2.gz YARGNXHBLGUSBX-AWEZNQCLSA-N 0 3 384.436 3.541 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(CN2CCN(CC)CC2)cc1 ZINC001177349288 908546586 /nfs/dbraw/zinc/54/65/86/908546586.db2.gz KZCBNUQGZKKDIP-UHFFFAOYSA-N 0 3 398.507 3.743 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001177459122 908577466 /nfs/dbraw/zinc/57/74/66/908577466.db2.gz MEZJZFBDTRQNAG-HNNXBMFYSA-N 0 3 398.381 3.760 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000292748230 915824537 /nfs/dbraw/zinc/82/45/37/915824537.db2.gz VMHUMACRWBPYGR-INIZCTEOSA-N 0 3 381.354 3.646 20 5 GHBDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001191474264 918010090 /nfs/dbraw/zinc/01/00/90/918010090.db2.gz ICIAAAWMOFITEG-HGHGUNKESA-N 0 3 379.460 3.653 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)n1 ZINC000369662173 923523499 /nfs/dbraw/zinc/52/34/99/923523499.db2.gz FZGNQGCMYXJALF-UHFFFAOYSA-N 0 3 384.358 3.570 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000749675425 927230543 /nfs/dbraw/zinc/23/05/43/927230543.db2.gz ZCHUFKOKCBFUHD-MJGOQNOKSA-N 0 3 376.840 3.825 20 5 GHBDHN CN(C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000750282382 927533495 /nfs/dbraw/zinc/53/34/95/927533495.db2.gz FXYJNNBNDRKVEF-INIZCTEOSA-N 0 3 393.484 3.553 20 5 GHBDHN CN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000758264459 929994273 /nfs/dbraw/zinc/99/42/73/929994273.db2.gz HNBTUGNKANYHDT-YLJYHZDGSA-N 0 3 384.411 3.893 20 5 GHBDHN COCCCC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000471025568 931103865 /nfs/dbraw/zinc/10/38/65/931103865.db2.gz NEPQLRZZDCRXOL-HXUWFJFHSA-N 0 3 397.475 3.632 20 5 GHBDHN COc1ccc(C)cc1[C@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782530499 931259467 /nfs/dbraw/zinc/25/94/67/931259467.db2.gz HBGBSHPAMTXTEV-ZDUSSCGKSA-N 0 3 375.400 3.730 20 5 GHBDHN CCCN(CCN1CCCC1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000557577630 931554905 /nfs/dbraw/zinc/55/49/05/931554905.db2.gz WKZNKBDUUWOPJT-UHFFFAOYSA-N 0 3 398.301 3.614 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1Oc1ccccc1 ZINC000783680292 931616167 /nfs/dbraw/zinc/61/61/67/931616167.db2.gz WAOYERYGKQSUOV-BHIYHBOVSA-N 0 3 376.840 3.963 20 5 GHBDHN Cc1cc([C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C2CC2)ccc1F ZINC000557709353 931623924 /nfs/dbraw/zinc/62/39/24/931623924.db2.gz MYULQVKDNSHFIZ-WOJBJXKFSA-N 0 3 383.423 3.889 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(CC(F)(F)F)CC1 ZINC000560171568 933108554 /nfs/dbraw/zinc/10/85/54/933108554.db2.gz URRYUPCIGGZJFS-UHFFFAOYSA-N 0 3 387.358 3.557 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)c1ccco1 ZINC000561359011 934079356 /nfs/dbraw/zinc/07/93/56/934079356.db2.gz RYKLXSNSDSKHAO-PWSUYJOCSA-N 0 3 397.273 3.617 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)c1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 ZINC000828807027 935716182 /nfs/dbraw/zinc/71/61/82/935716182.db2.gz IHPSZRMIIOIHSX-SFHLNBCPSA-N 0 3 388.439 3.573 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccnc(OC2CCOCC2)c1 ZINC000468641063 1015865914 /nfs/dbraw/zinc/86/59/14/1015865914.db2.gz CKNKXVBRUCDJEU-WJDWOHSUSA-N 0 3 383.448 3.741 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccccc1N1CCOCC1 ZINC000470173541 1016742573 /nfs/dbraw/zinc/74/25/73/1016742573.db2.gz CKIRYAQGKABMMR-JXAWBTAJSA-N 0 3 381.476 3.967 20 5 GHBDHN O=C(N1C[C@@H]2CCCN2Cc2ccccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777946368 1017904127 /nfs/dbraw/zinc/90/41/27/1017904127.db2.gz HTZWOHURSIZOLP-KRWDZBQOSA-N 0 3 387.386 3.698 20 5 GHBDHN CC1(C)CCCN(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001155877327 1032758278 /nfs/dbraw/zinc/75/82/78/1032758278.db2.gz ITLCSNWFFSYOLO-UHFFFAOYSA-N 0 3 388.493 3.570 20 5 GHBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194244173 1020964292 /nfs/dbraw/zinc/96/42/92/1020964292.db2.gz OJVYTTHSBDPCHJ-KRWDZBQOSA-N 0 3 397.475 3.778 20 5 GHBDHN O=[N+]([O-])c1cc(NCC2CN(Cc3ccccc3)C2)c2ncnc(Cl)c2c1 ZINC001156403018 1033019616 /nfs/dbraw/zinc/01/96/16/1033019616.db2.gz FGZVPCIQFSWRCO-UHFFFAOYSA-N 0 3 383.839 3.735 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000754361278 1022640586 /nfs/dbraw/zinc/64/05/86/1022640586.db2.gz RONJLENIJYDQNG-JIHAQRTOSA-N 0 3 379.460 3.731 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001229055983 1033253674 /nfs/dbraw/zinc/25/36/74/1033253674.db2.gz IZYFAXLEKCPWTL-MGPUTAFESA-N 0 3 384.432 3.671 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@H]2CCN(CC(F)F)C2)o1 ZINC001202859679 1025259178 /nfs/dbraw/zinc/25/91/78/1025259178.db2.gz JHXKOJREACMUKS-LBPRGKRZSA-N 0 3 385.798 3.937 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(OC)c1 ZINC000839232828 1025747434 /nfs/dbraw/zinc/74/74/34/1025747434.db2.gz UAYAEGWLPZZNEJ-LJQANCHMSA-N 0 3 389.427 3.555 20 5 GHBDHN CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001162757586 1025908010 /nfs/dbraw/zinc/90/80/10/1025908010.db2.gz BNZZGFFRTFCATJ-SECBINFHSA-N 0 3 392.872 3.899 20 5 GHBDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001162777321 1025915794 /nfs/dbraw/zinc/91/57/94/1025915794.db2.gz PYVIUGSKUTUDLC-GFCCVEGCSA-N 0 3 382.420 3.909 20 5 GHBDHN CC(C)(C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001461053969 1069364227 /nfs/dbraw/zinc/36/42/27/1069364227.db2.gz PXKUBHANQGCSNF-NQIIRXRSSA-N 0 3 393.487 3.605 20 5 GHBDHN O=[N+]([O-])c1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1Br ZINC000839582149 1026079366 /nfs/dbraw/zinc/07/93/66/1026079366.db2.gz XSUDKWPDCOVIJU-DAXOMENPSA-N 0 3 381.270 3.795 20 5 GHBDHN C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H](C)CN1Cc1ccccc1 ZINC001165202834 1026665295 /nfs/dbraw/zinc/66/52/95/1026665295.db2.gz PMWMATQOMHJDQG-HOTGVXAUSA-N 0 3 377.448 3.637 20 5 GHBDHN CN(CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)CC(F)F ZINC001461667298 1069667996 /nfs/dbraw/zinc/66/79/96/1069667996.db2.gz CIFIOPQXRAWQAD-UHFFFAOYSA-N 0 3 383.370 3.813 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001225449632 1031420393 /nfs/dbraw/zinc/42/03/93/1031420393.db2.gz XFWZXIDXTYNCOC-FOIQADDNSA-N 0 3 384.432 3.671 20 5 GHBDHN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCCN(C)CC1 ZINC001229246497 1033365882 /nfs/dbraw/zinc/36/58/82/1033365882.db2.gz IAOCZCCNEQOCOK-GFCCVEGCSA-N 0 3 385.258 3.813 20 5 GHBDHN C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@](C)(O)c1ccccc1 ZINC001206517352 1033885330 /nfs/dbraw/zinc/88/53/30/1033885330.db2.gz RGGNVRTXARDNQZ-MEBBXXQBSA-N 0 3 385.283 3.805 20 5 GHBDHN CN1CCC(N(Cc2ccc(F)cc2)c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001158444879 1034079777 /nfs/dbraw/zinc/07/97/77/1034079777.db2.gz DQCWJUWQNBFEFI-UHFFFAOYSA-N 0 3 395.438 3.778 20 5 GHBDHN NCc1cc(Nc2cc(C(=O)OCc3ccccc3)cc([N+](=O)[O-])c2)ccn1 ZINC001159296226 1034530992 /nfs/dbraw/zinc/53/09/92/1034530992.db2.gz HSIDIWCJRBBMAF-UHFFFAOYSA-N 0 3 378.388 3.549 20 5 GHBDHN CSc1nc(Cl)c([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001159591763 1034681587 /nfs/dbraw/zinc/68/15/87/1034681587.db2.gz BWIVOEHNIIOGEU-VIFPVBQESA-N 0 3 390.856 3.633 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232221417 1035169281 /nfs/dbraw/zinc/16/92/81/1035169281.db2.gz YKVBZYVVGIPFRZ-WGMWDUQUSA-N 0 3 390.487 3.738 20 5 GHBDHN c1cncc(CN2CCC3(CN(Cc4ccc5ccc6cccnc6c5n4)C3)C2)c1 ZINC001232221410 1035169312 /nfs/dbraw/zinc/16/93/12/1035169312.db2.gz YEYFGKNURDGUFE-UHFFFAOYSA-N 0 3 395.510 3.886 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCN[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001246810337 1037645775 /nfs/dbraw/zinc/64/57/75/1037645775.db2.gz KNFXOHKMUYEING-KUHUBIRLSA-N 0 3 389.883 3.834 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(n2c3ccccc3oc2=O)CC1 ZINC001254560561 1040331541 /nfs/dbraw/zinc/33/15/41/1040331541.db2.gz VMPOVGFBGPBHBQ-HNNXBMFYSA-N 0 3 381.432 3.771 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001254562823 1040335771 /nfs/dbraw/zinc/33/57/71/1040335771.db2.gz PMJMFLITCSDCLM-OAHLLOKOSA-N 0 3 377.485 3.905 20 5 GHBDHN CC(C)(C)OC(=O)Nc1cccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254588821 1040362264 /nfs/dbraw/zinc/36/22/64/1040362264.db2.gz IPUMEPVBTUKDMT-INIZCTEOSA-N 0 3 384.436 3.594 20 5 GHBDHN COc1cc(C)ccc1OC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254609850 1040381352 /nfs/dbraw/zinc/38/13/52/1040381352.db2.gz ZLTQRSVNGNXEQK-IBGZPJMESA-N 0 3 382.460 3.922 20 5 GHBDHN COc1cc(N2CCC(NCc3ccc(F)c(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC001256085871 1041516354 /nfs/dbraw/zinc/51/63/54/1041516354.db2.gz SGCRHZSBKWPVPX-UHFFFAOYSA-N 0 3 395.381 3.779 20 5 GHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CN(C)C)cc1F ZINC001261364499 1045979406 /nfs/dbraw/zinc/97/94/06/1045979406.db2.gz LWBKUOLUXHXBMP-LLVKDONJSA-N 0 3 395.818 3.855 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC001306838537 1048922027 /nfs/dbraw/zinc/92/20/27/1048922027.db2.gz FWUNXMHMNZZSNS-QAPCUYQASA-N 0 3 385.464 3.855 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)(C)C1 ZINC001289678492 1049586624 /nfs/dbraw/zinc/58/66/24/1049586624.db2.gz CKUGYESSRJXJOG-UHFFFAOYSA-N 0 3 379.526 3.949 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC001290310422 1049797298 /nfs/dbraw/zinc/79/72/98/1049797298.db2.gz HKARXBCAKHEFBY-ACRUOGEOSA-N 0 3 381.476 3.680 20 5 GHBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001308079574 1049824663 /nfs/dbraw/zinc/82/46/63/1049824663.db2.gz MKBZOOBBYLYHKM-KBPBESRZSA-N 0 3 394.903 3.524 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001308757151 1050084032 /nfs/dbraw/zinc/08/40/32/1050084032.db2.gz CFBGNWPPSLUFKU-UHFFFAOYSA-N 0 3 393.443 3.954 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001310848844 1051647770 /nfs/dbraw/zinc/64/77/70/1051647770.db2.gz PEIFVYOXQADQEQ-BEFAXECRSA-N 0 3 382.464 3.942 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001310946665 1051725147 /nfs/dbraw/zinc/72/51/47/1051725147.db2.gz QGCRGVCBFROXTQ-GOSISDBHSA-N 0 3 398.463 3.780 20 5 GHBDHN C[C@H](CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001313352192 1053027834 /nfs/dbraw/zinc/02/78/34/1053027834.db2.gz NAADJLHXQNEVSX-VGSWGCGISA-N 0 3 396.491 3.662 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC001345606416 1055148355 /nfs/dbraw/zinc/14/83/55/1055148355.db2.gz POEYGNCWTWZHJB-UNMCSNQZSA-N 0 3 392.459 3.540 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(Br)c1 ZINC001324384163 1057123281 /nfs/dbraw/zinc/12/32/81/1057123281.db2.gz SBEXLEMACXKASK-NUEKZKHPSA-N 0 3 381.270 3.795 20 5 GHBDHN CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001355531345 1057197614 /nfs/dbraw/zinc/19/76/14/1057197614.db2.gz XWXDUBHUEVZCLX-HXUWFJFHSA-N 0 3 399.466 3.790 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001440672285 1058572525 /nfs/dbraw/zinc/57/25/25/1058572525.db2.gz BEZHYCHRLVWISF-OKZBNKHCSA-N 0 3 385.489 3.713 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001440678270 1058578216 /nfs/dbraw/zinc/57/82/16/1058578216.db2.gz VTRDMBGCDHUKNH-QHAWAJNXSA-N 0 3 379.460 3.652 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001450686389 1060655210 /nfs/dbraw/zinc/65/52/10/1060655210.db2.gz CPLCZKSDFVWOMT-AWEZNQCLSA-N 0 3 383.782 3.559 20 5 GHBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001452644989 1060977692 /nfs/dbraw/zinc/97/76/92/1060977692.db2.gz KZAWODIPKRDGKM-NEPJUHHUSA-N 0 3 390.242 3.787 20 5 GHBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001455409722 1062132920 /nfs/dbraw/zinc/13/29/20/1062132920.db2.gz ALRATWJDYMHKAL-MOPGFXCFSA-N 0 3 380.448 3.647 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001456309154 1062606103 /nfs/dbraw/zinc/60/61/03/1062606103.db2.gz XOGOBNVZJNPOKQ-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001457541513 1063234518 /nfs/dbraw/zinc/23/45/18/1063234518.db2.gz BVIBUCDOCRLKDU-BHDDXSALSA-N 0 3 393.487 3.821 20 5 GHBDHN CC1(N2CCC2)CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC001458552059 1063887500 /nfs/dbraw/zinc/88/75/00/1063887500.db2.gz XKAJYYGRYKSZNJ-UHFFFAOYSA-N 0 3 379.460 3.890 20 5 GHBDHN CC(C)CN(Cc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001459375750 1064079830 /nfs/dbraw/zinc/07/98/30/1064079830.db2.gz DWXIRAPVHWAGAT-QGZVFWFLSA-N 0 3 376.428 3.632 20 5 GHBDHN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCCc2ccccc21 ZINC001459692288 1064173290 /nfs/dbraw/zinc/17/32/90/1064173290.db2.gz ZPHXPNWQGYSHEQ-UHFFFAOYSA-N 0 3 379.460 3.929 20 5 GHBDHN Cc1cccc(C)c1OC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC001459872692 1064251536 /nfs/dbraw/zinc/25/15/36/1064251536.db2.gz VUFVRHTWELPQIJ-LJQANCHMSA-N 0 3 399.491 3.894 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)o1 ZINC001460035932 1064363611 /nfs/dbraw/zinc/36/36/11/1064363611.db2.gz BGGYKAMKVFXJEO-LESCRADOSA-N 0 3 386.452 3.550 20 5 GHBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCCC2 ZINC001460064773 1064390512 /nfs/dbraw/zinc/39/05/12/1064390512.db2.gz KQNKELFFAKHMTK-IRXDYDNUSA-N 0 3 395.887 3.904 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001464092002 1064815326 /nfs/dbraw/zinc/81/53/26/1064815326.db2.gz BWBFZYVHDOZONI-SFTDATJTSA-N 0 3 395.503 3.944 20 5 GHBDHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001465485838 1065656179 /nfs/dbraw/zinc/65/61/79/1065656179.db2.gz ARWUKLHRZLJFTH-ZPMCFJSWSA-N 0 3 393.487 3.821 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001470712360 1072699060 /nfs/dbraw/zinc/69/90/60/1072699060.db2.gz CFMUHBYEJAMGOB-SFTDATJTSA-N 0 3 395.503 3.863 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001473451050 1073968972 /nfs/dbraw/zinc/96/89/72/1073968972.db2.gz CQLLSOGOPAIXMB-HBUWYVDXSA-N 0 3 393.484 3.727 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC001473530198 1074004844 /nfs/dbraw/zinc/00/48/44/1074004844.db2.gz HEPNIODAIPZDLT-WIYYLYMNSA-N 0 3 382.460 3.952 20 5 GHBDHN CCOc1cc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001473581802 1074029654 /nfs/dbraw/zinc/02/96/54/1074029654.db2.gz FFZBMXWMYYDSPR-CTNGQTDRSA-N 0 3 384.476 3.952 20 5 GHBDHN COc1ccc(OCCN2CCC[C@@H](Cc3nc(C)cs3)C2)c([N+](=O)[O-])c1 ZINC001473804115 1074151546 /nfs/dbraw/zinc/15/15/46/1074151546.db2.gz AICHWTACAYPAGZ-HNNXBMFYSA-N 0 3 391.493 3.702 20 5 GHBDHN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824547588 607816874 /nfs/dbraw/zinc/81/68/74/607816874.db2.gz QEDGXWXMMCEAFH-GMBSWORKSA-N 0 3 392.463 3.837 20 5 GHBDHN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824547588 607816875 /nfs/dbraw/zinc/81/68/75/607816875.db2.gz QEDGXWXMMCEAFH-GMBSWORKSA-N 0 3 392.463 3.837 20 5 GHBDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180650908 837422944 /nfs/dbraw/zinc/42/29/44/837422944.db2.gz VZGQRWRXGPGTLQ-YWZLYKJASA-N 0 3 396.447 3.534 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000176578894 837448939 /nfs/dbraw/zinc/44/89/39/837448939.db2.gz SKVSYZHGHSAXPN-HNNXBMFYSA-N 0 3 390.509 3.799 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000176734088 837741997 /nfs/dbraw/zinc/74/19/97/837741997.db2.gz MXPFBOBOYOTZKL-MRXNPFEDSA-N 0 3 388.468 3.639 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000562887413 834746058 /nfs/dbraw/zinc/74/60/58/834746058.db2.gz VOXWTNYRIDRBEO-UGSOOPFHSA-N 0 3 391.468 3.634 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H]3CCN(CC(F)(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000102425652 835370920 /nfs/dbraw/zinc/37/09/20/835370920.db2.gz UZYLDJWMWQWFMP-LBPRGKRZSA-N 0 3 399.369 3.590 20 5 GHBDHN CC[C@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000584011266 835426758 /nfs/dbraw/zinc/42/67/58/835426758.db2.gz HJSHBLVLKFKFLP-GWCFXTLKSA-N 0 3 383.246 3.887 20 5 GHBDHN O=[N+]([O-])c1cc(CN[C@@H](CN2CCCCC2)c2ccccc2)c2c(c1)COCO2 ZINC000609041963 835767915 /nfs/dbraw/zinc/76/79/15/835767915.db2.gz IGPQXKQIIVBXRI-NRFANRHFSA-N 0 3 397.475 3.778 20 5 GHBDHN CCCCNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000512541287 844103620 /nfs/dbraw/zinc/10/36/20/844103620.db2.gz DZIOUEJGFCYERM-INIZCTEOSA-N 0 3 385.464 3.983 20 5 GHBDHN CC[C@]1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])OCCc2ccccc21 ZINC000584380231 835947843 /nfs/dbraw/zinc/94/78/43/835947843.db2.gz QYGODXMNRKDMDY-OAQYLSRUSA-N 0 3 386.448 3.580 20 5 GHBDHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065860472 836026551 /nfs/dbraw/zinc/02/65/51/836026551.db2.gz IJMOZNXQYHXPPQ-KRWDZBQOSA-N 0 3 383.423 3.535 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000411399049 836152153 /nfs/dbraw/zinc/15/21/53/836152153.db2.gz DXTQJUYVMBIUQX-IPMKNSEASA-N 0 3 387.505 3.959 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510951224 844239163 /nfs/dbraw/zinc/23/91/63/844239163.db2.gz KYVKJGVDKBCYDH-ZIAGYGMSSA-N 0 3 387.402 3.745 20 5 GHBDHN Cc1cc(F)ccc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000547833268 837194278 /nfs/dbraw/zinc/19/42/78/837194278.db2.gz HEOYFBIOMWPHHY-UHFFFAOYSA-N 0 3 383.427 3.631 20 5 GHBDHN CN(CCOCc1ccccc1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000180590981 837373089 /nfs/dbraw/zinc/37/30/89/837373089.db2.gz ABOXQRVXIYODAP-UHFFFAOYSA-N 0 3 380.448 3.644 20 5 GHBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000101604370 837969854 /nfs/dbraw/zinc/96/98/54/837969854.db2.gz QXZCRJMXZLZDFO-UHFFFAOYSA-N 0 3 382.464 3.767 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(OC(C)(C)C)nc1 ZINC000181349780 837981286 /nfs/dbraw/zinc/98/12/86/837981286.db2.gz CVGNKKNBMQADQB-AWEZNQCLSA-N 0 3 386.452 3.674 20 5 GHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)CC1(CO)CC1 ZINC000188951054 838001848 /nfs/dbraw/zinc/00/18/48/838001848.db2.gz MXOOUOYVGYSHQC-UHFFFAOYSA-N 0 3 395.253 3.822 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000412335099 838740646 /nfs/dbraw/zinc/74/06/46/838740646.db2.gz HPFDSMMLDBVYFW-QGZVFWFLSA-N 0 3 389.427 3.554 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Cc1ccccc1 ZINC000549423386 838952328 /nfs/dbraw/zinc/95/23/28/838952328.db2.gz UIUUCXJZNONWMH-HNNXBMFYSA-N 0 3 395.381 3.516 20 5 GHBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCN1C ZINC000275822225 839244817 /nfs/dbraw/zinc/24/48/17/839244817.db2.gz SJSOTFFGIRRAES-IUODEOHRSA-N 0 3 399.441 3.927 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001167378797 839260243 /nfs/dbraw/zinc/26/02/43/839260243.db2.gz FGJZEAHXPUHGIK-INIZCTEOSA-N 0 3 379.526 3.803 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000583637142 839648514 /nfs/dbraw/zinc/64/85/14/839648514.db2.gz CBHIJBDYHQZPEM-FQEVSTJZSA-N 0 3 383.448 3.560 20 5 GHBDHN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1O ZINC000190066083 839724801 /nfs/dbraw/zinc/72/48/01/839724801.db2.gz VDXMYSWPJWDOTQ-ZBEGNZNMSA-N 0 3 395.253 3.820 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cccc(Cl)c1 ZINC000584255455 839948568 /nfs/dbraw/zinc/94/85/68/839948568.db2.gz KFDIWGXAYFLBIF-KRWDZBQOSA-N 0 3 391.855 3.863 20 5 GHBDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610458535 840109202 /nfs/dbraw/zinc/10/92/02/840109202.db2.gz NNXNDZKQOCQVTB-QZTJIDSGSA-N 0 3 396.491 3.962 20 5 GHBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000408099031 840216333 /nfs/dbraw/zinc/21/63/33/840216333.db2.gz JAONNWXRYCOJOC-XQQFMLRXSA-N 0 3 383.290 3.594 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1cccc(F)c1 ZINC000053718381 840355408 /nfs/dbraw/zinc/35/54/08/840355408.db2.gz VMOZPFJHDOLSTJ-SFHVURJKSA-N 0 3 387.411 3.908 20 5 GHBDHN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000431990199 840497925 /nfs/dbraw/zinc/49/79/25/840497925.db2.gz DYQQOBKLPHIXDG-MRXNPFEDSA-N 0 3 384.480 3.650 20 5 GHBDHN CCNC(=O)COc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417309069 840706582 /nfs/dbraw/zinc/70/65/82/840706582.db2.gz DGKYTTLPIXZMGV-NRFANRHFSA-N 0 3 397.475 3.667 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1N1CCOCC1)CCCC2 ZINC000417342948 840752880 /nfs/dbraw/zinc/75/28/80/840752880.db2.gz PSFACVAGFGRTTD-OAQYLSRUSA-N 0 3 381.476 3.989 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H](C)c2ccc(-n3ccnn3)cc2)cc1[N+](=O)[O-] ZINC000181746490 841320775 /nfs/dbraw/zinc/32/07/75/841320775.db2.gz CBXXSNCLUJYVNU-CABCVRRESA-N 0 3 381.436 3.986 20 5 GHBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451568 841358576 /nfs/dbraw/zinc/35/85/76/841358576.db2.gz USYHYEXGNZFPTI-MSOLQXFVSA-N 0 3 396.491 3.518 20 5 GHBDHN O=C(CS[C@@H]1CCCN(Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000581428966 841385029 /nfs/dbraw/zinc/38/50/29/841385029.db2.gz NCWUJLVSLKEFDE-QGZVFWFLSA-N 0 3 385.489 3.931 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500148217 841518285 /nfs/dbraw/zinc/51/82/85/841518285.db2.gz JZXMXTNVPLDBAH-LPHOPBHVSA-N 0 3 381.476 3.509 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N(C)C)cc1 ZINC000512075189 842417632 /nfs/dbraw/zinc/41/76/32/842417632.db2.gz IMSUMSVOCNLRGB-IBGZPJMESA-N 0 3 380.448 3.671 20 5 GHBDHN O=c1ccccn1C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000500486108 843522272 /nfs/dbraw/zinc/52/22/72/843522272.db2.gz SLQFHZLLTUUBHW-GPVYEGESSA-N 0 3 375.428 3.801 20 5 GHBDHN COC[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000433195536 843810933 /nfs/dbraw/zinc/81/09/33/843810933.db2.gz WFJOQZQRZOPAIP-RXVVDRJESA-N 0 3 385.464 3.646 20 5 GHBDHN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000614160812 844794992 /nfs/dbraw/zinc/79/49/92/844794992.db2.gz HTUMBEATWIWGNB-LIRRHRJNSA-N 0 3 399.447 3.824 20 5 GHBDHN CCNC(=O)COc1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433158169 845543356 /nfs/dbraw/zinc/54/33/56/845543356.db2.gz OYEFOHFNAKNMOW-FQEVSTJZSA-N 0 3 397.475 3.622 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@H]3CCCC(=O)N3)cc2[N+](=O)[O-])cc1 ZINC000433172032 845579958 /nfs/dbraw/zinc/57/99/58/845579958.db2.gz CYXBLZNGGGTVEU-MRXNPFEDSA-N 0 3 385.489 3.813 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000071838569 845586520 /nfs/dbraw/zinc/58/65/20/845586520.db2.gz AMBHGEGEQFITIU-UHFFFAOYSA-N 0 3 377.828 3.578 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000934194493 845742510 /nfs/dbraw/zinc/74/25/10/845742510.db2.gz GCSRWRWRNJQYES-FCHUYYIVSA-N 0 3 393.487 3.821 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC[C@H](n4cccn4)C3)o2)c([N+](=O)[O-])c1 ZINC000092967762 846450726 /nfs/dbraw/zinc/45/07/26/846450726.db2.gz ZUZGRDODNIFZGQ-HNNXBMFYSA-N 0 3 382.420 3.897 20 5 GHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000604084972 861740271 /nfs/dbraw/zinc/74/02/71/861740271.db2.gz POCKXZQYSGZBIU-GOSISDBHSA-N 0 3 378.432 3.643 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000501637050 847069374 /nfs/dbraw/zinc/06/93/74/847069374.db2.gz JEKSYLDPUYHGIL-HXUWFJFHSA-N 0 3 381.476 3.716 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000057005346 861863398 /nfs/dbraw/zinc/86/33/98/861863398.db2.gz OWFGSJBRGHAXDO-KRWDZBQOSA-N 0 3 376.482 3.539 20 5 GHBDHN CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000178686019 848533975 /nfs/dbraw/zinc/53/39/75/848533975.db2.gz YDQGVNQYEHDAPF-KGLIPLIRSA-N 0 3 377.466 3.768 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])c1ccsc1 ZINC000176751350 848549823 /nfs/dbraw/zinc/54/98/23/848549823.db2.gz ZHQLLVHIBZCXEB-MRXNPFEDSA-N 0 3 379.457 3.917 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000601620137 861930476 /nfs/dbraw/zinc/93/04/76/861930476.db2.gz HCBAZJFNMMEZGI-UHFFFAOYSA-N 0 3 375.450 3.639 20 5 GHBDHN CC(C)(C)Oc1cc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000487076523 850427686 /nfs/dbraw/zinc/42/76/86/850427686.db2.gz SFYGSOGIRPCLLZ-OALUTQOASA-N 0 3 399.491 3.819 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)NCc1ccccc1 ZINC000504906584 850438468 /nfs/dbraw/zinc/43/84/68/850438468.db2.gz ZYBXVBGXEQEURH-WBVHZDCISA-N 0 3 387.505 3.760 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000487555565 850706198 /nfs/dbraw/zinc/70/61/98/850706198.db2.gz HWGBXCVIAKSSTF-UHFFFAOYSA-N 0 3 380.448 3.589 20 5 GHBDHN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000430097547 851568061 /nfs/dbraw/zinc/56/80/61/851568061.db2.gz UUFOZDHANWNRRU-QUCCMNQESA-N 0 3 390.480 3.508 20 5 GHBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@H](OCC)C1(C)C ZINC000303818843 851685348 /nfs/dbraw/zinc/68/53/48/851685348.db2.gz JREBVTJWMZDNQL-ROUUACIJSA-N 0 3 378.469 3.877 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1 ZINC000517396568 851919073 /nfs/dbraw/zinc/91/90/73/851919073.db2.gz JINMFDYQVWMGQF-HXUWFJFHSA-N 0 3 399.491 3.880 20 5 GHBDHN CSc1ccc(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000425632227 852362972 /nfs/dbraw/zinc/36/29/72/852362972.db2.gz UEEGPTBDFKZZKP-INIZCTEOSA-N 0 3 385.489 3.840 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000489578637 852449805 /nfs/dbraw/zinc/44/98/05/852449805.db2.gz BJYRCRBLKOUPEN-SJLPKXTDSA-N 0 3 396.491 3.792 20 5 GHBDHN CC[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2ccccc2C1 ZINC000518025734 852748476 /nfs/dbraw/zinc/74/84/76/852748476.db2.gz YAYUFJPDJRPUNB-QGZVFWFLSA-N 0 3 392.459 3.643 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000054698825 853060888 /nfs/dbraw/zinc/06/08/88/853060888.db2.gz ZDFITTIDRHQEMD-FCEWJHQRSA-N 0 3 382.464 3.791 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000507623223 853098119 /nfs/dbraw/zinc/09/81/19/853098119.db2.gz YBBUXIMSXADMGL-DNVCBOLYSA-N 0 3 394.475 3.734 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054719901 853507547 /nfs/dbraw/zinc/50/75/47/853507547.db2.gz WMJTYTRQAUNHTI-LPHOPBHVSA-N 0 3 382.464 3.572 20 5 GHBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760657024 853659681 /nfs/dbraw/zinc/65/96/81/853659681.db2.gz OQORMTRRBJLFEK-QGZVFWFLSA-N 0 3 387.867 3.985 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171584893 862491906 /nfs/dbraw/zinc/49/19/06/862491906.db2.gz CPYHACSHSBFMPX-OAHLLOKOSA-N 0 3 393.484 3.599 20 5 GHBDHN Cc1c(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000571293754 853831600 /nfs/dbraw/zinc/83/16/00/853831600.db2.gz JKFNCXMPOSDPAJ-DYESRHJHSA-N 0 3 382.464 3.792 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000571429503 853877348 /nfs/dbraw/zinc/87/73/48/853877348.db2.gz GJNMGGZLDSSXBE-IIDMSEBBSA-N 0 3 391.537 3.899 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)c1 ZINC000894982693 854317720 /nfs/dbraw/zinc/31/77/20/854317720.db2.gz GRKONGZEQPNKCL-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000458884564 854414435 /nfs/dbraw/zinc/41/44/35/854414435.db2.gz DJNAFSZDNOYLQF-UGSOOPFHSA-N 0 3 390.871 3.911 20 5 GHBDHN CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000499396495 855108712 /nfs/dbraw/zinc/10/87/12/855108712.db2.gz GNABJIBJLCYDHL-FQEVSTJZSA-N 0 3 397.475 3.869 20 5 GHBDHN COc1ccc(NC(=O)CCN2C[C@@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000591026247 855746224 /nfs/dbraw/zinc/74/62/24/855746224.db2.gz ZPSJDYGGYVQOPR-NEPJUHHUSA-N 0 3 389.374 3.595 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000173061808 856710335 /nfs/dbraw/zinc/71/03/35/856710335.db2.gz LUISKABMEYGBOW-INIZCTEOSA-N 0 3 381.354 3.646 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592189243 856792646 /nfs/dbraw/zinc/79/26/46/856792646.db2.gz YYASNRGIYNQGDF-GHTZIAJQSA-N 0 3 380.444 3.728 20 5 GHBDHN Cc1ccc(Br)cc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000113353791 857442340 /nfs/dbraw/zinc/44/23/40/857442340.db2.gz CXOCWCUUMMBYBK-UHFFFAOYSA-N 0 3 392.253 3.784 20 5 GHBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000593871582 857752242 /nfs/dbraw/zinc/75/22/42/857752242.db2.gz LHUKCWOKQJGJLG-ROUUACIJSA-N 0 3 391.515 3.534 20 5 GHBDHN COc1cc(C[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c([N+](=O)[O-])cc1[O-] ZINC000486450101 857753348 /nfs/dbraw/zinc/75/33/48/857753348.db2.gz UDUHIVMWPOXVKZ-AWEZNQCLSA-N 0 3 381.432 3.746 20 5 GHBDHN COc1cccc(C2(C[NH2+]Cc3cc(OC)c([O-])cc3[N+](=O)[O-])CCCC2)c1 ZINC000521844305 858361193 /nfs/dbraw/zinc/36/11/93/858361193.db2.gz WZNKQKVCLFEHFS-UHFFFAOYSA-N 0 3 386.448 3.919 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc(OC2CC2)c1F ZINC000595067023 858369863 /nfs/dbraw/zinc/36/98/63/858369863.db2.gz DWVMHTIUMRJPTD-ZDUSSCGKSA-N 0 3 387.411 3.782 20 5 GHBDHN Cc1c(NC(=O)N(CCCc2ccccc2)CCN(C)C)cccc1[N+](=O)[O-] ZINC000066962743 858376328 /nfs/dbraw/zinc/37/63/28/858376328.db2.gz PTSFENIAZOASPC-UHFFFAOYSA-N 0 3 384.480 3.932 20 5 GHBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1 ZINC000466244859 858844230 /nfs/dbraw/zinc/84/42/30/858844230.db2.gz VZHGHWOFUDEUSH-AWEZNQCLSA-N 0 3 390.871 3.568 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328349 881365440 /nfs/dbraw/zinc/36/54/40/881365440.db2.gz JXXQPFGZGNWCPH-IIYDPXPESA-N 0 3 390.402 3.560 20 5 GHBDHN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487757312 881380488 /nfs/dbraw/zinc/38/04/88/881380488.db2.gz ZBELOZKZJCPMMC-OAHLLOKOSA-N 0 3 385.489 3.912 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000601620803 859382860 /nfs/dbraw/zinc/38/28/60/859382860.db2.gz LJPBEVVIMKUIFG-UHFFFAOYSA-N 0 3 387.436 3.705 20 5 GHBDHN CN(Cc1ccccc1)C[C@@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000611113227 859610795 /nfs/dbraw/zinc/61/07/95/859610795.db2.gz WKLRVNWHOSNASX-CQSZACIVSA-N 0 3 385.247 3.773 20 5 GHBDHN COc1cc(F)c([C@@H](C)NCCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000611395766 859736663 /nfs/dbraw/zinc/73/66/63/859736663.db2.gz LWFXJLSNXROMHJ-CYBMUJFWSA-N 0 3 378.400 3.871 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3nc(-c4ccccc4)ncc3C2)c(F)c1 ZINC000611497854 859785551 /nfs/dbraw/zinc/78/55/51/859785551.db2.gz OFTFOIPQVITIKU-KRWDZBQOSA-N 0 3 378.407 3.838 20 5 GHBDHN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000131310859 859835789 /nfs/dbraw/zinc/83/57/89/859835789.db2.gz ZAEVOZHNUUAMLX-MRXNPFEDSA-N 0 3 389.521 3.940 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC3)COCCO4)o2)c(Cl)c1 ZINC000895696574 859841811 /nfs/dbraw/zinc/84/18/11/859841811.db2.gz VVYDTVLJLNCVPW-UHFFFAOYSA-N 0 3 392.839 3.890 20 5 GHBDHN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NCc2c([N+](=O)[O-])ncn2C)cc1 ZINC000484658270 860233428 /nfs/dbraw/zinc/23/34/28/860233428.db2.gz XBRYILWDEOTRCF-HKUYNNGSSA-N 0 3 388.468 3.597 20 5 GHBDHN C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000555232088 860264639 /nfs/dbraw/zinc/26/46/39/860264639.db2.gz PJVRCUPIZVBHAT-KPZWWZAWSA-N 0 3 393.846 3.910 20 5 GHBDHN Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000025536289 860534603 /nfs/dbraw/zinc/53/46/03/860534603.db2.gz OCVQRJZMVDFUHX-NRFANRHFSA-N 0 3 381.476 3.716 20 5 GHBDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000129954001 860714473 /nfs/dbraw/zinc/71/44/73/860714473.db2.gz XSCHJIHDNXXCHC-GFCCVEGCSA-N 0 3 390.371 3.630 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474779501 860763880 /nfs/dbraw/zinc/76/38/80/860763880.db2.gz JAGYRNGQHTUEIN-IUODEOHRSA-N 0 3 391.269 4.000 20 5 GHBDHN CC[C@H](N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000532234536 881587958 /nfs/dbraw/zinc/58/79/58/881587958.db2.gz XCRLQDJZQBTZLV-VOQZNFBZSA-N 0 3 383.492 3.925 20 5 GHBDHN CC[C@H](N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000532234534 881588324 /nfs/dbraw/zinc/58/83/24/881588324.db2.gz XCRLQDJZQBTZLV-BULFRSBZSA-N 0 3 383.492 3.925 20 5 GHBDHN O=C(NC[C@H]1CCN1C1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599204147 860917695 /nfs/dbraw/zinc/91/76/95/860917695.db2.gz SSJJVSAGPYJXTM-FXAWDEMLSA-N 0 3 386.496 3.501 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)N(C)C)cc1 ZINC000603643023 860945305 /nfs/dbraw/zinc/94/53/05/860945305.db2.gz RMTHICYNZNJBKC-GOSISDBHSA-N 0 3 386.452 3.590 20 5 GHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000185633136 861096630 /nfs/dbraw/zinc/09/66/30/861096630.db2.gz YUNQGKADFRTNJA-LLVKDONJSA-N 0 3 386.374 3.700 20 5 GHBDHN Cc1c(Cl)cccc1N1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000792887610 881773975 /nfs/dbraw/zinc/77/39/75/881773975.db2.gz JAQZEWHCRWRJAI-HXUWFJFHSA-N 0 3 389.883 3.802 20 5 GHBDHN Cc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461720991 864630940 /nfs/dbraw/zinc/63/09/40/864630940.db2.gz VNHPWFJJGKOOKN-KRWDZBQOSA-N 0 3 388.434 3.606 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475288234 864719617 /nfs/dbraw/zinc/71/96/17/864719617.db2.gz XVPWWGJCXXSQHJ-YLJYHZDGSA-N 0 3 396.491 3.880 20 5 GHBDHN COc1cccc(NCCCCN2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000475352763 864832430 /nfs/dbraw/zinc/83/24/30/864832430.db2.gz IYIQRSJEFQSXEX-UHFFFAOYSA-N 0 3 384.480 3.618 20 5 GHBDHN O=[N+]([O-])c1cc2ccccc2nc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000480561282 864866830 /nfs/dbraw/zinc/86/68/30/864866830.db2.gz XWHSFXGXYGGHPP-UHFFFAOYSA-N 0 3 394.397 3.782 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000735991927 865098252 /nfs/dbraw/zinc/09/82/52/865098252.db2.gz IPRIVEJZXKDDDU-UHFFFAOYSA-N 0 3 388.855 3.642 20 5 GHBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3c[nH]c4ncccc34)C2)c2c(c1)COCO2 ZINC000829040905 865381890 /nfs/dbraw/zinc/38/18/90/865381890.db2.gz UDYQXPLTMKYCIQ-CQSZACIVSA-N 0 3 394.431 3.717 20 5 GHBDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183157329 866285003 /nfs/dbraw/zinc/28/50/03/866285003.db2.gz NNIKZXFBLPMVET-LSDHHAIUSA-N 0 3 393.447 3.767 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000456327632 866446886 /nfs/dbraw/zinc/44/68/86/866446886.db2.gz HSNXGVFDVPLNTE-INIZCTEOSA-N 0 3 392.459 3.670 20 5 GHBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000742391779 867256527 /nfs/dbraw/zinc/25/65/27/867256527.db2.gz RXBSJCKBAPMUBN-QGZVFWFLSA-N 0 3 396.447 3.628 20 5 GHBDHN C[C@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000920458207 882117048 /nfs/dbraw/zinc/11/70/48/882117048.db2.gz FBLQIBGYYJYTEQ-QGZVFWFLSA-N 0 3 396.491 3.811 20 5 GHBDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000195352868 882161182 /nfs/dbraw/zinc/16/11/82/882161182.db2.gz ZNLLBBQYUQTKOK-KRWDZBQOSA-N 0 3 396.491 3.616 20 5 GHBDHN C[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000121554971 868310932 /nfs/dbraw/zinc/31/09/32/868310932.db2.gz ITSZDBGXFSTMAZ-GOSISDBHSA-N 0 3 381.476 3.650 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000524201457 868696941 /nfs/dbraw/zinc/69/69/41/868696941.db2.gz NCMRWTGDFNGGHA-ZBFHGGJFSA-N 0 3 378.432 3.641 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000462414440 869395934 /nfs/dbraw/zinc/39/59/34/869395934.db2.gz LZUFOXUJQZDMEE-PMACEKPBSA-N 0 3 381.476 3.554 20 5 GHBDHN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000441071913 870176454 /nfs/dbraw/zinc/17/64/54/870176454.db2.gz VWQJSXISSAIIQY-JTSKRJEESA-N 0 3 376.460 3.870 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CNC2(CO)CCCCC2)cc1OC ZINC001192390589 870331095 /nfs/dbraw/zinc/33/10/95/870331095.db2.gz NGXIQPSENTXFMU-HNNXBMFYSA-N 0 3 380.485 3.813 20 5 GHBDHN COCC[C@@]1(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCOC1 ZINC000447079508 870954798 /nfs/dbraw/zinc/95/47/98/870954798.db2.gz WDCOXKJFGZJTDX-OAQYLSRUSA-N 0 3 385.464 3.648 20 5 GHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2coc(-c3cccc(Br)c3)n2)C1 ZINC001169001947 871087365 /nfs/dbraw/zinc/08/73/65/871087365.db2.gz IQHQVXLYKOUQHK-BXUZGUMPSA-N 0 3 380.242 3.639 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000463427904 871718730 /nfs/dbraw/zinc/71/87/30/871718730.db2.gz IJVWAORYZFBRQU-HNNXBMFYSA-N 0 3 395.381 3.516 20 5 GHBDHN Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(N2CCOCC2)c1 ZINC000447574210 871861567 /nfs/dbraw/zinc/86/15/67/871861567.db2.gz LWTPRCIODMTXRN-NRFANRHFSA-N 0 3 381.476 3.907 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000552058722 871949853 /nfs/dbraw/zinc/94/98/53/871949853.db2.gz XRPTVRBRTXCZOX-NLWGTHIKSA-N 0 3 397.475 3.783 20 5 GHBDHN C[C@H](CN1CCCCC1)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447691407 872129338 /nfs/dbraw/zinc/12/93/38/872129338.db2.gz RBQWKVPCSPSSKW-SNVBAGLBSA-N 0 3 382.333 3.930 20 5 GHBDHN C[C@H](NC[C@H](O)COc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000182404377 872307569 /nfs/dbraw/zinc/30/75/69/872307569.db2.gz HTDBOLNCODVTIY-WFASDCNBSA-N 0 3 384.354 3.704 20 5 GHBDHN CCc1csc(CC2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001195630496 872519168 /nfs/dbraw/zinc/51/91/68/872519168.db2.gz GAORBRYDTLLYSI-UHFFFAOYSA-N 0 3 375.494 3.947 20 5 GHBDHN CSc1ccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000193026888 872918008 /nfs/dbraw/zinc/91/80/08/872918008.db2.gz MEGZYSJTHNAGNG-UHFFFAOYSA-N 0 3 389.477 3.646 20 5 GHBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccco1 ZINC000174704902 874038164 /nfs/dbraw/zinc/03/81/64/874038164.db2.gz XRAOKDJANKOQFN-QGZVFWFLSA-N 0 3 388.424 3.639 20 5 GHBDHN Cc1sc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000129857720 874561941 /nfs/dbraw/zinc/56/19/41/874561941.db2.gz CHJGGBPBEBPIMC-WBMJQRKESA-N 0 3 379.507 3.839 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541942807 874568781 /nfs/dbraw/zinc/56/87/81/874568781.db2.gz KIFCVCLJVYMDQP-UHFFFAOYSA-N 0 3 395.362 3.519 20 5 GHBDHN O=[N+]([O-])c1ccc2c(ccnc2NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000450494189 876525719 /nfs/dbraw/zinc/52/57/19/876525719.db2.gz JSQBVTNWZWLMDV-UHFFFAOYSA-N 0 3 394.397 3.782 20 5 GHBDHN CCOc1cc(N(C)C2CCN(CCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000450947824 877108406 /nfs/dbraw/zinc/10/84/06/877108406.db2.gz CYPRVSDHCFBAMS-UHFFFAOYSA-N 0 3 375.391 3.847 20 5 GHBDHN COc1cc(Br)ccc1[C@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787346687 877365568 /nfs/dbraw/zinc/36/55/68/877365568.db2.gz WQGZUVNCYPPFOH-MEDUHNTESA-N 0 3 395.253 3.750 20 5 GHBDHN COc1cc(COC(=O)C2(C)CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000772712181 877799138 /nfs/dbraw/zinc/79/91/38/877799138.db2.gz VJGXEGVUQHPYNS-UHFFFAOYSA-N 0 3 398.459 3.949 20 5 GHBDHN Cc1c(-c2cc(CN3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)on2)cnn1C ZINC000451554485 878139458 /nfs/dbraw/zinc/13/94/58/878139458.db2.gz ZZJSPRDFQJJUON-INIZCTEOSA-N 0 3 381.436 3.671 20 5 GHBDHN CC(C)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000852732204 878563254 /nfs/dbraw/zinc/56/32/54/878563254.db2.gz RVEICXVHUFOSCQ-RTBURBONSA-N 0 3 391.855 3.535 20 5 GHBDHN CC(C)N1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000068799640 879057352 /nfs/dbraw/zinc/05/73/52/879057352.db2.gz SULFRCMAYWPAKK-UHFFFAOYSA-N 0 3 396.491 3.763 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2CCC[C@@]2(C)CO)cc1OC ZINC000493573857 879526879 /nfs/dbraw/zinc/52/68/79/879526879.db2.gz QWWXZZSUHJPDHY-KPOBHBOGSA-N 0 3 380.485 3.669 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494025231 879834641 /nfs/dbraw/zinc/83/46/41/879834641.db2.gz AIDWTXQYPULMCF-DYESRHJHSA-N 0 3 396.491 3.566 20 5 GHBDHN C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000790993988 880123590 /nfs/dbraw/zinc/12/35/90/880123590.db2.gz NFSHXLILWLPOKP-HXPMCKFVSA-N 0 3 393.846 3.737 20 5 GHBDHN CCNc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000791979989 880819858 /nfs/dbraw/zinc/81/98/58/880819858.db2.gz JHVLAKWZKHVHIU-PXNSSMCTSA-N 0 3 394.475 3.783 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000609441638 883193365 /nfs/dbraw/zinc/19/33/65/883193365.db2.gz UBNRSTLVHPECNA-IBGZPJMESA-N 0 3 389.427 3.555 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])N(C)C)cc1 ZINC000175085975 883252363 /nfs/dbraw/zinc/25/23/63/883252363.db2.gz RFZVBYADPOOECD-QGZVFWFLSA-N 0 3 375.856 3.843 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000609767311 883623354 /nfs/dbraw/zinc/62/33/54/883623354.db2.gz XDFJCQNQOWKORU-OAHLLOKOSA-N 0 3 385.395 3.521 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@@H](c2cccc(OC)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000212672558 884089251 /nfs/dbraw/zinc/08/92/51/884089251.db2.gz BIDSVZXCIPDZDU-XADARROHSA-N 0 3 399.447 3.504 20 5 GHBDHN C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1C ZINC000498480879 884546495 /nfs/dbraw/zinc/54/64/95/884546495.db2.gz KZCKYNGSVGKMSR-UONOGXRCSA-N 0 3 388.493 3.711 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000428548759 884563101 /nfs/dbraw/zinc/56/31/01/884563101.db2.gz PAVLUYJHWJQFBF-LPHOPBHVSA-N 0 3 396.365 3.591 20 5 GHBDHN CCOc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001130799029 885161585 /nfs/dbraw/zinc/16/15/85/885161585.db2.gz QSGXTKDYRGSBLR-NWDGAFQWSA-N 0 3 376.331 3.680 20 5 GHBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1ccn(Cc2ccccc2)n1)C1CC1 ZINC000556606302 885623622 /nfs/dbraw/zinc/62/36/22/885623622.db2.gz WHXJASKTTVRFQH-OAQYLSRUSA-N 0 3 376.460 3.951 20 5 GHBDHN C[C@]1(Cc2cccc(Cl)c2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593049810 885737811 /nfs/dbraw/zinc/73/78/11/885737811.db2.gz OUMCRJIKPRHIBC-LJQANCHMSA-N 0 3 375.856 3.507 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000794668598 887715528 /nfs/dbraw/zinc/71/55/28/887715528.db2.gz LYYZKYNBYKZBEN-BDTNDASRSA-N 0 3 378.428 3.693 20 5 GHBDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194061598 887995502 /nfs/dbraw/zinc/99/55/02/887995502.db2.gz CTIRWPVULDKFTL-KGLIPLIRSA-N 0 3 387.436 3.680 20 5 GHBDHN COc1ccc(NC(=O)CNC2(c3cccc(C)c3)CCCC2)c([N+](=O)[O-])c1 ZINC000532697652 888294372 /nfs/dbraw/zinc/29/43/72/888294372.db2.gz IXUNQELTXGHDEM-UHFFFAOYSA-N 0 3 383.448 3.909 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000454390074 888951037 /nfs/dbraw/zinc/95/10/37/888951037.db2.gz ZZSQJYFKMUTQDF-FRQCXROJSA-N 0 3 382.464 3.791 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454390060 888951110 /nfs/dbraw/zinc/95/11/10/888951110.db2.gz ZZSQJYFKMUTQDF-BXWFABGCSA-N 0 3 382.464 3.791 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454969200 890079046 /nfs/dbraw/zinc/07/90/46/890079046.db2.gz YVYLWAYHOVPWOB-TWOQFEAHSA-N 0 3 382.464 3.618 20 5 GHBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170682772 890828172 /nfs/dbraw/zinc/82/81/72/890828172.db2.gz SYOBOXGIBOQVQU-ZDUSSCGKSA-N 0 3 380.404 3.644 20 5 GHBDHN CC(COC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)[N+](=O)[O-] ZINC000813100230 891272406 /nfs/dbraw/zinc/27/24/06/891272406.db2.gz PJFCSPFGNHSAPP-LRDDRELGSA-N 0 3 394.221 3.778 20 5 GHBDHN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102317 891274302 /nfs/dbraw/zinc/27/43/02/891274302.db2.gz PPBDOWLHBBBCQN-CQSZACIVSA-N 0 3 382.416 3.985 20 5 GHBDHN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103234 891274573 /nfs/dbraw/zinc/27/45/73/891274573.db2.gz ZFNKOUVGYGBNNB-VIFPVBQESA-N 0 3 388.804 3.518 20 5 GHBDHN CC(COC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)[N+](=O)[O-] ZINC000813111327 891305179 /nfs/dbraw/zinc/30/51/79/891305179.db2.gz RFCYWKUPHIWOMO-MLGOLLRUSA-N 0 3 394.221 3.778 20 5 GHBDHN CC(COC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)[N+](=O)[O-] ZINC000813115803 891306783 /nfs/dbraw/zinc/30/67/83/891306783.db2.gz ZVZZBUFJBDXPOH-LLVKDONJSA-N 0 3 375.768 3.608 20 5 GHBDHN C[C@H]1CCN(C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000497569101 891910408 /nfs/dbraw/zinc/91/04/08/891910408.db2.gz DDBDNKFDISQSTM-HNNXBMFYSA-N 0 3 384.436 3.945 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498188727 893529136 /nfs/dbraw/zinc/52/91/36/893529136.db2.gz YAFOAUABWIYFDU-WBVHZDCISA-N 0 3 390.443 3.708 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CCOc4c(Cl)c(Cl)ccc43)C2)c1 ZINC000877475341 893633227 /nfs/dbraw/zinc/63/32/27/893633227.db2.gz PHOWOCRHDPWVKV-RPFQZYLTSA-N 0 3 383.235 3.915 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(N2CCCOC2=O)cc1 ZINC000815636031 894084847 /nfs/dbraw/zinc/08/48/47/894084847.db2.gz NVFAZDMLFLNTIK-KGLIPLIRSA-N 0 3 384.436 3.936 20 5 GHBDHN CC(C)c1nn(-c2ccccc2)cc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819154037 896408732 /nfs/dbraw/zinc/40/87/32/896408732.db2.gz FPVIVTVEBDBORB-HXUWFJFHSA-N 0 3 380.448 3.727 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000331929367 899271392 /nfs/dbraw/zinc/27/13/92/899271392.db2.gz DEQHHKJMZJKPFW-YJBOKZPZSA-N 0 3 391.537 3.899 20 5 GHBDHN COCOc1ccc(OC)cc1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820546 899827427 /nfs/dbraw/zinc/82/74/27/899827427.db2.gz HMMFXDURXZBJFY-QGZVFWFLSA-N 0 3 386.448 3.966 20 5 GHBDHN CSCC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)N(C)C ZINC000574193677 900813866 /nfs/dbraw/zinc/81/38/66/900813866.db2.gz OPGMDRSGMCEVGW-INIZCTEOSA-N 0 3 393.534 3.623 20 5 GHBDHN CC(=O)c1cc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)ccc1[N+](=O)[O-] ZINC000574227480 900824139 /nfs/dbraw/zinc/82/41/39/900824139.db2.gz UOENMWFSJOTBBT-JOCHJYFZSA-N 0 3 379.460 3.900 20 5 GHBDHN COc1ccc(/C=C\C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845873611 902475013 /nfs/dbraw/zinc/47/50/13/902475013.db2.gz VKVAMEIAFQFNQM-HUTBPZAOSA-N 0 3 389.379 3.806 20 5 GHBDHN CC([C@@H](OC(=O)c1cnn(CCC(F)(F)F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872981 902476947 /nfs/dbraw/zinc/47/69/47/902476947.db2.gz AZSLQLWUHYAQFR-IINYFYTJSA-N 0 3 389.305 3.538 20 5 GHBDHN CC1=NN(c2ccc(C(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])cc2)CC1 ZINC000845874995 902479440 /nfs/dbraw/zinc/47/94/40/902479440.db2.gz KLRXODFXHZDPGA-LIRRHRJNSA-N 0 3 385.395 3.975 20 5 GHBDHN CCc1nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000845878160 902482230 /nfs/dbraw/zinc/48/22/30/902482230.db2.gz RESJOGXIVJMRRV-SCLBCKFNSA-N 0 3 398.394 3.532 20 5 GHBDHN COc1cccc2[nH]cc(CC(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])c21 ZINC000845878765 902482361 /nfs/dbraw/zinc/48/23/61/902482361.db2.gz SQAHUGVNXPLCJK-ODXCJYRJSA-N 0 3 386.379 3.808 20 5 GHBDHN CO[C@H](C)c1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845878933 902483866 /nfs/dbraw/zinc/48/38/66/902483866.db2.gz UHUBCXQZGSIISD-MISXGVKJSA-N 0 3 382.413 3.861 20 5 GHBDHN CCOC(=O)Oc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845884383 902489787 /nfs/dbraw/zinc/48/97/87/902489787.db2.gz YQIJTMDHTBBBEM-YVEFUNNKSA-N 0 3 391.351 3.924 20 5 GHBDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000152791766 904300909 /nfs/dbraw/zinc/30/09/09/904300909.db2.gz JYFMUXGZYICHQT-LEWJYISDSA-N 0 3 393.483 3.698 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cnccc2C(F)(F)F)c1F ZINC001173175303 906251721 /nfs/dbraw/zinc/25/17/21/906251721.db2.gz MUALWSGGAJOATI-JTQLQIEISA-N 0 3 387.333 3.877 20 5 GHBDHN COC(=O)c1cccc(CN(C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173193480 906277280 /nfs/dbraw/zinc/27/72/80/906277280.db2.gz SNCVCWJZUCPLFN-CYBMUJFWSA-N 0 3 390.411 3.592 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1F ZINC001173193823 906277452 /nfs/dbraw/zinc/27/74/52/906277452.db2.gz QZCUYCGTHCLEAG-ZVZYQTTQSA-N 0 3 397.466 3.572 20 5 GHBDHN CCN(CCNC(=O)OC(C)(C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194145 906279838 /nfs/dbraw/zinc/27/98/38/906279838.db2.gz XYCKLWLCPRGXDP-ZDUSSCGKSA-N 0 3 399.463 3.520 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001173227094 906309243 /nfs/dbraw/zinc/30/92/43/906309243.db2.gz NYUWMWMFBCGRNB-CQSZACIVSA-N 0 3 375.469 3.515 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173228990 906312698 /nfs/dbraw/zinc/31/26/98/906312698.db2.gz PCNJYFGPLFDMJU-NVXWUHKLSA-N 0 3 377.485 3.905 20 5 GHBDHN COc1cc(CN[C@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190949879 906467985 /nfs/dbraw/zinc/46/79/85/906467985.db2.gz HYTGVUFXTIOJCQ-ROUUACIJSA-N 0 3 386.448 3.840 20 5 GHBDHN CCC(=O)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000795210606 909340117 /nfs/dbraw/zinc/34/01/17/909340117.db2.gz RWANVALXCPOUNU-KDURUIRLSA-N 0 3 379.460 3.756 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001182822602 912068328 /nfs/dbraw/zinc/06/83/28/912068328.db2.gz IGTLWPUWRCTLGS-UHFFFAOYSA-N 0 3 389.883 3.885 20 5 GHBDHN O=C1CCCN1[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093278074 912151418 /nfs/dbraw/zinc/15/14/18/912151418.db2.gz RAXGMDSHPBAAHR-HNNXBMFYSA-N 0 3 385.489 3.910 20 5 GHBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000775393584 917382860 /nfs/dbraw/zinc/38/28/60/917382860.db2.gz GARWPUQJZQTEBL-HWPZZCPQSA-N 0 3 383.217 3.881 20 5 GHBDHN COc1cc([C@@H](C)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000903167263 922825726 /nfs/dbraw/zinc/82/57/26/922825726.db2.gz WNBLIHFXISUVIW-RHSMWYFYSA-N 0 3 384.436 3.560 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000409745425 924949634 /nfs/dbraw/zinc/94/96/34/924949634.db2.gz HFLBAGNQGDMKQK-UHFFFAOYSA-N 0 3 394.475 3.713 20 5 GHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000410055323 925279706 /nfs/dbraw/zinc/27/97/06/925279706.db2.gz VWMYWBVWFWXFFB-FQEVSTJZSA-N 0 3 399.466 3.937 20 5 GHBDHN CC(C)Oc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000411263834 926256223 /nfs/dbraw/zinc/25/62/23/926256223.db2.gz FRSRWPGONLGSDV-UHFFFAOYSA-N 0 3 385.464 3.586 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000411655271 926598084 /nfs/dbraw/zinc/59/80/84/926598084.db2.gz JONFLTXCXDDTEC-INIZCTEOSA-N 0 3 377.828 3.554 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000544069877 928763846 /nfs/dbraw/zinc/76/38/46/928763846.db2.gz VEHQUOBAWYHNIE-KRWDZBQOSA-N 0 3 376.840 3.653 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467719682 929336850 /nfs/dbraw/zinc/33/68/50/929336850.db2.gz DSJYOROQZFTJPW-AUUYWEPGSA-N 0 3 380.448 3.551 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000469424392 929873586 /nfs/dbraw/zinc/87/35/86/929873586.db2.gz MZOGMQYKPHTVON-FQEVSTJZSA-N 0 3 398.507 3.893 20 5 GHBDHN CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546183708 929936457 /nfs/dbraw/zinc/93/64/57/929936457.db2.gz AUYHWKBJOHSPRG-NRFANRHFSA-N 0 3 381.476 3.650 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000470175034 930432230 /nfs/dbraw/zinc/43/22/30/930432230.db2.gz OLBITRAXNKDLET-NBVRZTHBSA-N 0 3 385.508 3.969 20 5 GHBDHN O=C(CCN1CCCO[C@@H](c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782488927 931240507 /nfs/dbraw/zinc/24/05/07/931240507.db2.gz KIVNCVYIDRLVRB-LJQANCHMSA-N 0 3 387.411 3.526 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000797083882 932175997 /nfs/dbraw/zinc/17/59/97/932175997.db2.gz KAJWNMKQUYQHDO-IEBWSBKVSA-N 0 3 395.459 3.507 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CC[C@@H](O)c1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000828817005 935719618 /nfs/dbraw/zinc/71/96/18/935719618.db2.gz JIYRSTBAOQGRSI-KCZVDYSFSA-N 0 3 384.476 3.824 20 5 GHBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000558396100 1017191668 /nfs/dbraw/zinc/19/16/68/1017191668.db2.gz DKMMRKGQUFGRKO-JKSUJKDBSA-N 0 3 381.860 3.514 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000558884010 1017308927 /nfs/dbraw/zinc/30/89/27/1017308927.db2.gz ZXIDIXHHUSUACQ-OAQYLSRUSA-N 0 3 396.491 3.616 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C2CCOCC2)C1 ZINC000933080871 1018838331 /nfs/dbraw/zinc/83/83/31/1018838331.db2.gz FPACOVINIBMXCC-RHSMWYFYSA-N 0 3 386.452 3.844 20 5 GHBDHN C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000564415242 1019071550 /nfs/dbraw/zinc/07/15/50/1019071550.db2.gz QZQCUTJWKLAUTO-MGPUTAFESA-N 0 3 395.459 3.606 20 5 GHBDHN COc1ccc(CN2CCCC[C@H]2CN(C)c2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC001156293127 1032963192 /nfs/dbraw/zinc/96/31/92/1032963192.db2.gz WCPHTMXPOUTYLM-SFHVURJKSA-N 0 3 384.480 3.798 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000749074652 1021742106 /nfs/dbraw/zinc/74/21/06/1021742106.db2.gz RBGOIAGQVCMNFG-WIYYLYMNSA-N 0 3 379.460 3.589 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000754169115 1022519528 /nfs/dbraw/zinc/51/95/28/1022519528.db2.gz LGQGQHFUGQWFJY-QRKDJSQXSA-N 0 3 379.460 3.950 20 5 GHBDHN Cc1cc([C@@H](N)CC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000831063056 1024337915 /nfs/dbraw/zinc/33/79/15/1024337915.db2.gz RZGPKDMGFFNVLY-WFASDCNBSA-N 0 3 376.844 3.527 20 5 GHBDHN CC(=O)Nc1cc(O[C@@H](CCN(C)C)c2ccccc2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229127956 1033291107 /nfs/dbraw/zinc/29/11/07/1033291107.db2.gz HHHPHGSFPKIJNI-FQEVSTJZSA-N 0 3 399.447 3.828 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3CSCCN3Cc3ccccc3)nc2c1 ZINC001163037514 1026020997 /nfs/dbraw/zinc/02/09/97/1026020997.db2.gz UFGIAIPSJLGIBN-MRXNPFEDSA-N 0 3 383.477 3.501 20 5 GHBDHN O=C(CN[C@@H](c1ccccc1)[C@H]1CCOC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839541644 1026034740 /nfs/dbraw/zinc/03/47/40/1026034740.db2.gz XERJMPOPZKYHGT-LIRRHRJNSA-N 0 3 389.839 3.554 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN[C@H](c3ccc(O)cc3)C2)nc1-c1ccccc1 ZINC001164038496 1026392453 /nfs/dbraw/zinc/39/24/53/1026392453.db2.gz ONUZJUXQUVDSRP-SFHVURJKSA-N 0 3 376.416 3.513 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001461215887 1069446145 /nfs/dbraw/zinc/44/61/45/1069446145.db2.gz JGRYDROIONYOMQ-AWEZNQCLSA-N 0 3 381.473 3.586 20 5 GHBDHN c1cnc2c(c1)cc(-c1nc(-c3ccc4c(n3)CCNC4)no1)c1cccnc12 ZINC001217165808 1030208013 /nfs/dbraw/zinc/20/80/13/1030208013.db2.gz ZGIQTEFLXITWNP-UHFFFAOYSA-N 0 3 380.411 3.541 20 5 GHBDHN C[C@@H]([C@H](Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21)c1ccccc1)N1CCCC1 ZINC001229373069 1033443351 /nfs/dbraw/zinc/44/33/51/1033443351.db2.gz GJPZFGLBSHKWFV-LIRRHRJNSA-N 0 3 394.431 3.848 20 5 GHBDHN CN(CCN(C)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)Cc1ccccc1 ZINC001157553544 1033656794 /nfs/dbraw/zinc/65/67/94/1033656794.db2.gz ASUNYYXYJCCRSJ-UHFFFAOYSA-N 0 3 384.814 3.756 20 5 GHBDHN CC[C@@](CNCc1ccc([N+](=O)[O-])cc1Cl)(C(=O)OC)c1ccccc1 ZINC001206263647 1033778595 /nfs/dbraw/zinc/77/85/95/1033778595.db2.gz PZRMTHTZKUMUBP-IBGZPJMESA-N 0 3 376.840 3.859 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CCN2CC[C@H]2C1 ZINC001158432009 1034076971 /nfs/dbraw/zinc/07/69/71/1034076971.db2.gz UWXWFBJSOYQFEA-SFHVURJKSA-N 0 3 390.443 3.616 20 5 GHBDHN C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@H](C)CN1Cc1ccccc1 ZINC001158524134 1034127166 /nfs/dbraw/zinc/12/71/66/1034127166.db2.gz QNVGAGKOFSVOQU-HZPDHXFCSA-N 0 3 377.448 3.637 20 5 GHBDHN CN1CC(CNc2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])C1 ZINC001159222744 1034494027 /nfs/dbraw/zinc/49/40/27/1034494027.db2.gz RDZFPELCXKJSFI-UHFFFAOYSA-N 0 3 378.432 3.696 20 5 GHBDHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254368791 1040197263 /nfs/dbraw/zinc/19/72/63/1040197263.db2.gz IOEIEAIIBNPEEC-NRFANRHFSA-N 0 3 394.475 3.675 20 5 GHBDHN COc1c(F)ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1F ZINC001254466820 1040252113 /nfs/dbraw/zinc/25/21/13/1040252113.db2.gz ORQGFMALYPKWAT-UHFFFAOYSA-N 0 3 377.391 3.640 20 5 GHBDHN COc1cc(NC(=O)CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc2ccccc21 ZINC001254548083 1040316076 /nfs/dbraw/zinc/31/60/76/1040316076.db2.gz GIWVSFROYHWCNM-OAHLLOKOSA-N 0 3 393.443 3.916 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001254554194 1040323070 /nfs/dbraw/zinc/32/30/70/1040323070.db2.gz ANEVYFWBIUKZNW-YLJYHZDGSA-N 0 3 393.487 3.664 20 5 GHBDHN CC(C)N(C)Cc1cnc2n1CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254556444 1040325663 /nfs/dbraw/zinc/32/56/63/1040325663.db2.gz KZTISJQJFBTXLL-SJORKVTESA-N 0 3 385.512 3.639 20 5 GHBDHN COc1cc(N2CCC(N3CCc4cc(F)ccc4C3)CC2)ccc1[N+](=O)[O-] ZINC001256101666 1041529136 /nfs/dbraw/zinc/52/91/36/1041529136.db2.gz QPUVFTYXWSPRMG-UHFFFAOYSA-N 0 3 385.439 3.770 20 5 GHBDHN C[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1nc2ccccc2n1C(F)F ZINC001462690369 1070473787 /nfs/dbraw/zinc/47/37/87/1070473787.db2.gz OKEVQRMLDFFNRT-UNXYVOJBSA-N 0 3 376.367 3.590 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1Cl ZINC001294799872 1044797025 /nfs/dbraw/zinc/79/70/25/1044797025.db2.gz ABRDNMMDKUWEBZ-ZBFHGGJFSA-N 0 3 387.867 3.949 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC001297759853 1045615712 /nfs/dbraw/zinc/61/57/12/1045615712.db2.gz HOAPKAQDIFYMFF-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC001306838536 1048921620 /nfs/dbraw/zinc/92/16/20/1048921620.db2.gz FWUNXMHMNZZSNS-MAUKXSAKSA-N 0 3 385.464 3.855 20 5 GHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001307502235 1049343849 /nfs/dbraw/zinc/34/38/49/1049343849.db2.gz UMTXCSRXWAHWFQ-ZWKOTPCHSA-N 0 3 396.491 3.518 20 5 GHBDHN O=C(OC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC001307745894 1049557502 /nfs/dbraw/zinc/55/75/02/1049557502.db2.gz GCGKRMWBPLQZSU-IBGZPJMESA-N 0 3 375.469 3.614 20 5 GHBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001308079576 1049824280 /nfs/dbraw/zinc/82/42/80/1049824280.db2.gz MKBZOOBBYLYHKM-UONOGXRCSA-N 0 3 394.903 3.524 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC001329134377 1050730849 /nfs/dbraw/zinc/73/08/49/1050730849.db2.gz JXCDWLIDZKZWJB-RBBKRZOGSA-N 0 3 392.459 3.540 20 5 GHBDHN COCC[C@]1(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCOC1 ZINC001320869479 1055993857 /nfs/dbraw/zinc/99/38/57/1055993857.db2.gz MKQKYGXZIPYAKJ-SFHVURJKSA-N 0 3 380.828 3.793 20 5 GHBDHN C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCC[C@@H](C)C1 ZINC001441362153 1058766169 /nfs/dbraw/zinc/76/61/69/1058766169.db2.gz PXVWQMAWJMXHLT-ZJUUUORDSA-N 0 3 392.258 3.891 20 5 GHBDHN CCCN(CCN1CCCCCC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001436600692 1063559732 /nfs/dbraw/zinc/55/97/32/1063559732.db2.gz UMRIYPYSRWWEQY-UHFFFAOYSA-N 0 3 383.439 3.801 20 5 GHBDHN Cc1nn(Cc2ccccc2)c(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001200126982 1065285770 /nfs/dbraw/zinc/28/57/70/1065285770.db2.gz MIVURUOMFXKLSB-UHFFFAOYSA-N 0 3 380.448 3.625 20 5 GHBDHN CC(C)(C)OC(=O)c1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC001200127232 1065286564 /nfs/dbraw/zinc/28/65/64/1065286564.db2.gz PNZKPHJDNKSOOM-UHFFFAOYSA-N 0 3 378.450 3.780 20 5 GHBDHN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001358470430 1067536556 /nfs/dbraw/zinc/53/65/56/1067536556.db2.gz LFNMJQUQMCIMAR-LJQANCHMSA-N 0 3 396.491 3.520 20 5 GHBDHN CC[C@](CNCc1ccc(Cl)cc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC001474576765 1067716131 /nfs/dbraw/zinc/71/61/31/1067716131.db2.gz UJSOCZQAGLUUNU-LJQANCHMSA-N 0 3 376.840 3.859 20 5 GHBDHN Cc1cccc(C[C@]2(C)CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001460551686 1068994124 /nfs/dbraw/zinc/99/41/24/1068994124.db2.gz BLALOODDWWNSQS-QHCPKHFHSA-N 0 3 393.487 3.890 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC001472639000 1073589951 /nfs/dbraw/zinc/58/99/51/1073589951.db2.gz ZYTBHNLQMYXJDV-FQEVSTJZSA-N 0 3 399.447 3.639 20 5 GHBDHN C[C@](CO)(NCCOc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001473472389 1073981443 /nfs/dbraw/zinc/98/14/43/1073981443.db2.gz MXNUVULKRDSAOY-QGZVFWFLSA-N 0 3 385.247 3.778 20 5 GHBDHN CCC[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC=CCC1 ZINC001500035223 1079571754 /nfs/dbraw/zinc/57/17/54/1079571754.db2.gz MALUYTLJUYWDBO-KRWDZBQOSA-N 0 3 398.511 3.740 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000176578885 837449093 /nfs/dbraw/zinc/44/90/93/837449093.db2.gz SKVSYZHGHSAXPN-OAHLLOKOSA-N 0 3 390.509 3.799 20 5 GHBDHN CCOC(=O)c1ccnc(N[C@@H](CN2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000610279260 837715852 /nfs/dbraw/zinc/71/58/52/837715852.db2.gz NCSABQSOUZZLHO-SFHVURJKSA-N 0 3 398.463 3.806 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000176734103 837741670 /nfs/dbraw/zinc/74/16/70/837741670.db2.gz MXPFBOBOYOTZKL-INIZCTEOSA-N 0 3 388.468 3.639 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(c3ccccc3)CCCCC2)cc1 ZINC000544067334 834980719 /nfs/dbraw/zinc/98/07/19/834980719.db2.gz SIGNHYRZCUWMKB-UHFFFAOYSA-N 0 3 388.489 3.818 20 5 GHBDHN C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000511309464 835189264 /nfs/dbraw/zinc/18/92/64/835189264.db2.gz PEPYHMNLIGOHRC-MRXNPFEDSA-N 0 3 394.475 3.587 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)c1 ZINC000610223473 835254268 /nfs/dbraw/zinc/25/42/68/835254268.db2.gz LNLLBCJYXMKBHI-NRFANRHFSA-N 0 3 381.476 3.716 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2ccccc2C(C)(C)C1 ZINC000536180099 835350976 /nfs/dbraw/zinc/35/09/76/835350976.db2.gz MWRXJBXGCSXGFH-UHFFFAOYSA-N 0 3 383.448 3.725 20 5 GHBDHN COc1ccccc1[C@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612073315 835457149 /nfs/dbraw/zinc/45/71/49/835457149.db2.gz LAHJPRZCIRLNBZ-FUHWJXTLSA-N 0 3 386.448 3.570 20 5 GHBDHN C[C@@H](CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[S@](C)=O ZINC000133741203 835473362 /nfs/dbraw/zinc/47/33/62/835473362.db2.gz DYBCZTXDCZNGGE-WHDAMIPWSA-N 0 3 380.441 3.773 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c(Cl)c1 ZINC000584498312 836741063 /nfs/dbraw/zinc/74/10/63/836741063.db2.gz JPRCWSHTSIYZEW-KRWDZBQOSA-N 0 3 376.840 3.918 20 5 GHBDHN CC(C)C(=O)N1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180076807 837151784 /nfs/dbraw/zinc/15/17/84/837151784.db2.gz DSGZYEMLKLHQIL-OAQYLSRUSA-N 0 3 381.476 3.921 20 5 GHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)CCN2CCCC2)cc1 ZINC000103117709 838062664 /nfs/dbraw/zinc/06/26/64/838062664.db2.gz USLGQBASHVOLNM-UHFFFAOYSA-N 0 3 399.447 3.564 20 5 GHBDHN COc1cccc([C@H]2[C@@H](NCc3ccc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000549115563 838627326 /nfs/dbraw/zinc/62/73/26/838627326.db2.gz JKJKMIAUTRKVRZ-SFTDATJTSA-N 0 3 385.439 3.810 20 5 GHBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000175870792 838641647 /nfs/dbraw/zinc/64/16/47/838641647.db2.gz BSPJXEUXNYSORD-UHFFFAOYSA-N 0 3 382.873 3.905 20 5 GHBDHN CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC000275822398 839245557 /nfs/dbraw/zinc/24/55/57/839245557.db2.gz SMYDUQCGXWFYPG-YCRPNKLZSA-N 0 3 377.488 3.896 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610445958 839721043 /nfs/dbraw/zinc/72/10/43/839721043.db2.gz LRIKKBJCZOXYQM-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN CC1(C)C[C@H](NCc2cccc(N3CCOCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000579741735 839875438 /nfs/dbraw/zinc/87/54/38/839875438.db2.gz YUSMEHBZMPPCRM-NRFANRHFSA-N 0 3 381.476 3.944 20 5 GHBDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610458534 840109356 /nfs/dbraw/zinc/10/93/56/840109356.db2.gz NNXNDZKQOCQVTB-MSOLQXFVSA-N 0 3 396.491 3.962 20 5 GHBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000511664987 840493102 /nfs/dbraw/zinc/49/31/02/840493102.db2.gz QLQTVINVMKZEGT-NRFANRHFSA-N 0 3 392.459 3.741 20 5 GHBDHN O=C(NCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000417314753 840712160 /nfs/dbraw/zinc/71/21/60/840712160.db2.gz ZZJNBOBIIJAHAD-SFHVURJKSA-N 0 3 389.402 3.660 20 5 GHBDHN CC1CCN([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000160832382 840998336 /nfs/dbraw/zinc/99/83/36/840998336.db2.gz HMKKVFWRANVGNF-HXUWFJFHSA-N 0 3 385.439 3.937 20 5 GHBDHN Cc1cc(NCc2cccc(CN3CCOCC3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302133989 861214112 /nfs/dbraw/zinc/21/41/12/861214112.db2.gz CRPUWVOFVVFYFJ-UHFFFAOYSA-N 0 3 392.459 3.896 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)nc1OCc1ccccc1 ZINC000302184540 861233536 /nfs/dbraw/zinc/23/35/36/861233536.db2.gz SUDIUFFYQSEMET-UHFFFAOYSA-N 0 3 382.464 3.633 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000109189049 841813406 /nfs/dbraw/zinc/81/34/06/841813406.db2.gz OMLCUGVCANEJTB-UHFFFAOYSA-N 0 3 382.464 3.686 20 5 GHBDHN CN(C)CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000051469431 843164029 /nfs/dbraw/zinc/16/40/29/843164029.db2.gz KUJFUJJIHTZSGU-UHFFFAOYSA-N 0 3 388.493 3.665 20 5 GHBDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000471901311 843338509 /nfs/dbraw/zinc/33/85/09/843338509.db2.gz SEXXDRBOEJLMHH-UHFFFAOYSA-N 0 3 391.418 3.639 20 5 GHBDHN O=C(NCc1ccccc1)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513216909 845074429 /nfs/dbraw/zinc/07/44/29/845074429.db2.gz BUTIRKUVKIYERS-JOCHJYFZSA-N 0 3 389.455 3.785 20 5 GHBDHN CC1(C)C[C@H](NCCNC(=O)c2ccccc2Cl)c2cc([N+](=O)[O-])ccc21 ZINC000433112793 845348596 /nfs/dbraw/zinc/34/85/96/845348596.db2.gz AMHPPLAHHZJVOU-SFHVURJKSA-N 0 3 387.867 3.990 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006471 846204412 /nfs/dbraw/zinc/20/44/12/846204412.db2.gz ZWGBQVOSOFDFLB-NRFANRHFSA-N 0 3 397.475 3.563 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183202231 846533064 /nfs/dbraw/zinc/53/30/64/846533064.db2.gz APRNOPLYMIHAGI-UHFFFAOYSA-N 0 3 384.358 3.526 20 5 GHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413228735 846972942 /nfs/dbraw/zinc/97/29/42/846972942.db2.gz CBLRQROFHIICPD-BBRMVZONSA-N 0 3 395.385 3.533 20 5 GHBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3nc4cc(Cl)ccc4s3)CC2)n1 ZINC000478429486 847089334 /nfs/dbraw/zinc/08/93/34/847089334.db2.gz KEZLZWVRPYPBDH-UHFFFAOYSA-N 0 3 391.884 3.934 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000501842095 847239756 /nfs/dbraw/zinc/23/97/56/847239756.db2.gz KOCLUECYURLQDN-SFHVURJKSA-N 0 3 384.436 3.562 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000731678797 861807261 /nfs/dbraw/zinc/80/72/61/861807261.db2.gz MIIPBROWBDWZTR-UHFFFAOYSA-N 0 3 383.360 3.932 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000132091133 861901682 /nfs/dbraw/zinc/90/16/82/861901682.db2.gz XZORRPZPJHPSNZ-YVEFUNNKSA-N 0 3 377.441 3.608 20 5 GHBDHN CNC(=O)c1ccc(S[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000425282582 850105574 /nfs/dbraw/zinc/10/55/74/850105574.db2.gz NQCOKCALTWJFGK-QGZVFWFLSA-N 0 3 385.489 3.711 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000487085181 850437894 /nfs/dbraw/zinc/43/78/94/850437894.db2.gz HPNZNWRVDXPBEQ-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425012595 850863613 /nfs/dbraw/zinc/86/36/13/850863613.db2.gz PJNZQCCMEJQIPK-QFBILLFUSA-N 0 3 391.427 3.688 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425014138 850864712 /nfs/dbraw/zinc/86/47/12/850864712.db2.gz SJDMOUIIBBTKHK-GHTZIAJQSA-N 0 3 379.460 3.558 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488054090 851126215 /nfs/dbraw/zinc/12/62/15/851126215.db2.gz PRZKQLUSXBLWLX-WMZOPIPTSA-N 0 3 396.491 3.965 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCN2CCc3ccccc32)c1 ZINC000604532212 862283459 /nfs/dbraw/zinc/28/34/59/862283459.db2.gz KZHUCQZZXPFYMZ-UHFFFAOYSA-N 0 3 377.391 3.739 20 5 GHBDHN CSc1cccc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000425606583 852188622 /nfs/dbraw/zinc/18/86/22/852188622.db2.gz MPIYKYVPFRKTGN-OAHLLOKOSA-N 0 3 385.489 3.840 20 5 GHBDHN CCOc1ccc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490063507 852744224 /nfs/dbraw/zinc/74/42/24/852744224.db2.gz ZZPDVNVFMRNREU-UHFFFAOYSA-N 0 3 383.448 3.987 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CN1C1CC1 ZINC000490194469 852822155 /nfs/dbraw/zinc/82/21/55/852822155.db2.gz WECNNXBVNLOTJA-DOTOQJQBSA-N 0 3 394.475 3.562 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000509585976 853015702 /nfs/dbraw/zinc/01/57/02/853015702.db2.gz OLRCZPXOBXOHJV-WMLDXEAASA-N 0 3 388.468 3.852 20 5 GHBDHN C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000518395401 853282541 /nfs/dbraw/zinc/28/25/41/853282541.db2.gz HKLVVHRQWLKLGL-GOSISDBHSA-N 0 3 395.503 3.597 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000473985300 855098616 /nfs/dbraw/zinc/09/86/16/855098616.db2.gz DTILCACUMNCFLP-HNNXBMFYSA-N 0 3 398.459 3.876 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153601398 855287275 /nfs/dbraw/zinc/28/72/75/855287275.db2.gz ZNUYUAJYKYKIHO-BLLLJJGKSA-N 0 3 384.354 3.704 20 5 GHBDHN CC(C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCCC1 ZINC000427598652 855699929 /nfs/dbraw/zinc/69/99/29/855699929.db2.gz HDKZMFFJNDVZTP-INIZCTEOSA-N 0 3 387.402 3.740 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC000482127726 862739941 /nfs/dbraw/zinc/73/99/41/862739941.db2.gz PKMHGMNHVONVOL-JEBQAFNWSA-N 0 3 393.484 3.504 20 5 GHBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(CC)CC ZINC000482151933 862745918 /nfs/dbraw/zinc/74/59/18/862745918.db2.gz VBRCJFCPULAZAQ-HOTGVXAUSA-N 0 3 383.876 3.760 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000465806833 856086277 /nfs/dbraw/zinc/08/62/77/856086277.db2.gz HJIGSWQNTDRQPL-NRFANRHFSA-N 0 3 396.491 3.582 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000427832784 856782887 /nfs/dbraw/zinc/78/28/87/856782887.db2.gz UZOQMAKMQQDMSI-LPHOPBHVSA-N 0 3 397.475 3.901 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000485830307 857122029 /nfs/dbraw/zinc/12/20/29/857122029.db2.gz NQCDRHZKUASKNH-KRWDZBQOSA-N 0 3 397.447 3.676 20 5 GHBDHN CN(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000521289750 857830421 /nfs/dbraw/zinc/83/04/21/857830421.db2.gz MSMLLQQYUGSFQI-CYBMUJFWSA-N 0 3 377.857 3.968 20 5 GHBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000065936939 857888307 /nfs/dbraw/zinc/88/83/07/857888307.db2.gz GEIOCLNHEMCKKM-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CCCN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592830100 858296393 /nfs/dbraw/zinc/29/63/93/858296393.db2.gz BLKMIEMUDDLDHH-LJQANCHMSA-N 0 3 396.491 3.763 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3C[C@@H](N4CCOCC4)C34CCC4)o2)c1 ZINC000594990006 858359842 /nfs/dbraw/zinc/35/98/42/858359842.db2.gz LRVPOQNZRYUKOT-NHCUHLMSSA-N 0 3 397.475 3.588 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000595037605 858375890 /nfs/dbraw/zinc/37/58/90/858375890.db2.gz AEYBNWZKRRMQPW-YPMHNXCESA-N 0 3 398.381 3.523 20 5 GHBDHN COc1ccc(-c2cc(CN[C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)on2)cc1 ZINC000595077796 858412076 /nfs/dbraw/zinc/41/20/76/858412076.db2.gz XDMFYZZIBSQVKR-PKOBYXMFSA-N 0 3 397.435 3.728 20 5 GHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN([C@@H](C)CC)CC2)cc1OC ZINC001170316053 881346013 /nfs/dbraw/zinc/34/60/13/881346013.db2.gz UZKARXHTLKGPFQ-SJORKVTESA-N 0 3 393.528 3.944 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c1 ZINC000856535394 881347255 /nfs/dbraw/zinc/34/72/55/881347255.db2.gz XQCKCDIBTXZNDN-IBGZPJMESA-N 0 3 384.480 3.796 20 5 GHBDHN COCCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000160438475 858911439 /nfs/dbraw/zinc/91/14/39/858911439.db2.gz RLNIWAWCJOYGKR-UHFFFAOYSA-N 0 3 380.448 3.644 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2cccs2)C2CCCC2)cc1 ZINC000543599371 858920750 /nfs/dbraw/zinc/92/07/50/858920750.db2.gz VOSOKKVWIWQUGV-GOSISDBHSA-N 0 3 394.518 3.951 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000596835855 859116709 /nfs/dbraw/zinc/11/67/09/859116709.db2.gz AAZMWBJCSRUXIS-UHFFFAOYSA-N 0 3 397.479 3.640 20 5 GHBDHN C[S@@](=O)CCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000116918785 859221824 /nfs/dbraw/zinc/22/18/24/859221824.db2.gz BTMIIPCAYFQBND-VWLOTQADSA-N 0 3 382.869 3.899 20 5 GHBDHN COc1ccc(CN(C)CC2=CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597206322 859345855 /nfs/dbraw/zinc/34/58/55/859345855.db2.gz NGTDUIOTIDUQQK-UHFFFAOYSA-N 0 3 398.459 3.961 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(COC4)C3)o2)c(Br)c1 ZINC000597228886 859363157 /nfs/dbraw/zinc/36/31/57/859363157.db2.gz HXMQRLGHTXXVIM-UHFFFAOYSA-N 0 3 393.237 3.840 20 5 GHBDHN CS(=O)(=O)CCCNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237300407 859426343 /nfs/dbraw/zinc/42/63/43/859426343.db2.gz SJJUANTXIWRAKP-UHFFFAOYSA-N 0 3 398.868 3.565 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000552058721 859679286 /nfs/dbraw/zinc/67/92/86/859679286.db2.gz XRPTVRBRTXCZOX-CMKODMSKSA-N 0 3 397.475 3.783 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H]2CC(C)(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000474352663 859907510 /nfs/dbraw/zinc/90/75/10/859907510.db2.gz TYPHDDWPFOVSSV-QGZVFWFLSA-N 0 3 384.432 3.659 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CCN(CC(F)(F)F)CC1 ZINC000602534737 860103272 /nfs/dbraw/zinc/10/32/72/860103272.db2.gz QGZANARWYHXMKK-UHFFFAOYSA-N 0 3 385.308 3.730 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CCN(c2nccs2)CC1 ZINC000602647442 860179033 /nfs/dbraw/zinc/17/90/33/860179033.db2.gz JYQJYKLXXCIVRA-UHFFFAOYSA-N 0 3 386.399 3.829 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000532234522 881587873 /nfs/dbraw/zinc/58/78/73/881587873.db2.gz JWFOAKIYLNYMAP-NJNPRVFISA-N 0 3 383.492 3.843 20 5 GHBDHN CCCCN1CCCC[C@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480517590 864795890 /nfs/dbraw/zinc/79/58/90/864795890.db2.gz WWKBYEDUZYRFRP-KRWDZBQOSA-N 0 3 399.495 3.626 20 5 GHBDHN COc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])cc1F ZINC000480555386 864856177 /nfs/dbraw/zinc/85/61/77/864856177.db2.gz OQHXWZZVPDUCLP-UHFFFAOYSA-N 0 3 391.365 3.960 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 ZINC000063497827 864867410 /nfs/dbraw/zinc/86/74/10/864867410.db2.gz UFPWPYWVKCWWFE-OAHLLOKOSA-N 0 3 391.493 3.567 20 5 GHBDHN C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184915190 865043558 /nfs/dbraw/zinc/04/35/58/865043558.db2.gz YCHWPAFWDPXDCZ-QRWLVFNGSA-N 0 3 385.439 3.791 20 5 GHBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000184916232 865043713 /nfs/dbraw/zinc/04/37/13/865043713.db2.gz ANZPTTOTBWOKDZ-UHFFFAOYSA-N 0 3 377.510 3.701 20 5 GHBDHN COc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000609018398 865925079 /nfs/dbraw/zinc/92/50/79/865925079.db2.gz XMLAXNBIYCFXPU-GOSISDBHSA-N 0 3 383.448 3.560 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740882850 866073303 /nfs/dbraw/zinc/07/33/03/866073303.db2.gz LLYKJFDDSYYZOI-XWIAVFTESA-N 0 3 395.887 3.712 20 5 GHBDHN CCOc1cc(N2CCN(C[C@H](C)CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000475509864 866119744 /nfs/dbraw/zinc/11/97/44/866119744.db2.gz HDMHQJHGOGOFDC-QGZVFWFLSA-N 0 3 391.512 3.568 20 5 GHBDHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000534246176 866363800 /nfs/dbraw/zinc/36/38/00/866363800.db2.gz MKWHARATHXOTEP-KRWDZBQOSA-N 0 3 392.459 3.813 20 5 GHBDHN CCCN(C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553028436 866649202 /nfs/dbraw/zinc/64/92/02/866649202.db2.gz KQYGDNZUMCNPLA-KRWDZBQOSA-N 0 3 390.871 3.643 20 5 GHBDHN CC[C@@](C)(COc1ncccc1Cl)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444662658 867033464 /nfs/dbraw/zinc/03/34/64/867033464.db2.gz NNVHGBRNVPFDPY-SFHVURJKSA-N 0 3 389.843 3.857 20 5 GHBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCCC2 ZINC000429776079 867319871 /nfs/dbraw/zinc/31/98/71/867319871.db2.gz RFFVSWBTNQMFBJ-DLBZAZTESA-N 0 3 395.887 3.904 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000429789829 867335973 /nfs/dbraw/zinc/33/59/73/867335973.db2.gz QXTAJHLFPXOOOH-FHLIZLRMSA-N 0 3 375.469 3.639 20 5 GHBDHN C[C@@]1(O)C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000418107334 868009754 /nfs/dbraw/zinc/00/97/54/868009754.db2.gz DLFDGDLBLLLMCU-RSVKCKOMSA-N 0 3 381.226 3.620 20 5 GHBDHN C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000457448842 868319098 /nfs/dbraw/zinc/31/90/98/868319098.db2.gz FPXPITVPCDCQNB-YOEHRIQHSA-N 0 3 388.493 3.854 20 5 GHBDHN CN1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000535361674 868625116 /nfs/dbraw/zinc/62/51/16/868625116.db2.gz FYEYJQAECNGCIH-LEWJYISDSA-N 0 3 396.491 3.662 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 ZINC000539407555 869080483 /nfs/dbraw/zinc/08/04/83/869080483.db2.gz NDIZKXHXQBGXJI-UHFFFAOYSA-N 0 3 376.416 3.971 20 5 GHBDHN Cc1cccc2c1ncc(C)c2N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000462497859 869562831 /nfs/dbraw/zinc/56/28/31/869562831.db2.gz CYPWTBVOTWHVSB-UHFFFAOYSA-N 0 3 396.472 3.784 20 5 GHBDHN O=C(CCN[C@H](c1ccc(F)cc1F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC001192616509 870564542 /nfs/dbraw/zinc/56/45/42/870564542.db2.gz KVLVSTKKBYNBNC-IBGZPJMESA-N 0 3 375.375 3.943 20 5 GHBDHN CCOc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000618578635 871730352 /nfs/dbraw/zinc/73/03/52/871730352.db2.gz POWSQTHHRNOYTP-SQNIBIBYSA-N 0 3 386.452 3.787 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000539382974 871870315 /nfs/dbraw/zinc/87/03/15/871870315.db2.gz WPKGWYMUAFHQDN-INIZCTEOSA-N 0 3 391.493 3.868 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cc(Cl)cc3c2OCC3)n1 ZINC000447598599 871911809 /nfs/dbraw/zinc/91/18/09/871911809.db2.gz VXCFOQPRWAMOTF-CVEARBPZSA-N 0 3 376.844 3.653 20 5 GHBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000182197287 872019278 /nfs/dbraw/zinc/01/92/78/872019278.db2.gz SYHMVSAYMWQYOD-OAHLLOKOSA-N 0 3 384.457 3.873 20 5 GHBDHN COC(=O)c1cnc(NC[C@H](c2ccccc2)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000478294086 872788181 /nfs/dbraw/zinc/78/81/81/872788181.db2.gz RQEAUOXZGBSGIU-LJQANCHMSA-N 0 3 398.463 3.662 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000769512719 874119336 /nfs/dbraw/zinc/11/93/36/874119336.db2.gz RBEWALYBUXQAKM-HOCLYGCPSA-N 0 3 393.484 3.871 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)CCC2 ZINC000192621317 882822858 /nfs/dbraw/zinc/82/28/58/882822858.db2.gz TXUUHFYOYWYZPF-FCHUYYIVSA-N 0 3 381.476 3.635 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770007098 874398995 /nfs/dbraw/zinc/39/89/95/874398995.db2.gz OHUVNEVAIVHDRT-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770014913 874405098 /nfs/dbraw/zinc/40/50/98/874405098.db2.gz HSOPTMJXTMQJAB-UHFFFAOYSA-N 0 3 382.873 3.905 20 5 GHBDHN CCOc1ccc(OCCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464783389 874488542 /nfs/dbraw/zinc/48/85/42/874488542.db2.gz KEBPNUPNDBVCSE-UHFFFAOYSA-N 0 3 386.448 3.916 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)/C=C(/C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000770144127 874496332 /nfs/dbraw/zinc/49/63/32/874496332.db2.gz RGLCPHWGXKKYQV-ICFOKQHNSA-N 0 3 394.475 3.779 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@H]2Cc2ccc(O)cc2)c1 ZINC001198603683 874512380 /nfs/dbraw/zinc/51/23/80/874512380.db2.gz ARCSCCSRPGRNPO-SFHVURJKSA-N 0 3 384.432 3.684 20 5 GHBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccccc3)CC2)c2ncccc12 ZINC000029998479 875796746 /nfs/dbraw/zinc/79/67/46/875796746.db2.gz MXMOSSGITIIHNK-UHFFFAOYSA-N 0 3 391.475 3.767 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054348082 876491913 /nfs/dbraw/zinc/49/19/13/876491913.db2.gz YBAKNFLJHASTDZ-HOCLYGCPSA-N 0 3 384.436 3.560 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000850564983 877029483 /nfs/dbraw/zinc/02/94/83/877029483.db2.gz IMVKAITZYXTFOD-LTQQYIGLSA-N 0 3 391.468 3.654 20 5 GHBDHN CC[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000610039071 877322122 /nfs/dbraw/zinc/32/21/22/877322122.db2.gz KEAGGYZBYJPMQA-FQEVSTJZSA-N 0 3 395.503 3.826 20 5 GHBDHN CN(CCOc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787342987 877363441 /nfs/dbraw/zinc/36/34/41/877363441.db2.gz QYOOPMDYEKZOFC-QGZVFWFLSA-N 0 3 384.354 3.658 20 5 GHBDHN Cc1ccc(NCCCNC(=O)c2cccc(CN3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000610069513 877364416 /nfs/dbraw/zinc/36/44/16/877364416.db2.gz CDZNBPLDYGEZSK-UHFFFAOYSA-N 0 3 396.491 3.731 20 5 GHBDHN CC(C)[C@H](CO)[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000451599238 878227266 /nfs/dbraw/zinc/22/72/66/878227266.db2.gz PVCJEFLCIUYAHP-JQFCIGGWSA-N 0 3 376.457 3.585 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000852780333 878594459 /nfs/dbraw/zinc/59/44/59/878594459.db2.gz HGVAGJSPDBHGNC-GJZGRUSLSA-N 0 3 383.448 3.906 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC2(c3ccc(Br)cc3)CC2)c1 ZINC000180520432 879008752 /nfs/dbraw/zinc/00/87/52/879008752.db2.gz LGYNNQJXZMIMPO-INIZCTEOSA-N 0 3 377.238 3.670 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000538234510 879094327 /nfs/dbraw/zinc/09/43/27/879094327.db2.gz RHSYBNYOHWNQLV-FUHWJXTLSA-N 0 3 383.448 3.599 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000531212838 879339487 /nfs/dbraw/zinc/33/94/87/879339487.db2.gz RDCREAVTFWJSOD-ZCQATVAHSA-N 0 3 383.448 3.773 20 5 GHBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@@H]2C1 ZINC000493343003 879388562 /nfs/dbraw/zinc/38/85/62/879388562.db2.gz AZUKXSJWAYIVAY-MGPUTAFESA-N 0 3 397.500 3.912 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000520104550 879674829 /nfs/dbraw/zinc/67/48/29/879674829.db2.gz GFWOSRVKYLZRBE-UHFFFAOYSA-N 0 3 376.844 3.844 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000112820961 880167500 /nfs/dbraw/zinc/16/75/00/880167500.db2.gz UAPSLIDICYZECW-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CCCN(Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CCc2ccccc2C1 ZINC000919950779 881238808 /nfs/dbraw/zinc/23/88/08/881238808.db2.gz MSKUUGMAJWXYSB-HNNXBMFYSA-N 0 3 393.285 3.781 20 5 GHBDHN C[C@H]1CCC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000026466189 884260299 /nfs/dbraw/zinc/26/02/99/884260299.db2.gz ZTOAJNUQBARTBU-NWDGAFQWSA-N 0 3 384.274 3.806 20 5 GHBDHN COC(=O)/C=C\c1ccc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914787563 884792510 /nfs/dbraw/zinc/79/25/10/884792510.db2.gz UOTDCUJJBPUMNF-NTMALXAHSA-N 0 3 395.459 3.641 20 5 GHBDHN CCOc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000032217384 885045958 /nfs/dbraw/zinc/04/59/58/885045958.db2.gz GJDNIMORIGCODU-LJQANCHMSA-N 0 3 383.448 3.560 20 5 GHBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001131095809 885864968 /nfs/dbraw/zinc/86/49/68/885864968.db2.gz NBLIPTFSKXHMLL-KRWDZBQOSA-N 0 3 382.464 3.941 20 5 GHBDHN CC1(C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)Cc2ccccc2O1 ZINC000808791019 886787459 /nfs/dbraw/zinc/78/74/59/886787459.db2.gz DTZZYCFAOKAZIE-UHFFFAOYSA-N 0 3 387.411 3.736 20 5 GHBDHN COc1ccc(CN(C)CC(C)(C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000747534082 886907984 /nfs/dbraw/zinc/90/79/84/886907984.db2.gz YTCDOSMESLBCOX-UHFFFAOYSA-N 0 3 381.473 3.586 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C(C)C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000794601925 887666569 /nfs/dbraw/zinc/66/65/69/887666569.db2.gz GUGHEVHTGCDKAZ-YSSFQJQWSA-N 0 3 385.464 3.578 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(Br)cc2Cl)cc1 ZINC000809732598 887713069 /nfs/dbraw/zinc/71/30/69/887713069.db2.gz GJGMNJUHGLPSBZ-OAHLLOKOSA-N 0 3 385.645 3.834 20 5 GHBDHN COc1ccc(NC(=O)C[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000194061691 887995536 /nfs/dbraw/zinc/99/55/36/887995536.db2.gz VJSCJTYGMNNJMM-UONOGXRCSA-N 0 3 387.436 3.680 20 5 GHBDHN CN(CCCc1cc(-c2ccccc2)no1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153879834 888784263 /nfs/dbraw/zinc/78/42/63/888784263.db2.gz FXUAKOBNCLGXRT-NRFANRHFSA-N 0 3 381.432 3.848 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000916671052 889302929 /nfs/dbraw/zinc/30/29/29/889302929.db2.gz DQVCWRHHBSNYJZ-INIZCTEOSA-N 0 3 397.479 3.619 20 5 GHBDHN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102315 891274723 /nfs/dbraw/zinc/27/47/23/891274723.db2.gz PPBDOWLHBBBCQN-AWEZNQCLSA-N 0 3 382.416 3.985 20 5 GHBDHN CC(COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813110671 891303502 /nfs/dbraw/zinc/30/35/02/891303502.db2.gz HFIZHJQMFDQJJT-CQSZACIVSA-N 0 3 399.834 3.944 20 5 GHBDHN CC(COC(=O)c1ccc(COc2ccccc2Br)cc1)[N+](=O)[O-] ZINC000813114001 891306175 /nfs/dbraw/zinc/30/61/75/891306175.db2.gz KVWLSDPDONFCKZ-LBPRGKRZSA-N 0 3 394.221 3.850 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000813680568 891872150 /nfs/dbraw/zinc/87/21/50/891872150.db2.gz QXRDRZWKJBHJKI-LJQANCHMSA-N 0 3 389.427 3.554 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cccnc3Oc3cccc(F)c3)C2)c1 ZINC000876928865 893390808 /nfs/dbraw/zinc/39/08/08/893390808.db2.gz PVHOTAJLBZDQGW-UHFFFAOYSA-N 0 3 383.383 3.611 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000536754456 893735513 /nfs/dbraw/zinc/73/55/13/893735513.db2.gz AUQGWTSBHAVSKU-GOSISDBHSA-N 0 3 385.464 3.589 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cc(C)ccc1OC ZINC000459665745 894023984 /nfs/dbraw/zinc/02/39/84/894023984.db2.gz KOZIPAFQFBSCJH-CQSZACIVSA-N 0 3 387.436 3.600 20 5 GHBDHN CSc1ccc([C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])N(C)C)cc1 ZINC000565291766 895512314 /nfs/dbraw/zinc/51/23/14/895512314.db2.gz BSBTVLWVUVYPLH-GOSISDBHSA-N 0 3 399.476 3.680 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001136609515 898528762 /nfs/dbraw/zinc/52/87/62/898528762.db2.gz OLMGHVZIUJSWBR-UHFFFAOYSA-N 0 3 389.883 3.690 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CC[C@H]4CC4(Cl)Cl)CC3)nc2c1 ZINC000822852179 898675266 /nfs/dbraw/zinc/67/52/66/898675266.db2.gz QFTIJBVRFSBNAJ-LBPRGKRZSA-N 0 3 398.294 3.567 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000823996539 899345588 /nfs/dbraw/zinc/34/55/88/899345588.db2.gz IXSLJJWQUDZLKK-UGSOOPFHSA-N 0 3 381.860 3.595 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000134111174 899587583 /nfs/dbraw/zinc/58/75/83/899587583.db2.gz SVCYLQXSXBGXPO-CVEARBPZSA-N 0 3 393.484 3.599 20 5 GHBDHN C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571301534 899818779 /nfs/dbraw/zinc/81/87/79/899818779.db2.gz ADDQRWJVDMZRSS-FZKQIMNGSA-N 0 3 390.871 3.911 20 5 GHBDHN CCOc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1OC ZINC000575138053 901130792 /nfs/dbraw/zinc/13/07/92/901130792.db2.gz OHIZURYFJKEVMK-UHFFFAOYSA-N 0 3 398.419 3.781 20 5 GHBDHN Cc1c(CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000576578012 902106909 /nfs/dbraw/zinc/10/69/09/902106909.db2.gz AARHPNUHPSBCLJ-KBXCAEBGSA-N 0 3 378.856 3.785 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872509 902473548 /nfs/dbraw/zinc/47/35/48/902473548.db2.gz IQQYPMSBFIYEAP-ORAYPTAESA-N 0 3 386.379 3.516 20 5 GHBDHN COc1ccc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845872277 902473982 /nfs/dbraw/zinc/47/39/82/902473982.db2.gz FVYOMEBDTQQVNC-ZUOKHONESA-N 0 3 391.395 3.725 20 5 GHBDHN Cc1oc(-c2ccco2)nc1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873721 902475487 /nfs/dbraw/zinc/47/54/87/902475487.db2.gz FPDHMOMXAVOXEZ-VOJFVSQTSA-N 0 3 388.351 3.874 20 5 GHBDHN CC([C@@H](OC(=O)c1cnn(CCC(F)(F)F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872984 902476677 /nfs/dbraw/zinc/47/66/77/902476677.db2.gz AZSLQLWUHYAQFR-QMTHXVAHSA-N 0 3 389.305 3.538 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000845878241 902482422 /nfs/dbraw/zinc/48/24/22/902482422.db2.gz RTZHWEMDRNTCRY-VBHSOAQHSA-N 0 3 375.400 3.865 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F)[N+](=O)[O-] ZINC000845879990 902485417 /nfs/dbraw/zinc/48/54/17/902485417.db2.gz JOESJFLPYFDJAY-XWCIJXRUSA-N 0 3 376.340 3.787 20 5 GHBDHN CC([C@H](OC(=O)c1cccc2c1OCCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882337 902486899 /nfs/dbraw/zinc/48/68/99/902486899.db2.gz SSCPGKJTDPZEAG-PXAZEXFGSA-N 0 3 375.352 3.550 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000600983691 903183172 /nfs/dbraw/zinc/18/31/72/903183172.db2.gz MKWWBJGQDIBSLR-SFHVURJKSA-N 0 3 389.427 3.555 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CNC2(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000847060697 903439588 /nfs/dbraw/zinc/43/95/88/903439588.db2.gz BIDJPZWXOVFFDQ-MRXNPFEDSA-N 0 3 382.338 3.806 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(CNC2(Cc3ccc(F)cc3)CCOCC2)c(F)c1 ZINC000578456097 903857849 /nfs/dbraw/zinc/85/78/49/903857849.db2.gz NQCDYWUPSHQYGQ-UHFFFAOYSA-N 0 3 380.366 3.894 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801601869 921181009 /nfs/dbraw/zinc/18/10/09/921181009.db2.gz QCQGBUCXOVJMBE-UHFFFAOYSA-N 0 3 394.225 3.940 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3cnccc3Cl)CC2)c(F)c1 ZINC001173005451 906080538 /nfs/dbraw/zinc/08/05/38/906080538.db2.gz GLQXKNXDQWRJBY-UHFFFAOYSA-N 0 3 382.798 3.680 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](c2ccc(F)cn2)C2CC2)c1F ZINC001173182343 906263112 /nfs/dbraw/zinc/26/31/12/906263112.db2.gz SCEFOMZXAPQKIR-NSPYISDASA-N 0 3 377.391 3.949 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173230693 906314169 /nfs/dbraw/zinc/31/41/69/906314169.db2.gz ZKNVJDBIAFDLOX-RVKKMQEKSA-N 0 3 377.485 3.761 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001173233385 906321322 /nfs/dbraw/zinc/32/13/22/906321322.db2.gz WAHFHDHTFFBBQY-ZDUSSCGKSA-N 0 3 376.844 3.513 20 5 GHBDHN CCCn1ccnc1CCCN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191507375 908633886 /nfs/dbraw/zinc/63/38/86/908633886.db2.gz JNHHLPPSBMYBLG-HNNXBMFYSA-N 0 3 398.467 3.877 20 5 GHBDHN CN(C)C[C@@H]1COCCN1C(=O)CCc1c2ccccc2cc2ccccc21 ZINC001182415356 911628355 /nfs/dbraw/zinc/62/83/55/911628355.db2.gz ZUYSONXFRUCWFT-HXUWFJFHSA-N 0 3 376.500 3.715 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000291581824 915260836 /nfs/dbraw/zinc/26/08/36/915260836.db2.gz OWVOCVAXZRESRW-BZNIZROVSA-N 0 3 389.279 3.559 20 5 GHBDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001191474266 918010433 /nfs/dbraw/zinc/01/04/33/918010433.db2.gz ICIAAAWMOFITEG-PLMTUMEDSA-N 0 3 379.460 3.653 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000725791428 926438802 /nfs/dbraw/zinc/43/88/02/926438802.db2.gz UOPQHDULOYMDBB-JNLAIUADSA-N 0 3 399.447 3.931 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750190071 927477393 /nfs/dbraw/zinc/47/73/93/927477393.db2.gz GPVNSGUZLGYBTH-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000546056280 929811481 /nfs/dbraw/zinc/81/14/81/929811481.db2.gz PYKWHRXIVMLLBI-RXVVDRJESA-N 0 3 385.464 3.646 20 5 GHBDHN CC(C)(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000546540049 930250070 /nfs/dbraw/zinc/25/00/70/930250070.db2.gz CGKKUYFDMNNILG-SFHVURJKSA-N 0 3 399.466 3.792 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470135712 930398819 /nfs/dbraw/zinc/39/88/19/930398819.db2.gz VRJSCJUXEVPFBG-UHFFFAOYSA-N 0 3 388.443 3.762 20 5 GHBDHN O=C(CCN1CCS[C@@H](c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782499760 931242814 /nfs/dbraw/zinc/24/28/14/931242814.db2.gz VMSKIJJZCQBXPX-GOSISDBHSA-N 0 3 389.452 3.853 20 5 GHBDHN O=C(CCN1CCC[C@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000782542224 931262944 /nfs/dbraw/zinc/26/29/44/931262944.db2.gz JVRRDDODAKJEIU-OAQYLSRUSA-N 0 3 399.422 3.584 20 5 GHBDHN C/C(=C/C(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783996477 931744370 /nfs/dbraw/zinc/74/43/70/931744370.db2.gz NXFLBOSWEQAQGO-PEZBUJJGSA-N 0 3 385.439 3.728 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCN(CCc4ccccc4)CC3)c2c1 ZINC001117586413 933959163 /nfs/dbraw/zinc/95/91/63/933959163.db2.gz VHVHBPYOKMBOAJ-UHFFFAOYSA-N 0 3 397.866 3.556 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000561804781 934467907 /nfs/dbraw/zinc/46/79/07/934467907.db2.gz LLSWHJXHFHMNKP-SJLPKXTDSA-N 0 3 382.464 3.996 20 5 GHBDHN O=[N+]([O-])c1ccccc1Cc1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000544911842 1015200122 /nfs/dbraw/zinc/20/01/22/1015200122.db2.gz RMFRCTOHRVTANC-UHFFFAOYSA-N 0 3 378.432 3.948 20 5 GHBDHN CO[C@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000468597982 1015832780 /nfs/dbraw/zinc/83/27/80/1015832780.db2.gz QOGOGDSVAHXBSV-CYBMUJFWSA-N 0 3 375.372 3.775 20 5 GHBDHN C[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000470117955 1016726989 /nfs/dbraw/zinc/72/69/89/1016726989.db2.gz RQROJULGOOEVTB-HNNXBMFYSA-N 0 3 386.427 3.862 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000557247289 1016981014 /nfs/dbraw/zinc/98/10/14/1016981014.db2.gz NXDBLAVJWQWIBS-OAHLLOKOSA-N 0 3 376.254 3.726 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c2ncccc12 ZINC001228138446 1032805142 /nfs/dbraw/zinc/80/51/42/1032805142.db2.gz LAKVTTMGFJUNKL-GOSISDBHSA-N 0 3 393.443 3.813 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576851446 1020077725 /nfs/dbraw/zinc/07/77/25/1020077725.db2.gz TUYPICWYQVWCLU-XCBAANBCSA-N 0 3 397.475 3.863 20 5 GHBDHN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCCN(Cc4ccccc4)C3)cc2N1 ZINC000195665887 1020971239 /nfs/dbraw/zinc/97/12/39/1020971239.db2.gz CXWHLDRWEAWPAR-QGZVFWFLSA-N 0 3 380.448 3.556 20 5 GHBDHN COc1ccc(CN2CCCC[C@@H]2CN(C)c2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC001156293126 1032962627 /nfs/dbraw/zinc/96/26/27/1032962627.db2.gz WCPHTMXPOUTYLM-GOSISDBHSA-N 0 3 384.480 3.798 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754099651 1022481489 /nfs/dbraw/zinc/48/14/89/1022481489.db2.gz WZUUHSQMQDSJTO-YMTYPPQLSA-N 0 3 397.450 3.980 20 5 GHBDHN CCOc1cc(CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000755043189 1023041171 /nfs/dbraw/zinc/04/11/71/1023041171.db2.gz VKLJJQAKMKBUPU-UHFFFAOYSA-N 0 3 393.484 3.825 20 5 GHBDHN O=c1oc2ccccc2c(O[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228803281 1033105162 /nfs/dbraw/zinc/10/51/62/1033105162.db2.gz YFXZCJAEGAJUAS-INIZCTEOSA-N 0 3 380.400 3.745 20 5 GHBDHN CCOc1cc(COC(=O)C2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000755546570 1023289708 /nfs/dbraw/zinc/28/97/08/1023289708.db2.gz AQRMQYCBWYMNKU-UHFFFAOYSA-N 0 3 398.459 3.949 20 5 GHBDHN O=C1O[C@@H](CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1c1ccccc1 ZINC000831539196 1024627476 /nfs/dbraw/zinc/62/74/76/1024627476.db2.gz OPMRZILBLNIGBZ-PXNSSMCTSA-N 0 3 381.432 3.800 20 5 GHBDHN COc1ccccc1[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])N1CCCC1 ZINC001161924306 1025497821 /nfs/dbraw/zinc/49/78/21/1025497821.db2.gz REKVJTOUGJKVJQ-LJQANCHMSA-N 0 3 392.459 3.823 20 5 GHBDHN CC[C@H](C)N[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001163273297 1026117541 /nfs/dbraw/zinc/11/75/41/1026117541.db2.gz NPENTKUAOXFEDM-DZGCQCFKSA-N 0 3 384.436 3.581 20 5 GHBDHN CN(C)C1(C)CN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])C1 ZINC001165117654 1026615172 /nfs/dbraw/zinc/61/51/72/1026615172.db2.gz ISPRSMZLOLUMCQ-UHFFFAOYSA-N 0 3 380.807 3.715 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001203597212 1027463063 /nfs/dbraw/zinc/46/30/63/1027463063.db2.gz CZARTEYCVUQWPI-CQSZACIVSA-N 0 3 387.436 3.954 20 5 GHBDHN O=[N+]([O-])c1cccc(Oc2ccc(-c3noc(C[C@H]4CSCCN4)n3)cc2)c1 ZINC000843211169 1029854725 /nfs/dbraw/zinc/85/47/25/1029854725.db2.gz NXEPCQOZMGIJDT-AWEZNQCLSA-N 0 3 398.444 3.685 20 5 GHBDHN COc1cc(CO[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC001223905435 1030801436 /nfs/dbraw/zinc/80/14/36/1030801436.db2.gz KLQLSCKTHLWPDN-GOSISDBHSA-N 0 3 386.448 3.793 20 5 GHBDHN CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001218662812 1031024068 /nfs/dbraw/zinc/02/40/68/1031024068.db2.gz CNMWIHGOLIGGHQ-QGZVFWFLSA-N 0 3 386.427 3.862 20 5 GHBDHN CCc1noc([C@H]2CC[C@@H](NCc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC001461795823 1069751960 /nfs/dbraw/zinc/75/19/60/1069751960.db2.gz DXGRMVOPXCSTGU-CMPLNLGQSA-N 0 3 382.367 3.568 20 5 GHBDHN C[S@](=O)[C@@H]1CC[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001461803919 1069758603 /nfs/dbraw/zinc/75/86/03/1069758603.db2.gz DUORUXMRNNAFMB-GLAPUPDPSA-N 0 3 382.869 3.897 20 5 GHBDHN COC(=O)Cc1ccc(O[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001226215580 1031856810 /nfs/dbraw/zinc/85/68/10/1031856810.db2.gz ZJUQDFARTSXASZ-KKSFZXQISA-N 0 3 398.459 3.600 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)ccc1[N+](=O)[O-] ZINC001207137748 1034121439 /nfs/dbraw/zinc/12/14/39/1034121439.db2.gz IOXVRYKTVMOSKE-HIFRSBDPSA-N 0 3 390.440 3.837 20 5 GHBDHN CC(C)(C)OC(=O)c1c(Nc2cc([O-])cc([N+](=O)[O-])c2)sc2c1CC[NH2+]C2 ZINC001159272397 1034515683 /nfs/dbraw/zinc/51/56/83/1034515683.db2.gz NJQWXJUAARZTOQ-UHFFFAOYSA-N 0 3 391.449 3.707 20 5 GHBDHN O=C1OC2(CCN(Cc3ccc4ccc5cccnc5c4n3)CC2)c2cnccc21 ZINC001232226066 1035172022 /nfs/dbraw/zinc/17/20/22/1035172022.db2.gz RNNRHIBIIKSVKQ-UHFFFAOYSA-N 0 3 396.450 3.840 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1C ZINC001276658027 1035331934 /nfs/dbraw/zinc/33/19/34/1035331934.db2.gz HWYITELIGQKNEK-QUCCMNQESA-N 0 3 379.460 3.558 20 5 GHBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001234409006 1040013019 /nfs/dbraw/zinc/01/30/19/1040013019.db2.gz TXNXLLUARSTUNZ-IBGZPJMESA-N 0 3 398.459 3.744 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1Cl ZINC001294799871 1044796839 /nfs/dbraw/zinc/79/68/39/1044796839.db2.gz ABRDNMMDKUWEBZ-HOCLYGCPSA-N 0 3 387.867 3.949 20 5 GHBDHN CCC(CC)Nc1ccncc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001298609769 1045894554 /nfs/dbraw/zinc/89/45/54/1045894554.db2.gz RKQOPWSICOWUJJ-UHFFFAOYSA-N 0 3 381.436 3.606 20 5 GHBDHN CNc1c(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001303170949 1047301383 /nfs/dbraw/zinc/30/13/83/1047301383.db2.gz BQRDOQSQHQWGOF-SFHVURJKSA-N 0 3 396.491 3.763 20 5 GHBDHN C[C@@]1(Cc2ccccc2)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307655647 1049480905 /nfs/dbraw/zinc/48/09/05/1049480905.db2.gz OBZJVMLDMZJMOI-QFIPXVFZSA-N 0 3 379.460 3.581 20 5 GHBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001307893046 1049672274 /nfs/dbraw/zinc/67/22/74/1049672274.db2.gz DOUGUJDWLLNLCE-BRWVUGGUSA-N 0 3 398.463 3.986 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001307929913 1049702529 /nfs/dbraw/zinc/70/25/29/1049702529.db2.gz BZXMLPVFBOYPLH-OAQYLSRUSA-N 0 3 383.492 3.946 20 5 GHBDHN COc1ccc(OCCN2CCC[C@H]2COc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001308109870 1049855011 /nfs/dbraw/zinc/85/50/11/1049855011.db2.gz CMGRZGRAPBXVMW-INIZCTEOSA-N 0 3 390.411 3.665 20 5 GHBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@H](O)[C@H](C)O)cc2[N+](=O)[O-])c1 ZINC001308479611 1049985544 /nfs/dbraw/zinc/98/55/44/1049985544.db2.gz OCAHILQAXBPILO-HNAYVOBHSA-N 0 3 388.464 3.650 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]2(c3ccccc3)CCCO2)c1 ZINC001308529961 1049999847 /nfs/dbraw/zinc/99/98/47/1049999847.db2.gz KBCIQONNNPUHGC-IBGZPJMESA-N 0 3 378.375 3.992 20 5 GHBDHN COc1ccc(CN2CC[C@H]2CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001308869244 1050131543 /nfs/dbraw/zinc/13/15/43/1050131543.db2.gz MQXAVLHFVIHFTB-KRWDZBQOSA-N 0 3 375.856 3.621 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC001331731877 1051362934 /nfs/dbraw/zinc/36/29/34/1051362934.db2.gz ZMXVGVDMKFLVJM-DLBZAZTESA-N 0 3 385.247 3.648 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](c2cccs2)N(C)C)cc1C ZINC001472637121 1056589329 /nfs/dbraw/zinc/58/93/29/1056589329.db2.gz JELYOYFSXCVLON-MRXNPFEDSA-N 0 3 377.466 3.856 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(Br)c1 ZINC001324384161 1057123323 /nfs/dbraw/zinc/12/33/23/1057123323.db2.gz SBEXLEMACXKASK-FVQBIDKESA-N 0 3 381.270 3.795 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)n1 ZINC001450806801 1060698149 /nfs/dbraw/zinc/69/81/49/1060698149.db2.gz VAROGJLQFRAQMJ-HXUWFJFHSA-N 0 3 384.480 3.529 20 5 GHBDHN CN(C)CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ccccc1 ZINC001434923274 1062117006 /nfs/dbraw/zinc/11/70/06/1062117006.db2.gz AYRDXLDWXRDOGC-UHFFFAOYSA-N 0 3 378.432 3.539 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC001348257061 1062968592 /nfs/dbraw/zinc/96/85/92/1062968592.db2.gz PDWDPRAAMSFMAR-DLBZAZTESA-N 0 3 385.247 3.648 20 5 GHBDHN CC([C@H](OC(=O)Cc1cccc(C(F)(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC001348939135 1063424894 /nfs/dbraw/zinc/42/48/94/1063424894.db2.gz GBCBDMKGDJPONY-QFYYESIMSA-N 0 3 386.301 3.732 20 5 GHBDHN Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 ZINC001465544631 1065703594 /nfs/dbraw/zinc/70/35/94/1065703594.db2.gz DKGSPGMDBJCYOT-INIZCTEOSA-N 0 3 388.855 3.953 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001466997738 1066436033 /nfs/dbraw/zinc/43/60/33/1066436033.db2.gz PAGWDAQSYPQECH-SFHVURJKSA-N 0 3 398.463 3.780 20 5 GHBDHN COC(=O)c1ccc(OCCNC(C)(C)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001460175626 1068835367 /nfs/dbraw/zinc/83/53/67/1068835367.db2.gz VVIYOTMOZUZVDK-UHFFFAOYSA-N 0 3 392.839 3.939 20 5 GHBDHN CCOc1cc(CN(C)CCCN(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001460255898 1068887583 /nfs/dbraw/zinc/88/75/83/1068887583.db2.gz WSDYPZKUVZLQKL-UHFFFAOYSA-N 0 3 381.473 3.682 20 5 GHBDHN CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CCN1Cc1ccccc1 ZINC001472754215 1073650725 /nfs/dbraw/zinc/65/07/25/1073650725.db2.gz ZSPRGIFDPLCDTB-SFHVURJKSA-N 0 3 397.475 3.791 20 5 GHBDHN COc1ccccc1C[C@@](C)(CO)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001473749550 1074121847 /nfs/dbraw/zinc/12/18/47/1074121847.db2.gz AWRRWLBUBALKTN-SFHVURJKSA-N 0 3 398.381 3.706 20 5 GHBDHN COc1ccc(C[C@@](C)(CO)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC001473838756 1074167856 /nfs/dbraw/zinc/16/78/56/1074167856.db2.gz KZKZFZTWDSMABX-SFHVURJKSA-N 0 3 398.381 3.706 20 5 GHBDHN CC(C)(C)OC(=O)NCC1(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC001474319498 1074340597 /nfs/dbraw/zinc/34/05/97/1074340597.db2.gz QDPXKRRZPVJCNX-UHFFFAOYSA-N 0 3 375.469 3.864 20 5 GHBDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001476324456 1075125486 /nfs/dbraw/zinc/12/54/86/1075125486.db2.gz FFHVNSWDJYCUED-UHFFFAOYSA-N 0 3 388.390 3.952 20 5 GHBDHN CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000176506175 837395038 /nfs/dbraw/zinc/39/50/38/837395038.db2.gz IAXPWPVADNYJLA-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001267591161 837501682 /nfs/dbraw/zinc/50/16/82/837501682.db2.gz MCTNGJPOZVMRRN-APWZRJJASA-N 0 3 397.475 3.632 20 5 GHBDHN Cc1ccoc1C(=O)NCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180911168 837679831 /nfs/dbraw/zinc/67/98/31/837679831.db2.gz ZVGTYHBYQSVPGF-FQEVSTJZSA-N 0 3 393.443 3.995 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000136185176 835319124 /nfs/dbraw/zinc/31/91/24/835319124.db2.gz YWWMGUHBURZYBX-YJBOKZPZSA-N 0 3 382.464 3.996 20 5 GHBDHN COc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000611828716 835913857 /nfs/dbraw/zinc/91/38/57/835913857.db2.gz JLUPCDWLJNBHIG-QGZVFWFLSA-N 0 3 384.436 3.562 20 5 GHBDHN COc1ccccc1COC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000179759801 835968221 /nfs/dbraw/zinc/96/82/21/835968221.db2.gz LBTINCGADLFFQJ-UHFFFAOYSA-N 0 3 386.448 3.663 20 5 GHBDHN CCN(CC)C(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000120726185 836155535 /nfs/dbraw/zinc/15/55/35/836155535.db2.gz SGJZWEGQOHNYGH-UHFFFAOYSA-N 0 3 385.464 3.935 20 5 GHBDHN C[C@H](C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000582460803 836297848 /nfs/dbraw/zinc/29/78/48/836297848.db2.gz HQQQHTXTPGJFEB-LAUBAEHRSA-N 0 3 381.476 3.821 20 5 GHBDHN COc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411782944 836346250 /nfs/dbraw/zinc/34/62/50/836346250.db2.gz ALFTTWRRSYHIMG-RYUDHWBXSA-N 0 3 389.374 3.595 20 5 GHBDHN CC(C)(NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431678840 836718881 /nfs/dbraw/zinc/71/88/81/836718881.db2.gz MYEACJCPZQJGAO-LJQANCHMSA-N 0 3 396.491 3.794 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180393311 837221736 /nfs/dbraw/zinc/22/17/36/837221736.db2.gz JVUQBCVDEKHONN-BXUZGUMPSA-N 0 3 385.247 3.992 20 5 GHBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](c1ccccc1)N(C)C ZINC000187274355 837277770 /nfs/dbraw/zinc/27/77/70/837277770.db2.gz AZZWTEWYUXXMSO-YVEFUNNKSA-N 0 3 393.390 3.617 20 5 GHBDHN CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000580491033 837354133 /nfs/dbraw/zinc/35/41/33/837354133.db2.gz DGKCUNVEPAMDEI-UHFFFAOYSA-N 0 3 396.896 3.589 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000121131840 838556122 /nfs/dbraw/zinc/55/61/22/838556122.db2.gz MUIMQLDWCISSED-LBPRGKRZSA-N 0 3 377.828 3.764 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(CC2CCCCC2)CC1 ZINC000049982080 838961443 /nfs/dbraw/zinc/96/14/43/838961443.db2.gz IRUQZCOKBIXLJF-MRXNPFEDSA-N 0 3 399.495 3.904 20 5 GHBDHN Cc1nc2c(s1)[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000378598852 839402870 /nfs/dbraw/zinc/40/28/70/839402870.db2.gz WAHHQLNFOJTLTJ-MRXNPFEDSA-N 0 3 383.477 3.927 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCSc2ccc(Cl)cc21 ZINC000580372790 839409542 /nfs/dbraw/zinc/40/95/42/839409542.db2.gz NABNOSYEMOFFQX-ZFWWWQNUSA-N 0 3 394.880 3.815 20 5 GHBDHN C[C@@H]1CN(c2ccc(CN[C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000417320409 840719554 /nfs/dbraw/zinc/71/95/54/840719554.db2.gz JQANHQCMMKGWOC-IIBYNOLFSA-N 0 3 396.491 3.772 20 5 GHBDHN Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000106877722 841127043 /nfs/dbraw/zinc/12/70/43/841127043.db2.gz ODQQKTRGWPQTIY-ZDUSSCGKSA-N 0 3 376.482 3.998 20 5 GHBDHN CN(C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000131103720 861203341 /nfs/dbraw/zinc/20/33/41/861203341.db2.gz COXGQOWYTCCEHK-HXUWFJFHSA-N 0 3 382.464 3.572 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cc1 ZINC000549622125 842164954 /nfs/dbraw/zinc/16/49/54/842164954.db2.gz MBUWISSJBSPBOM-MRXNPFEDSA-N 0 3 386.839 3.762 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000302661188 861318169 /nfs/dbraw/zinc/31/81/69/861318169.db2.gz WYTISIOVTVKRHG-INIZCTEOSA-N 0 3 387.505 3.666 20 5 GHBDHN C[C@H]1CN(Cc2cccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000249050644 842708607 /nfs/dbraw/zinc/70/86/07/842708607.db2.gz XIAGCBYGCMCDTQ-SBUREZEXSA-N 0 3 395.503 3.983 20 5 GHBDHN COC(=O)N(C)CCNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001203144065 843594746 /nfs/dbraw/zinc/59/47/46/843594746.db2.gz HAUXIKAZGKLCBM-UHFFFAOYSA-N 0 3 389.477 3.842 20 5 GHBDHN COC[C@H](CNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)OC ZINC000512391402 843625263 /nfs/dbraw/zinc/62/52/63/843625263.db2.gz MYDOWJKTARQKDI-INIZCTEOSA-N 0 3 376.478 3.805 20 5 GHBDHN COc1cc(CN2CCCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000512481035 843967251 /nfs/dbraw/zinc/96/72/51/843967251.db2.gz RPHMZBRRUQOFAC-OCCSQVGLSA-N 0 3 388.411 3.720 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000473516422 844636370 /nfs/dbraw/zinc/63/63/70/844636370.db2.gz BOMWBALWUDUOHS-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000473516424 844639809 /nfs/dbraw/zinc/63/98/09/844639809.db2.gz BOMWBALWUDUOHS-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN COc1cc(CN(C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000119422800 844659144 /nfs/dbraw/zinc/65/91/44/844659144.db2.gz ORPOKXOCPZHEMQ-LBPRGKRZSA-N 0 3 396.390 3.973 20 5 GHBDHN CCN(CC)c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000236964046 844982230 /nfs/dbraw/zinc/98/22/30/844982230.db2.gz AMEGPWNCVULNIB-UHFFFAOYSA-N 0 3 394.479 3.526 20 5 GHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000433763945 845326079 /nfs/dbraw/zinc/32/60/79/845326079.db2.gz CJUYCLWSENDYAC-JXFKEZNVSA-N 0 3 377.448 3.667 20 5 GHBDHN CC1(C)C[C@@H](NC[C@@H](O)COc2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433169350 845583725 /nfs/dbraw/zinc/58/37/25/845583725.db2.gz QSBYUFNRYMCLCY-BFUOFWGJSA-N 0 3 392.402 3.625 20 5 GHBDHN C[S@](=O)C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000183125526 846359815 /nfs/dbraw/zinc/35/98/15/846359815.db2.gz WNKSBWHJKSMKIY-WRHNGFHOSA-N 0 3 399.472 3.502 20 5 GHBDHN COc1cc(CN[C@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000582180735 846591266 /nfs/dbraw/zinc/59/12/66/846591266.db2.gz NWTTYTAWKFGTAV-NEPJUHHUSA-N 0 3 380.338 3.915 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)s1 ZINC000375689450 846934405 /nfs/dbraw/zinc/93/44/05/846934405.db2.gz DUJUZHBGKYMPBV-IBGZPJMESA-N 0 3 398.488 3.992 20 5 GHBDHN CC[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000127471400 846960590 /nfs/dbraw/zinc/96/05/90/846960590.db2.gz LTVDEISMVPXZRM-IBGZPJMESA-N 0 3 376.478 3.641 20 5 GHBDHN C[C@@H]1C[C@]1(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000503377220 847651838 /nfs/dbraw/zinc/65/18/38/847651838.db2.gz NJQHDMUJSLALLA-OMWUSAIZSA-N 0 3 376.840 3.513 20 5 GHBDHN Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000128578350 861863180 /nfs/dbraw/zinc/86/31/80/861863180.db2.gz JAZYHIDNIJNQII-NSHDSACASA-N 0 3 380.445 3.829 20 5 GHBDHN CC1CCN([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000604200182 861967896 /nfs/dbraw/zinc/96/78/96/861967896.db2.gz GLIALAQUKOTXED-HXUWFJFHSA-N 0 3 397.475 3.563 20 5 GHBDHN CCOc1ccc([C@@H](C)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000504928110 850465790 /nfs/dbraw/zinc/46/57/90/850465790.db2.gz ZHNJXRINMWNMBV-XLIONFOSSA-N 0 3 399.491 3.545 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(CN4CCSCC4)cc3)n2)c1 ZINC000505037186 850552486 /nfs/dbraw/zinc/55/24/86/850552486.db2.gz ZYKLXANKTBZMOJ-UHFFFAOYSA-N 0 3 382.445 3.861 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(CN4CCSCC4)cc3)n2)cc1 ZINC000505054956 850556225 /nfs/dbraw/zinc/55/62/25/850556225.db2.gz LNUSKKATCBYLEQ-UHFFFAOYSA-N 0 3 382.445 3.861 20 5 GHBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426567573 850774381 /nfs/dbraw/zinc/77/43/81/850774381.db2.gz WPZCGPKRDZJXII-MRXNPFEDSA-N 0 3 385.464 3.540 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](CO)C3CCCCC3)cs2)c1 ZINC000550275199 852253775 /nfs/dbraw/zinc/25/37/75/852253775.db2.gz XMTOPMZKLTUESZ-MRXNPFEDSA-N 0 3 375.494 3.997 20 5 GHBDHN C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000491146298 853459348 /nfs/dbraw/zinc/45/93/48/853459348.db2.gz MQAOVJBTODDDND-BEFAXECRSA-N 0 3 384.480 3.821 20 5 GHBDHN C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)Cc1ccccc1 ZINC000426351054 853544015 /nfs/dbraw/zinc/54/40/15/853544015.db2.gz HFRFBTNQAMULGS-QGZVFWFLSA-N 0 3 396.491 3.789 20 5 GHBDHN COc1cc(CNC[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000273530977 855641061 /nfs/dbraw/zinc/64/10/61/855641061.db2.gz VCBIJWBAWGJNBT-SNVBAGLBSA-N 0 3 387.408 3.597 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)o2)cc1 ZINC000281028057 862811391 /nfs/dbraw/zinc/81/13/91/862811391.db2.gz OXNLOXRNMAHDCW-KZNAEPCWSA-N 0 3 386.452 3.550 20 5 GHBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000173330380 856858700 /nfs/dbraw/zinc/85/87/00/856858700.db2.gz HGUJITFBBKXKTE-GJZGRUSLSA-N 0 3 383.448 3.664 20 5 GHBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000485955106 857269878 /nfs/dbraw/zinc/26/98/78/857269878.db2.gz RBKSEIGOJJVKPQ-AWEZNQCLSA-N 0 3 383.467 3.527 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3CCN(c4ccccn4)CC3)cs2)c1 ZINC000113322007 857428934 /nfs/dbraw/zinc/42/89/34/857428934.db2.gz GTUXCYLKLRVMJY-UHFFFAOYSA-N 0 3 395.488 3.872 20 5 GHBDHN CCN1CCCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 ZINC000521058137 857567745 /nfs/dbraw/zinc/56/77/45/857567745.db2.gz SMWFATCNBMTIDU-UHFFFAOYSA-N 0 3 382.464 3.688 20 5 GHBDHN O=C(NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000065962834 857898998 /nfs/dbraw/zinc/89/89/98/857898998.db2.gz WBOJQWBILUNURL-UHFFFAOYSA-N 0 3 389.496 3.525 20 5 GHBDHN CCOc1cc(C(=O)Nc2ccc(C)cc2CN(C)C)c([N+](=O)[O-])cc1OC ZINC000114110699 857900092 /nfs/dbraw/zinc/90/00/92/857900092.db2.gz OTXKAJLYMXUHND-UHFFFAOYSA-N 0 3 387.436 3.624 20 5 GHBDHN C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000543150473 858663889 /nfs/dbraw/zinc/66/38/89/858663889.db2.gz DVUNVWACRCFWIL-OLZOCXBDSA-N 0 3 385.917 3.719 20 5 GHBDHN C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000543150479 858663909 /nfs/dbraw/zinc/66/39/09/858663909.db2.gz DVUNVWACRCFWIL-STQMWFEESA-N 0 3 385.917 3.719 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522176982 858724376 /nfs/dbraw/zinc/72/43/76/858724376.db2.gz KLUAFMUXUBKWEL-FQEVSTJZSA-N 0 3 396.491 3.639 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593129545 858731187 /nfs/dbraw/zinc/73/11/87/858731187.db2.gz XBUKNFFYZUETCD-ZYHUDNBSSA-N 0 3 383.326 3.829 20 5 GHBDHN CC(C)Oc1cc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC001129251812 858775374 /nfs/dbraw/zinc/77/53/74/858775374.db2.gz VMWCXQVKJXQOMI-GOSISDBHSA-N 0 3 397.475 3.905 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000615201590 858824965 /nfs/dbraw/zinc/82/49/65/858824965.db2.gz CTDMCTAWXLPXPS-CQSZACIVSA-N 0 3 389.839 3.526 20 5 GHBDHN C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1 ZINC000466244863 858844308 /nfs/dbraw/zinc/84/43/08/858844308.db2.gz VZHGHWOFUDEUSH-CQSZACIVSA-N 0 3 390.871 3.568 20 5 GHBDHN Cc1cc(CC(C)(C)NCc2c([N+](=O)[O-])ncn2C)ccc1Br ZINC000429263782 858857080 /nfs/dbraw/zinc/85/70/80/858857080.db2.gz AATXSNJEUGYDJQ-UHFFFAOYSA-N 0 3 381.274 3.510 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@@H](Oc3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC001170354052 881396205 /nfs/dbraw/zinc/39/62/05/881396205.db2.gz HOMCSXGDCZYCOM-QFBILLFUSA-N 0 3 385.464 3.781 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000509399266 859315223 /nfs/dbraw/zinc/31/52/23/859315223.db2.gz LGEXRHJUVNKLJC-HXUWFJFHSA-N 0 3 396.491 3.789 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1CCC2(CCOCC2)CO1 ZINC000895536632 859632449 /nfs/dbraw/zinc/63/24/49/859632449.db2.gz MTHALXBDRYXEHG-OAHLLOKOSA-N 0 3 388.386 3.679 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)o1 ZINC000611254004 859664882 /nfs/dbraw/zinc/66/48/82/859664882.db2.gz DJCGBBOKZMSVKH-KRWDZBQOSA-N 0 3 385.464 3.542 20 5 GHBDHN CCOc1ccc([C@H](C)NC[C@H](O)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000611248148 859666708 /nfs/dbraw/zinc/66/67/08/859666708.db2.gz GHHUBILXFUQVNH-WMZOPIPTSA-N 0 3 388.464 3.701 20 5 GHBDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000611555162 859803831 /nfs/dbraw/zinc/80/38/31/859803831.db2.gz PNGWMSAPWUVZNO-VXGBXAGGSA-N 0 3 387.358 3.556 20 5 GHBDHN CN(CCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Cc1ccncc1 ZINC000552112044 859813307 /nfs/dbraw/zinc/81/33/07/859813307.db2.gz HRNIQEPETIIUQE-UHFFFAOYSA-N 0 3 398.488 3.799 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)C(C[C@H]1CCCO1)C(F)(F)F ZINC000602381774 860003312 /nfs/dbraw/zinc/00/33/12/860003312.db2.gz ILTHSUBSWDEBSO-ZWNOBZJWSA-N 0 3 383.326 3.829 20 5 GHBDHN C[C@H](NC[C@H](O)COc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000154289052 860048139 /nfs/dbraw/zinc/04/81/39/860048139.db2.gz VVHASNOELYZVGK-FZMZJTMJSA-N 0 3 385.247 3.992 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNC3CCN(Cc4ccc(F)cc4)CC3)nc2c1 ZINC000602518272 860070897 /nfs/dbraw/zinc/07/08/97/860070897.db2.gz ORKBJOCYXAEDEE-UHFFFAOYSA-N 0 3 384.411 3.629 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)nc1 ZINC000128905250 860094122 /nfs/dbraw/zinc/09/41/22/860094122.db2.gz QLEUFYTZYOQKPJ-INIZCTEOSA-N 0 3 398.854 3.720 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000054224829 860136365 /nfs/dbraw/zinc/13/63/65/860136365.db2.gz YVBGUFNTDIGHHI-HOCLYGCPSA-N 0 3 385.489 3.882 20 5 GHBDHN Cn1c(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)nc2cc(F)ccc21 ZINC000123913004 860146001 /nfs/dbraw/zinc/14/60/01/860146001.db2.gz KWPLZUNGTFKQCG-UHFFFAOYSA-N 0 3 394.353 3.554 20 5 GHBDHN C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000555229997 860272015 /nfs/dbraw/zinc/27/20/15/860272015.db2.gz SFHQETSTLSJWMH-UGSOOPFHSA-N 0 3 375.856 3.771 20 5 GHBDHN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000568684696 860507128 /nfs/dbraw/zinc/50/71/28/860507128.db2.gz YTQKOILKMSYOKH-QFBILLFUSA-N 0 3 385.855 3.660 20 5 GHBDHN CN1Cc2ccccc2[C@H](N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000598943397 860683297 /nfs/dbraw/zinc/68/32/97/860683297.db2.gz UALUBMIGAKIFRE-DLVCFXQMSA-N 0 3 379.460 3.609 20 5 GHBDHN COc1ccc([C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])N(C)C)cc1OC ZINC000599017067 860741804 /nfs/dbraw/zinc/74/18/04/860741804.db2.gz WRDMQTWCLOUSOW-GOSISDBHSA-N 0 3 396.447 3.875 20 5 GHBDHN CCC[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125766092 860771363 /nfs/dbraw/zinc/77/13/63/860771363.db2.gz XQUQQXWQOKHIER-LJQANCHMSA-N 0 3 376.478 3.770 20 5 GHBDHN CN(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000555433314 860884106 /nfs/dbraw/zinc/88/41/06/860884106.db2.gz KZKBXKDQGQEYQO-MRXNPFEDSA-N 0 3 380.807 3.812 20 5 GHBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2)c1 ZINC000126537220 861071202 /nfs/dbraw/zinc/07/12/02/861071202.db2.gz KRKOZJYGIKLIQN-CVEARBPZSA-N 0 3 382.464 3.873 20 5 GHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000603774639 861185028 /nfs/dbraw/zinc/18/50/28/861185028.db2.gz PBUMMOHRTXBAQB-HXUWFJFHSA-N 0 3 396.491 3.501 20 5 GHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000603774638 861185187 /nfs/dbraw/zinc/18/51/87/861185187.db2.gz PBUMMOHRTXBAQB-FQEVSTJZSA-N 0 3 396.491 3.501 20 5 GHBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475312288 864763384 /nfs/dbraw/zinc/76/33/84/864763384.db2.gz MEDFDYPNSBERRS-SFHVURJKSA-N 0 3 387.867 3.524 20 5 GHBDHN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000480559699 864862714 /nfs/dbraw/zinc/86/27/14/864862714.db2.gz VJGIMDDDGQHDLK-IBGZPJMESA-N 0 3 397.475 3.648 20 5 GHBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792934094 881825901 /nfs/dbraw/zinc/82/59/01/881825901.db2.gz LFXIOZDFQLIQEK-CZUORRHYSA-N 0 3 376.840 3.758 20 5 GHBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000608877184 865784427 /nfs/dbraw/zinc/78/44/27/865784427.db2.gz QQICTGTYUGGODJ-WMZOPIPTSA-N 0 3 382.464 3.596 20 5 GHBDHN CCOc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000609017914 865893032 /nfs/dbraw/zinc/89/30/32/865893032.db2.gz KETSMDRIKCNGLV-LJQANCHMSA-N 0 3 397.475 3.951 20 5 GHBDHN C[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1Cc1ccccc1 ZINC000534248131 866368174 /nfs/dbraw/zinc/36/81/74/866368174.db2.gz ORKLYCFFDFBTKE-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN C[C@@H](OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000920268868 882003888 /nfs/dbraw/zinc/00/38/88/882003888.db2.gz RHCKXCSKLIYHKM-WBMJQRKESA-N 0 3 388.807 3.906 20 5 GHBDHN CCOc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000618578632 871730480 /nfs/dbraw/zinc/73/04/80/871730480.db2.gz POWSQTHHRNOYTP-KURKYZTESA-N 0 3 386.452 3.787 20 5 GHBDHN C[C@@H](C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182536048 872521036 /nfs/dbraw/zinc/52/10/36/872521036.db2.gz OQGNZEULKSKZJI-QRWLVFNGSA-N 0 3 385.439 3.791 20 5 GHBDHN C[C@H](C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182536029 872521316 /nfs/dbraw/zinc/52/13/16/872521316.db2.gz OQGNZEULKSKZJI-YWZLYKJASA-N 0 3 385.439 3.791 20 5 GHBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000619567148 872745547 /nfs/dbraw/zinc/74/55/47/872745547.db2.gz VNOJCEDQMRGQCZ-SFHVURJKSA-N 0 3 382.464 3.895 20 5 GHBDHN CCCN(CCN(C)C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000478394427 872932878 /nfs/dbraw/zinc/93/28/78/872932878.db2.gz AGXXLSMGHPFDGC-MRXNPFEDSA-N 0 3 399.495 3.577 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000775692758 872948241 /nfs/dbraw/zinc/94/82/41/872948241.db2.gz FLMMHLSNPBJKQP-CZUORRHYSA-N 0 3 381.448 3.907 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000463965734 872979561 /nfs/dbraw/zinc/97/95/61/872979561.db2.gz AXNUOIHPDQZIQL-SFHVURJKSA-N 0 3 382.464 3.950 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000541610572 873946730 /nfs/dbraw/zinc/94/67/30/873946730.db2.gz ORKXZIFRFQWWDU-UXLLHSPISA-N 0 3 385.439 3.789 20 5 GHBDHN COCC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000541648231 874016328 /nfs/dbraw/zinc/01/63/28/874016328.db2.gz FEGWXNDRFADXSB-KRWDZBQOSA-N 0 3 375.425 3.501 20 5 GHBDHN C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000448956433 874254980 /nfs/dbraw/zinc/25/49/80/874254980.db2.gz ODZGRGFQNSARMV-CYBMUJFWSA-N 0 3 395.381 3.864 20 5 GHBDHN C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000448956434 874255010 /nfs/dbraw/zinc/25/50/10/874255010.db2.gz ODZGRGFQNSARMV-ZDUSSCGKSA-N 0 3 395.381 3.864 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000769918752 874341727 /nfs/dbraw/zinc/34/17/27/874341727.db2.gz AJBPQNUJGADLHO-INIZCTEOSA-N 0 3 381.448 3.907 20 5 GHBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464843105 874616038 /nfs/dbraw/zinc/61/60/38/874616038.db2.gz PZWSLLKIHXECRV-MSOLQXFVSA-N 0 3 396.491 3.518 20 5 GHBDHN COc1cc(CNC[C@H]2CCCC2(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000449495352 874952595 /nfs/dbraw/zinc/95/25/95/874952595.db2.gz OIAYHWTVTVXEIW-LLVKDONJSA-N 0 3 380.338 3.772 20 5 GHBDHN C[NH+]1CCC(COc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2F)CC1 ZINC001201229422 875565841 /nfs/dbraw/zinc/56/58/41/875565841.db2.gz NDXNUFVXTGEAMO-UHFFFAOYSA-N 0 3 375.400 3.904 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443862491 876057311 /nfs/dbraw/zinc/05/73/11/876057311.db2.gz NJRXEGPKJCTGIF-UHFFFAOYSA-N 0 3 395.381 3.818 20 5 GHBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000537659257 883007566 /nfs/dbraw/zinc/00/75/66/883007566.db2.gz RSVXLVMKHZUDRR-OAHLLOKOSA-N 0 3 387.505 3.868 20 5 GHBDHN O=C(OCC1CCN(Cc2ccco2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000772684892 876753814 /nfs/dbraw/zinc/75/38/14/876753814.db2.gz QEEZWFSAMHFKJN-UHFFFAOYSA-N 0 3 378.812 3.910 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)N(C)C)cc1 ZINC000109290323 876862517 /nfs/dbraw/zinc/86/25/17/876862517.db2.gz QNEKFHKQQHIFIU-OAQYLSRUSA-N 0 3 396.491 3.536 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)OCC2CCN(Cc3ccco3)CC2)c1 ZINC000772698661 877333144 /nfs/dbraw/zinc/33/31/44/877333144.db2.gz NZOLNBFAPPLIJX-UHFFFAOYSA-N 0 3 390.461 3.979 20 5 GHBDHN CN(CCOc1ccc(C(F)(F)F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000787340292 877362759 /nfs/dbraw/zinc/36/27/59/877362759.db2.gz BVXZVBASCWSJGI-KRWDZBQOSA-N 0 3 384.354 3.658 20 5 GHBDHN COc1cc(Br)ccc1[C@@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787346680 877365744 /nfs/dbraw/zinc/36/57/44/877365744.db2.gz WQGZUVNCYPPFOH-BDJLRTHQSA-N 0 3 395.253 3.750 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551541234 877369975 /nfs/dbraw/zinc/36/99/75/877369975.db2.gz VWDAGHOUJHKTDD-LJQANCHMSA-N 0 3 385.464 3.760 20 5 GHBDHN COC[C@@H](CCO)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000610090186 877386677 /nfs/dbraw/zinc/38/66/77/877386677.db2.gz RVZPAPVLHRLBAT-OAHLLOKOSA-N 0 3 380.828 3.528 20 5 GHBDHN COc1cccc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1Cl ZINC000851108051 877414365 /nfs/dbraw/zinc/41/43/65/877414365.db2.gz IKSCVCDKYLKWPS-ZMZPIMSZSA-N 0 3 381.787 3.980 20 5 GHBDHN Cc1c(Br)cncc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000851107763 877414456 /nfs/dbraw/zinc/41/44/56/877414456.db2.gz ALEWLSLVDQQYFA-MEBBXXQBSA-N 0 3 397.200 3.855 20 5 GHBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000537854473 878434747 /nfs/dbraw/zinc/43/47/47/878434747.db2.gz DMZWBADVFXIPOX-INIZCTEOSA-N 0 3 381.354 3.704 20 5 GHBDHN Cc1cc(NCC2(N3CCCC3)CCOCC2)c(Br)cc1[N+](=O)[O-] ZINC000616057535 878443924 /nfs/dbraw/zinc/44/39/24/878443924.db2.gz JEIKOLGVTBBHJH-UHFFFAOYSA-N 0 3 398.301 3.723 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000538237796 879099766 /nfs/dbraw/zinc/09/97/66/879099766.db2.gz LQAMWVNTHGAAJZ-OAHLLOKOSA-N 0 3 379.526 3.946 20 5 GHBDHN CN1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)c2ccccc2)CC1 ZINC000068910744 879240017 /nfs/dbraw/zinc/24/00/17/879240017.db2.gz IMFQVBRJEAODEK-OAQYLSRUSA-N 0 3 391.475 3.544 20 5 GHBDHN CCOc1cc(CNC2(c3ccc(OC)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000617212574 879512575 /nfs/dbraw/zinc/51/25/75/879512575.db2.gz OLBODYRDYNWCDF-UHFFFAOYSA-N 0 3 386.448 3.798 20 5 GHBDHN C[C@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494025232 879834295 /nfs/dbraw/zinc/83/42/95/879834295.db2.gz AIDWTXQYPULMCF-LAUBAEHRSA-N 0 3 396.491 3.566 20 5 GHBDHN CSc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494039138 879874151 /nfs/dbraw/zinc/87/41/51/879874151.db2.gz RNSKGLGIUYWJLA-WMLDXEAASA-N 0 3 385.489 3.710 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494069004 879892694 /nfs/dbraw/zinc/89/26/94/879892694.db2.gz MALLAPNXMQBZPZ-WMLDXEAASA-N 0 3 387.867 3.949 20 5 GHBDHN CC(C)(C)OC(=O)NCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335419 880519040 /nfs/dbraw/zinc/51/90/40/880519040.db2.gz QDCPFOVBUIOQPG-UHFFFAOYSA-N 0 3 392.481 3.723 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609447810 883205280 /nfs/dbraw/zinc/20/52/80/883205280.db2.gz COVIIPVPPIDVPO-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813756 883375854 /nfs/dbraw/zinc/37/58/54/883375854.db2.gz UALSPBRCCBHQQT-JQWIXIFHSA-N 0 3 388.346 3.585 20 5 GHBDHN CC(C)(C)OC(=O)N1CC(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000859219152 883672898 /nfs/dbraw/zinc/67/28/98/883672898.db2.gz QOQWGUANASGCEQ-UHFFFAOYSA-N 0 3 375.469 3.816 20 5 GHBDHN Cc1ccc([C@H](C)N[C@H](C)Cn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000556261438 884272375 /nfs/dbraw/zinc/27/23/75/884272375.db2.gz SBVJRIZQICJOIH-OLZOCXBDSA-N 0 3 394.269 3.567 20 5 GHBDHN CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CN2CCC1CC2 ZINC000494952334 884278597 /nfs/dbraw/zinc/27/85/97/884278597.db2.gz CUBQAPCZLUDJLP-HXUWFJFHSA-N 0 3 397.500 3.912 20 5 GHBDHN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1C ZINC000498483194 884558280 /nfs/dbraw/zinc/55/82/80/884558280.db2.gz XJVBRDGFYRBFQO-KBPBESRZSA-N 0 3 388.493 3.711 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248906206 885187606 /nfs/dbraw/zinc/18/76/06/885187606.db2.gz UWDXEAGOPRZLDG-CRAIPNDOSA-N 0 3 382.464 3.854 20 5 GHBDHN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)C(C[C@H]1CCCO1)C(F)(F)F ZINC001130956803 885451685 /nfs/dbraw/zinc/45/16/85/885451685.db2.gz HRNJHUQHVHCPKB-TZMCWYRMSA-N 0 3 383.326 3.829 20 5 GHBDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000495369170 885541334 /nfs/dbraw/zinc/54/13/34/885541334.db2.gz ONJCNBLOHDYCLK-ABAIWWIYSA-N 0 3 384.274 3.806 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000807683231 885633518 /nfs/dbraw/zinc/63/35/18/885633518.db2.gz XOSVGTAMCZSANQ-DOMZBBRYSA-N 0 3 381.379 3.525 20 5 GHBDHN CCN1CCN(CCCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000915108924 885756418 /nfs/dbraw/zinc/75/64/18/885756418.db2.gz NFPYRABMNNRXDQ-UHFFFAOYSA-N 0 3 394.825 3.707 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N(C)[C@H]3CCN(C4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000498907530 886079240 /nfs/dbraw/zinc/07/92/40/886079240.db2.gz FDAJLWNJOXUDPZ-IBGZPJMESA-N 0 3 394.475 3.828 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000808787833 886780595 /nfs/dbraw/zinc/78/05/95/886780595.db2.gz CFKZOAJRZUFGFU-BHIFYINESA-N 0 3 378.428 3.693 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000174802876 887052739 /nfs/dbraw/zinc/05/27/39/887052739.db2.gz VNLDAFTUJHUISO-IBGZPJMESA-N 0 3 376.840 3.825 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C(C)C)[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000794601921 887666764 /nfs/dbraw/zinc/66/67/64/887666764.db2.gz GUGHEVHTGCDKAZ-CWFSZBLJSA-N 0 3 385.464 3.578 20 5 GHBDHN O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532701927 888321893 /nfs/dbraw/zinc/32/18/93/888321893.db2.gz CDMGIRGVCZRCHL-NRFANRHFSA-N 0 3 383.423 3.754 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccccc1F)C(C)C ZINC000532928950 889301329 /nfs/dbraw/zinc/30/13/29/889301329.db2.gz HPUQELCANQEMJX-UHFFFAOYSA-N 0 3 389.427 3.982 20 5 GHBDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000454758785 889697981 /nfs/dbraw/zinc/69/79/81/889697981.db2.gz LAURCDYBYJXRIQ-QZTJIDSGSA-N 0 3 396.491 3.819 20 5 GHBDHN Cc1ccc(CN2CCCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)cc1 ZINC001184680634 913385330 /nfs/dbraw/zinc/38/53/30/913385330.db2.gz AOBCCDXPQLUSQF-UHFFFAOYSA-N 0 3 380.492 3.889 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094601 890324000 /nfs/dbraw/zinc/32/40/00/890324000.db2.gz OOBGODNVNGXWGP-BXWFABGCSA-N 0 3 382.464 3.618 20 5 GHBDHN CCN1CCN(Cc2ccccc2CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001184831393 913469560 /nfs/dbraw/zinc/46/95/60/913469560.db2.gz VJXDQTRWCYKAQX-UHFFFAOYSA-N 0 3 388.899 3.998 20 5 GHBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001170682641 890811482 /nfs/dbraw/zinc/81/14/82/890811482.db2.gz PVCGQZZRBNKVAI-JTQLQIEISA-N 0 3 388.225 3.625 20 5 GHBDHN COc1ccc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001133441759 890960506 /nfs/dbraw/zinc/96/05/06/890960506.db2.gz RMVUBMXIQJLSEC-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000812840266 891029241 /nfs/dbraw/zinc/02/92/41/891029241.db2.gz GZBDZXNDQLHGPT-QUIPCFFLSA-N 0 3 377.441 3.655 20 5 GHBDHN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111925 891305283 /nfs/dbraw/zinc/30/52/83/891305283.db2.gz XUZLPNNQCREEBF-AWEZNQCLSA-N 0 3 388.445 3.548 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2sccc2[C@H]1C ZINC000026335652 891349298 /nfs/dbraw/zinc/34/92/98/891349298.db2.gz POCBVKYKDHQECH-GFCCVEGCSA-N 0 3 375.450 3.613 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 ZINC000497385639 891428857 /nfs/dbraw/zinc/42/88/57/891428857.db2.gz IRZIOUVGJRDKSC-UHFFFAOYSA-N 0 3 387.480 3.998 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)NC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001134556122 893076164 /nfs/dbraw/zinc/07/61/64/893076164.db2.gz NIPGTAUZVYSPRE-INIZCTEOSA-N 0 3 379.526 3.947 20 5 GHBDHN CN1CCCC[C@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001134764019 893277952 /nfs/dbraw/zinc/27/79/52/893277952.db2.gz CVVKPXQJSREAJC-KRWDZBQOSA-N 0 3 385.489 3.960 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(N[C@@H]3CSc4ccc(Br)cc43)C2)c1 ZINC000877483252 893638378 /nfs/dbraw/zinc/63/83/78/893638378.db2.gz RBIRDWSICTUWFK-QIMFLAQGSA-N 0 3 395.282 3.694 20 5 GHBDHN CC(C)(C)[C@@H](COc1ccccc1F)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000537292655 894718180 /nfs/dbraw/zinc/71/81/80/894718180.db2.gz YXHTYGGKWVNDFU-GOSISDBHSA-N 0 3 389.427 3.756 20 5 GHBDHN C[C@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000565307924 895521796 /nfs/dbraw/zinc/52/17/96/895521796.db2.gz OZJMKYQNKVYJHQ-YCRPNKLZSA-N 0 3 385.439 3.618 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000565444617 895630489 /nfs/dbraw/zinc/63/04/89/895630489.db2.gz LBESVWDUGQEBIP-AEFFLSMTSA-N 0 3 382.464 3.996 20 5 GHBDHN CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCCC2)CC1 ZINC000565780917 895872709 /nfs/dbraw/zinc/87/27/09/895872709.db2.gz RASVHUHYORQQKO-UHFFFAOYSA-N 0 3 398.511 3.574 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=C(c2ccc(O)cc2)CC1 ZINC000041895232 896894896 /nfs/dbraw/zinc/89/48/96/896894896.db2.gz FKXRJOWBJOLKKD-UHFFFAOYSA-N 0 3 381.432 3.727 20 5 GHBDHN CN1CCN(C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000567676723 897331332 /nfs/dbraw/zinc/33/13/32/897331332.db2.gz OSSVCEGZGLKDRT-DHIUTWEWSA-N 0 3 394.519 3.551 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@H](c4nnc5n4CCC5)C3)o2)c1 ZINC000119846521 899693517 /nfs/dbraw/zinc/69/35/17/899693517.db2.gz VOLQJOYYJLTQDC-MRXNPFEDSA-N 0 3 393.447 3.772 20 5 GHBDHN CC(C)(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000572428682 900183917 /nfs/dbraw/zinc/18/39/17/900183917.db2.gz IAVKGQYQZRZKJZ-SFHVURJKSA-N 0 3 381.476 3.653 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000576243367 901860113 /nfs/dbraw/zinc/86/01/13/901860113.db2.gz DUQNKIUYHFMORE-OAHLLOKOSA-N 0 3 399.274 3.816 20 5 GHBDHN Cc1c(CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000576578014 902107039 /nfs/dbraw/zinc/10/70/39/902107039.db2.gz AARHPNUHPSBCLJ-KSSFIOAISA-N 0 3 378.856 3.785 20 5 GHBDHN CCOc1ccc(OCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845873430 902475074 /nfs/dbraw/zinc/47/50/74/902475074.db2.gz UDJONGXXFYCXQX-DJJJIMSYSA-N 0 3 377.368 3.553 20 5 GHBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])oc2c1C(=O)CCC2 ZINC000845875410 902479261 /nfs/dbraw/zinc/47/92/61/902479261.db2.gz MFVICXWKVOHJGR-BBATYDOGSA-N 0 3 375.352 3.809 20 5 GHBDHN CC([C@@H](OC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876017 902481217 /nfs/dbraw/zinc/48/12/17/902481217.db2.gz MPHOTVWTOPWCRU-WKPIXPDZSA-N 0 3 380.397 3.697 20 5 GHBDHN CC([C@@H](OC(=O)CCC(=O)c1cccc(F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845879544 902482198 /nfs/dbraw/zinc/48/21/98/902482198.db2.gz VRTOZGLLWNDWSI-HXPMCKFVSA-N 0 3 377.343 3.877 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1F)[N+](=O)[O-] ZINC000845880190 902483950 /nfs/dbraw/zinc/48/39/50/902483950.db2.gz ZGGIJOFIQFIRSF-HXPMCKFVSA-N 0 3 386.379 3.664 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882028 902486374 /nfs/dbraw/zinc/48/63/74/902486374.db2.gz QHIJREWUWGJAMA-QDEZUTFSSA-N 0 3 395.427 3.833 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)OCCc1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845883255 902486415 /nfs/dbraw/zinc/48/64/15/902486415.db2.gz RDVGFXBGNWDUQT-YZVOILCLSA-N 0 3 375.396 3.723 20 5 GHBDHN CC([C@H](OC(=O)[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883511 902486445 /nfs/dbraw/zinc/48/64/45/902486445.db2.gz UEPFUNZSNSPNRD-LPMFXHHGSA-N 0 3 390.386 3.741 20 5 GHBDHN CC([C@H](OC(=O)COCc1cccc(Cl)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845882955 902488336 /nfs/dbraw/zinc/48/83/36/902488336.db2.gz XGKRJZXFCCVYGG-XIKOKIGWSA-N 0 3 381.787 3.945 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000152620995 904286648 /nfs/dbraw/zinc/28/66/48/904286648.db2.gz DECQMAJGCTYDAO-GJZGRUSLSA-N 0 3 381.436 3.986 20 5 GHBDHN O=C(c1ccco1)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290882925 914856817 /nfs/dbraw/zinc/85/68/17/914856817.db2.gz MGKFKIYPYUZGLA-UHFFFAOYSA-N 0 3 398.246 3.889 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(c3ccc(Cl)cn3)CC1)CC2 ZINC001172918926 905990816 /nfs/dbraw/zinc/99/08/16/905990816.db2.gz DIFBIHJROZWRNJ-GOSISDBHSA-N 0 3 386.883 3.713 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](n1nc(C(F)(F)F)c3c1CCNC3)CC2 ZINC001172922195 905992394 /nfs/dbraw/zinc/99/23/94/905992394.db2.gz XBUSLKFTBVZERA-CYBMUJFWSA-N 0 3 380.370 3.576 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3c(F)cccc3F)CC2)c(F)c1 ZINC001173007079 906082064 /nfs/dbraw/zinc/08/20/64/906082064.db2.gz JGQRPSCFMJQPST-UHFFFAOYSA-N 0 3 383.345 3.910 20 5 GHBDHN Cc1nc([C@@H](C)NC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cs1 ZINC001173011436 906088823 /nfs/dbraw/zinc/08/88/23/906088823.db2.gz DBAQFFPINHAFMM-SNVBAGLBSA-N 0 3 382.436 3.958 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cccc(C(F)(F)F)n2)c1F ZINC001173187353 906267917 /nfs/dbraw/zinc/26/79/17/906267917.db2.gz ZWAXPIRVYYCOED-JTQLQIEISA-N 0 3 387.333 3.877 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001173223065 906301268 /nfs/dbraw/zinc/30/12/68/906301268.db2.gz XASKWRJHZYDQGS-FHLIZLRMSA-N 0 3 375.469 3.610 20 5 GHBDHN CC(C)N(C)Cc1cnc2n1CCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225342 906307976 /nfs/dbraw/zinc/30/79/76/906307976.db2.gz JJCWZJXUPXFFDW-DLBZAZTESA-N 0 3 385.512 3.639 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001173230717 906314418 /nfs/dbraw/zinc/31/44/18/906314418.db2.gz ZVGASETUJDARJD-HOTGVXAUSA-N 0 3 377.485 3.857 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173230692 906314601 /nfs/dbraw/zinc/31/46/01/906314601.db2.gz ZKNVJDBIAFDLOX-IIDMSEBBSA-N 0 3 377.485 3.761 20 5 GHBDHN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC000190801926 906319978 /nfs/dbraw/zinc/31/99/78/906319978.db2.gz YGZIEIOMGQDWTJ-UHFFFAOYSA-N 0 3 382.464 3.686 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000185807874 907837820 /nfs/dbraw/zinc/83/78/20/907837820.db2.gz QPPVCMOFQNABBO-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000193682761 908622536 /nfs/dbraw/zinc/62/25/36/908622536.db2.gz YTWPTMONIJILGG-QGZVFWFLSA-N 0 3 391.855 3.863 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000246210040 910171541 /nfs/dbraw/zinc/17/15/41/910171541.db2.gz CAYHKMPFIHHSQW-LEWJYISDSA-N 0 3 398.484 3.926 20 5 GHBDHN O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(CN2CCCC2)c1 ZINC000803486935 923034894 /nfs/dbraw/zinc/03/48/94/923034894.db2.gz VJEHQCCKNDYZCK-UHFFFAOYSA-N 0 3 376.359 3.826 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([C@H](O)c4ncc[nH]4)CC3)o2)cc1 ZINC000369135012 923138989 /nfs/dbraw/zinc/13/89/89/923138989.db2.gz RSCZFRZUINYLHB-IBGZPJMESA-N 0 3 382.420 3.524 20 5 GHBDHN O=C(CN[C@@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371543437 924651630 /nfs/dbraw/zinc/65/16/30/924651630.db2.gz BMWAJYJOIHUBPS-LIRRHRJNSA-N 0 3 389.839 3.554 20 5 GHBDHN CC(C)N1CCN(c2ccc(C(=O)OCc3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000749283702 927033444 /nfs/dbraw/zinc/03/34/44/927033444.db2.gz ORHCECFCSZPQJR-UHFFFAOYSA-N 0 3 389.477 3.544 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c2ccccc2)c1 ZINC000374792810 927528512 /nfs/dbraw/zinc/52/85/12/927528512.db2.gz LRVQPHACWYNXQY-CEMLEFRQSA-N 0 3 396.487 3.842 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000544119686 928829593 /nfs/dbraw/zinc/82/95/93/928829593.db2.gz CZVNDDORWHBXLZ-IIBYNOLFSA-N 0 3 388.439 3.995 20 5 GHBDHN C[C@@H](C(=O)N1CCN(C2CCC(C)CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544444816 929192936 /nfs/dbraw/zinc/19/29/36/929192936.db2.gz XHCPQTYRVLMJGB-HWOWSKLDSA-N 0 3 377.460 3.560 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000544611104 929343283 /nfs/dbraw/zinc/34/32/83/929343283.db2.gz IYXLIBJZJQQAER-HNNXBMFYSA-N 0 3 387.402 3.526 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470128859 930393105 /nfs/dbraw/zinc/39/31/05/930393105.db2.gz QDSCZSRTTJZEMX-UHFFFAOYSA-N 0 3 396.369 3.608 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000470174823 930433056 /nfs/dbraw/zinc/43/30/56/930433056.db2.gz WGHIEEYEYOYAJN-VKAVYKQESA-N 0 3 379.460 3.893 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000797518485 932318416 /nfs/dbraw/zinc/31/84/16/932318416.db2.gz GOEFMCXCWOHHEQ-LJQANCHMSA-N 0 3 381.473 3.632 20 5 GHBDHN COc1cc(CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000799202327 932914116 /nfs/dbraw/zinc/91/41/16/932914116.db2.gz PPQKTYDXUVXWHJ-MRXNPFEDSA-N 0 3 381.473 3.632 20 5 GHBDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000799363081 932972058 /nfs/dbraw/zinc/97/20/58/932972058.db2.gz XXVXDTOJEISBGP-INIZCTEOSA-N 0 3 393.484 3.600 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000929184768 933273058 /nfs/dbraw/zinc/27/30/58/933273058.db2.gz CHZNFNXIUWLEEP-UHFFFAOYSA-N 0 3 385.489 3.711 20 5 GHBDHN CCCN(C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000560708985 933483865 /nfs/dbraw/zinc/48/38/65/933483865.db2.gz OEKNWANFYKYFJV-LJQANCHMSA-N 0 3 389.883 3.990 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CCSc1ccncc1)[C@H]1CC[C@H](O)CC1 ZINC000930811196 934255750 /nfs/dbraw/zinc/25/57/50/934255750.db2.gz VEHYXRZDEIXYOA-IYARVYRRSA-N 0 3 387.505 3.888 20 5 GHBDHN O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(CN3CCSCC3)cc2)n1 ZINC000544914706 1015205713 /nfs/dbraw/zinc/20/57/13/1015205713.db2.gz VLYZWMRTSGIHKR-UHFFFAOYSA-N 0 3 396.472 3.784 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(CN2CCN(C)CC2)c1 ZINC000468635262 1015862895 /nfs/dbraw/zinc/86/28/95/1015862895.db2.gz NLCOHPSNGAMUJG-QGOAFFKASA-N 0 3 380.492 3.858 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000545828506 1016467902 /nfs/dbraw/zinc/46/79/02/1016467902.db2.gz YAMKYKLJNKPHBU-WBVHZDCISA-N 0 3 399.466 3.963 20 5 GHBDHN COC(=O)c1ccc(O[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001227296350 1032359807 /nfs/dbraw/zinc/35/98/07/1032359807.db2.gz WIHZGJCSXRWSMW-MGPUTAFESA-N 0 3 384.432 3.671 20 5 GHBDHN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCCN1C1CCCC1 ZINC000576656288 1020049453 /nfs/dbraw/zinc/04/94/53/1020049453.db2.gz RLNWESQMYAYDHL-OAHLLOKOSA-N 0 3 382.258 3.703 20 5 GHBDHN CN(C)c1noc([C@@H]2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000194922237 1020968841 /nfs/dbraw/zinc/96/88/41/1020968841.db2.gz DUNWCVQNZHNUOM-CQSZACIVSA-N 0 3 397.435 3.683 20 5 GHBDHN Cc1cc2[nH]c(O[C@H]3CCCN([C@H](C)c4ccccn4)C3)nc2cc1[N+](=O)[O-] ZINC001228674179 1033037256 /nfs/dbraw/zinc/03/72/56/1033037256.db2.gz INQSZQHIGSFFAM-CABCVRRESA-N 0 3 381.436 3.779 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000754169119 1022519984 /nfs/dbraw/zinc/51/99/84/1022519984.db2.gz LGQGQHFUGQWFJY-VCYKGMCDSA-N 0 3 379.460 3.950 20 5 GHBDHN CN1CCN(Cc2ccc(Nc3c(N)c4cccnc4c4ncccc43)cc2)CC1 ZINC001204758306 1033072961 /nfs/dbraw/zinc/07/29/61/1033072961.db2.gz FNYCKYRUHIRZPX-UHFFFAOYSA-N 0 3 398.514 3.856 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000836501993 1023038847 /nfs/dbraw/zinc/03/88/47/1023038847.db2.gz XQFHBOMQNXITBX-SFHVURJKSA-N 0 3 396.491 3.882 20 5 GHBDHN O=[N+]([O-])c1ccc2ccnc(OC[C@H]3CN(Cc4ccccc4)CCCO3)c2c1 ZINC001229007150 1033228221 /nfs/dbraw/zinc/22/82/21/1033228221.db2.gz GDQPVKDPLMDLED-HXUWFJFHSA-N 0 3 393.443 3.813 20 5 GHBDHN COCCN(C)[C@H](CNc1ncc([N+](=O)[O-])c(C)c1C)c1ccc(Cl)cc1 ZINC001163384559 1026169865 /nfs/dbraw/zinc/16/98/65/1026169865.db2.gz JUDMWUGIAKVCFA-GOSISDBHSA-N 0 3 392.887 3.991 20 5 GHBDHN CN(C)Cc1cccc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1 ZINC000839861889 1026317627 /nfs/dbraw/zinc/31/76/27/1026317627.db2.gz BEEIKMWPPKIZDH-INIZCTEOSA-N 0 3 399.344 3.829 20 5 GHBDHN CCC1(N2CCOCC2)CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001163852141 1026339624 /nfs/dbraw/zinc/33/96/24/1026339624.db2.gz MMDSVPYDVDNGRL-UHFFFAOYSA-N 0 3 387.402 3.695 20 5 GHBDHN CC(C)N1CCN(CCCSc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000839987010 1026394362 /nfs/dbraw/zinc/39/43/62/1026394362.db2.gz UWDJTOWSZVNQEC-UHFFFAOYSA-N 0 3 380.539 3.713 20 5 GHBDHN Cc1ccc(CN2CCO[C@@H](CNCc3c(C)ccc([N+](=O)[O-])c3C)C2)cc1 ZINC001203403732 1027314349 /nfs/dbraw/zinc/31/43/49/1027314349.db2.gz YKZQGUQPTOVJDW-FQEVSTJZSA-N 0 3 383.492 3.511 20 5 GHBDHN Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC001214489633 1028757629 /nfs/dbraw/zinc/75/76/29/1028757629.db2.gz GSPDEOVLJHCBKT-INIZCTEOSA-N 0 3 388.855 3.953 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001150120176 1030407608 /nfs/dbraw/zinc/40/76/08/1030407608.db2.gz UEGMJMDYZCAOMS-YOEHRIQHSA-N 0 3 391.537 3.946 20 5 GHBDHN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)[C@H]1CNC[C@@H](F)C1 ZINC001219207240 1031305594 /nfs/dbraw/zinc/30/55/94/1031305594.db2.gz CHVWKQZTILUWCJ-SJORKVTESA-N 0 3 380.467 3.649 20 5 GHBDHN C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@](C)(O)c1ccccc1 ZINC001206517351 1033885025 /nfs/dbraw/zinc/88/50/25/1033885025.db2.gz RGGNVRTXARDNQZ-BONVTDFDSA-N 0 3 385.283 3.805 20 5 GHBDHN Cc1nc(Cl)c([N+](=O)[O-])c(NCC2CCN(Cc3ccccc3F)CC2)n1 ZINC001161193483 1035174864 /nfs/dbraw/zinc/17/48/64/1035174864.db2.gz MQBKBTNHQRUMPO-UHFFFAOYSA-N 0 3 393.850 3.810 20 5 GHBDHN Cc1cc(Cl)nc(NCC2CCN(Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC001161243248 1035189557 /nfs/dbraw/zinc/18/95/57/1035189557.db2.gz OPJIDEARFZGFIR-UHFFFAOYSA-N 0 3 375.860 3.671 20 5 GHBDHN O=[N+]([O-])c1ccc2ccc(NCC3CCN(Cc4ccccn4)CC3)nc2c1 ZINC001161242734 1035189584 /nfs/dbraw/zinc/18/95/84/1035189584.db2.gz DZFZWXJDVXCSKT-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H](c2ccccc2)C1 ZINC001254475145 1040262010 /nfs/dbraw/zinc/26/20/10/1040262010.db2.gz AWVCTYYAHBTBLL-JOCHJYFZSA-N 0 3 380.492 3.552 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cn(Cc3ccc(Cl)cc3)cn1)C2 ZINC001254588250 1040362789 /nfs/dbraw/zinc/36/27/89/1040362789.db2.gz WXJLSIITXNAUSS-GOSISDBHSA-N 0 3 382.851 3.750 20 5 GHBDHN COc1c(O)ccc(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001262356263 1046246251 /nfs/dbraw/zinc/24/62/51/1046246251.db2.gz WNSSJWXGWJYFMZ-XLIONFOSSA-N 0 3 386.448 3.909 20 5 GHBDHN CN(C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001307104326 1049076727 /nfs/dbraw/zinc/07/67/27/1049076727.db2.gz RXMKKSKKJSMMDQ-ZDUSSCGKSA-N 0 3 388.777 3.799 20 5 GHBDHN Cc1ccccc1[C@H]([C@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N(C)C ZINC001307114837 1049083451 /nfs/dbraw/zinc/08/34/51/1049083451.db2.gz QEJKUVNPVOICGI-YWZLYKJASA-N 0 3 394.475 3.858 20 5 GHBDHN CC(C)Oc1cc(CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)ccn1 ZINC001307585808 1049423757 /nfs/dbraw/zinc/42/37/57/1049423757.db2.gz IXNGNECQOLVKKV-UHFFFAOYSA-N 0 3 398.463 3.770 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC001307743313 1049554949 /nfs/dbraw/zinc/55/49/49/1049554949.db2.gz DNHNLKVAIRQWAW-BMGDILEWSA-N 0 3 375.469 3.639 20 5 GHBDHN CN(CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)OC(C)(C)C ZINC001308250174 1049926332 /nfs/dbraw/zinc/92/63/32/1049926332.db2.gz FWBOEARRAPRXST-UHFFFAOYSA-N 0 3 389.399 3.543 20 5 GHBDHN C[C@H](CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001313352186 1053027881 /nfs/dbraw/zinc/02/78/81/1053027881.db2.gz NAADJLHXQNEVSX-VGOFRKELSA-N 0 3 396.491 3.662 20 5 GHBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000848551612 1057173954 /nfs/dbraw/zinc/17/39/54/1057173954.db2.gz RBVRGZGHKTUDBT-AUUYWEPGSA-N 0 3 380.448 3.853 20 5 GHBDHN C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCC[C@H](C)C1 ZINC001441362150 1058765717 /nfs/dbraw/zinc/76/57/17/1058765717.db2.gz PXVWQMAWJMXHLT-UWVGGRQHSA-N 0 3 392.258 3.891 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1C ZINC001435065394 1062263740 /nfs/dbraw/zinc/26/37/40/1062263740.db2.gz TVZUGTMFCSXVJT-UHFFFAOYSA-N 0 3 391.418 3.694 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001435195240 1062377637 /nfs/dbraw/zinc/37/76/37/1062377637.db2.gz ONLIUTXIGKBHGQ-IRLDBZIGSA-N 0 3 395.503 3.944 20 5 GHBDHN O=C(NCCN1CCC2(CCCCC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001457771727 1063354105 /nfs/dbraw/zinc/35/41/05/1063354105.db2.gz AVJJQNKTZVDXQO-UHFFFAOYSA-N 0 3 395.450 3.849 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001458373380 1063769943 /nfs/dbraw/zinc/76/99/43/1063769943.db2.gz RMXLRQDVFPLPBV-DYVFJYSZSA-N 0 3 384.436 3.708 20 5 GHBDHN CCCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)C1CCN(Cc2ccccc2)CC1 ZINC001463364280 1064284499 /nfs/dbraw/zinc/28/44/99/1064284499.db2.gz IXFXSZZSZSRYBI-UHFFFAOYSA-N 0 3 396.491 3.815 20 5 GHBDHN CC(C)(C)CCN1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001464373434 1064976426 /nfs/dbraw/zinc/97/64/26/1064976426.db2.gz AOMZXUDRHRQOHL-UHFFFAOYSA-N 0 3 385.867 3.510 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001465915925 1065920338 /nfs/dbraw/zinc/92/03/38/1065920338.db2.gz OIFGADPVGHAGLJ-HOCLYGCPSA-N 0 3 385.489 3.710 20 5 GHBDHN CC([C@H](OC(=O)c1cnc(N(C)C)c(Cl)c1)c1ccccc1F)[N+](=O)[O-] ZINC000847737405 1065995974 /nfs/dbraw/zinc/99/59/74/1065995974.db2.gz PVBBOMMPFMFNTH-BMIGLBTASA-N 0 3 381.791 3.503 20 5 GHBDHN C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001467693036 1067424582 /nfs/dbraw/zinc/42/45/82/1067424582.db2.gz VBANDQAJZHSATJ-UZLBHIALSA-N 0 3 382.464 3.792 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC001360147799 1068386441 /nfs/dbraw/zinc/38/64/41/1068386441.db2.gz IFYRBSVQZAWYRE-UHFFFAOYSA-N 0 3 391.537 3.693 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001470376425 1068708143 /nfs/dbraw/zinc/70/81/43/1068708143.db2.gz QNPSLVABMWJKHT-DLBZAZTESA-N 0 3 384.480 3.518 20 5 GHBDHN Cc1ccc(CN(C)C[C@@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC001460242751 1068881014 /nfs/dbraw/zinc/88/10/14/1068881014.db2.gz SLFPWFLVAROALB-QGZVFWFLSA-N 0 3 379.254 3.831 20 5 GHBDHN CC(=O)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001472871119 1073704395 /nfs/dbraw/zinc/70/43/95/1073704395.db2.gz UAUMKUSSWSUPIP-KNQAVFIVSA-N 0 3 379.460 3.756 20 5 GHBDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccsc1)c1ccccc1[N+](=O)[O-] ZINC001479443958 1079207774 /nfs/dbraw/zinc/20/77/74/1079207774.db2.gz CDXBUQBYTZZSAC-HNNXBMFYSA-N 0 3 390.509 3.533 20 5 GHBDHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1csc([N+](=O)[O-])c1 ZINC001473840348 1074168662 /nfs/dbraw/zinc/16/86/62/1074168662.db2.gz VZKRDGUUTAUYII-HNNXBMFYSA-N 0 3 385.283 3.502 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCN(C3CCCCC3)C2)cc1Br ZINC001474634322 1074492564 /nfs/dbraw/zinc/49/25/64/1074492564.db2.gz SBUWJULANJLQPK-LLVKDONJSA-N 0 3 388.331 3.915 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000583896294 835212710 /nfs/dbraw/zinc/21/27/10/835212710.db2.gz SGNQDDKKBXCWEY-WMZOPIPTSA-N 0 3 382.464 3.996 20 5 GHBDHN C[C@H](CO[C@@H]1CCOC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000151246420 835316762 /nfs/dbraw/zinc/31/67/62/835316762.db2.gz XTIWFHYQBKHWOS-IUODEOHRSA-N 0 3 380.828 3.792 20 5 GHBDHN COc1ccccc1[C@H]1CCCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612073316 835456994 /nfs/dbraw/zinc/45/69/94/835456994.db2.gz LAHJPRZCIRLNBZ-SJLPKXTDSA-N 0 3 386.448 3.570 20 5 GHBDHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000584163766 835709154 /nfs/dbraw/zinc/70/91/54/835709154.db2.gz GGNIBNOCOAORCL-QGZVFWFLSA-N 0 3 397.456 3.628 20 5 GHBDHN COc1ccc(C[C@@H](C)CN(C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000535615818 835781193 /nfs/dbraw/zinc/78/11/93/835781193.db2.gz GJROJQWZXWQBPV-CVEARBPZSA-N 0 3 385.464 3.741 20 5 GHBDHN CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc21 ZINC001167206943 836905561 /nfs/dbraw/zinc/90/55/61/836905561.db2.gz WVYUDIFNXZWRHH-FQEVSTJZSA-N 0 3 379.460 3.883 20 5 GHBDHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCN(Cc2ccccc2)CC1 ZINC000535698514 844320275 /nfs/dbraw/zinc/32/02/75/844320275.db2.gz GAWSRVVABKKQSW-UHFFFAOYSA-N 0 3 392.459 3.813 20 5 GHBDHN COc1cccc([C@H]2[C@H](NCc3ccc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000549115562 838627032 /nfs/dbraw/zinc/62/70/32/838627032.db2.gz JKJKMIAUTRKVRZ-RTWAWAEBSA-N 0 3 385.439 3.810 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000580109578 838873893 /nfs/dbraw/zinc/87/38/93/838873893.db2.gz GDTMBWCYAWYYPG-UHFFFAOYSA-N 0 3 398.301 3.695 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472715431 839248744 /nfs/dbraw/zinc/24/87/44/839248744.db2.gz RNYWGWAKNMFPSJ-GOSISDBHSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412080499 839386346 /nfs/dbraw/zinc/38/63/46/839386346.db2.gz RBEFAVRIRYOTBN-JLZZUVOBSA-N 0 3 393.484 3.502 20 5 GHBDHN COc1cc(CN[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000584683328 840544287 /nfs/dbraw/zinc/54/42/87/840544287.db2.gz IRYVHMAQPLECLH-APWZRJJASA-N 0 3 393.846 3.931 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500148216 841518126 /nfs/dbraw/zinc/51/81/26/841518126.db2.gz JZXMXTNVPLDBAH-APWZRJJASA-N 0 3 381.476 3.509 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126743375 842014346 /nfs/dbraw/zinc/01/43/46/842014346.db2.gz SHXFWOPIMAEKIE-JKSUJKDBSA-N 0 3 386.471 3.898 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000432331357 842031569 /nfs/dbraw/zinc/03/15/69/842031569.db2.gz MDNWECLKWXQHEI-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cc1 ZINC000549622124 842164488 /nfs/dbraw/zinc/16/44/88/842164488.db2.gz MBUWISSJBSPBOM-INIZCTEOSA-N 0 3 386.839 3.762 20 5 GHBDHN COc1cccc(C[C@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000603867953 861297988 /nfs/dbraw/zinc/29/79/88/861297988.db2.gz GRILPQRZCTWMBR-GOSISDBHSA-N 0 3 384.432 3.677 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000843685351 842638271 /nfs/dbraw/zinc/63/82/71/842638271.db2.gz NLGAMAWGQAUSGB-SZRHCGQDSA-N 0 3 397.475 3.816 20 5 GHBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc2ccccc21 ZINC000538143404 844769049 /nfs/dbraw/zinc/76/90/49/844769049.db2.gz HXXQDYJHKQNGEZ-HNNXBMFYSA-N 0 3 375.428 3.988 20 5 GHBDHN O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000025056763 844777945 /nfs/dbraw/zinc/77/79/45/844777945.db2.gz AZBZGYXFKRXPQN-UHFFFAOYSA-N 0 3 381.432 3.518 20 5 GHBDHN CC[C@@H](N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178462527 844841900 /nfs/dbraw/zinc/84/19/00/844841900.db2.gz OROQAVRZPAGNFK-SCLBCKFNSA-N 0 3 377.466 3.768 20 5 GHBDHN CN(C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000162256280 861541539 /nfs/dbraw/zinc/54/15/39/861541539.db2.gz XBTAIQWPBDFXMB-HXUWFJFHSA-N 0 3 382.464 3.572 20 5 GHBDHN CC1(C)C[C@H](NCCCS(=O)(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433142822 845482248 /nfs/dbraw/zinc/48/22/48/845482248.db2.gz FRCXBYVVYCIQFL-IBGZPJMESA-N 0 3 388.489 3.771 20 5 GHBDHN CC1CCN([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000072006472 846204241 /nfs/dbraw/zinc/20/42/41/846204241.db2.gz ZWGBQVOSOFDFLB-OAQYLSRUSA-N 0 3 397.475 3.563 20 5 GHBDHN C[C@@H](OC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511082796 846461604 /nfs/dbraw/zinc/46/16/04/846461604.db2.gz UTLBCNGATHAGNI-DNVCBOLYSA-N 0 3 392.883 3.861 20 5 GHBDHN COc1cc(CN[C@@H]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000582180736 846591143 /nfs/dbraw/zinc/59/11/43/846591143.db2.gz NWTTYTAWKFGTAV-NWDGAFQWSA-N 0 3 380.338 3.915 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000501575932 847033369 /nfs/dbraw/zinc/03/33/69/847033369.db2.gz CEJHWYUJFKZNMX-MRXNPFEDSA-N 0 3 393.237 3.850 20 5 GHBDHN CC(C)Oc1cc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000413408479 847368374 /nfs/dbraw/zinc/36/83/74/847368374.db2.gz NAMFNLLUCVXOJQ-QGZVFWFLSA-N 0 3 383.448 3.515 20 5 GHBDHN CC(C)C(=O)NCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061014730 848207023 /nfs/dbraw/zinc/20/70/23/848207023.db2.gz GKQQJHYYJVEQBA-UHFFFAOYSA-N 0 3 391.855 3.902 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000611935611 848345091 /nfs/dbraw/zinc/34/50/91/848345091.db2.gz ZVFRZGSUYFGMMB-OAQYLSRUSA-N 0 3 396.491 3.659 20 5 GHBDHN CN(C)C(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000162579803 849200421 /nfs/dbraw/zinc/20/04/21/849200421.db2.gz MEICZQSHQYCFAT-UHFFFAOYSA-N 0 3 391.855 3.808 20 5 GHBDHN C[C@@H](C1CC1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000029724833 862049049 /nfs/dbraw/zinc/04/90/49/862049049.db2.gz WFHKAEKQEHFVRL-JTQLQIEISA-N 0 3 382.258 3.559 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOc3ccc4c(c3)OCO4)o2)cc1 ZINC000518764519 850061185 /nfs/dbraw/zinc/06/11/85/850061185.db2.gz RCBGJYQJEBRFCJ-UHFFFAOYSA-N 0 3 382.372 3.752 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000843740082 850295240 /nfs/dbraw/zinc/29/52/40/850295240.db2.gz KAJWNMKQUYQHDO-PKOBYXMFSA-N 0 3 395.459 3.507 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000514807046 850315767 /nfs/dbraw/zinc/31/57/67/850315767.db2.gz SOQLQVWXWYDIPS-KKSFZXQISA-N 0 3 399.491 3.905 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000487193387 850550674 /nfs/dbraw/zinc/55/06/74/850550674.db2.gz ZHYZJPTWYIRQJE-UGSOOPFHSA-N 0 3 375.856 3.978 20 5 GHBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000515071293 850664913 /nfs/dbraw/zinc/66/49/13/850664913.db2.gz CUOXERQPJPRGSS-VLIAUNLRSA-N 0 3 395.459 3.590 20 5 GHBDHN CCc1ccc(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425002033 850841419 /nfs/dbraw/zinc/84/14/19/850841419.db2.gz FDFKLEMMQSCXPJ-PZJWPPBQSA-N 0 3 379.460 3.504 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434448099 851122199 /nfs/dbraw/zinc/12/21/99/851122199.db2.gz ZDMAMECKJQNOEI-INIZCTEOSA-N 0 3 377.510 3.844 20 5 GHBDHN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H](C)C1 ZINC000436101684 851199857 /nfs/dbraw/zinc/19/98/57/851199857.db2.gz QMXOKPFRDFQPCT-JKSUJKDBSA-N 0 3 377.488 3.532 20 5 GHBDHN CN(C)CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000517636360 852190929 /nfs/dbraw/zinc/19/09/29/852190929.db2.gz SZOZKOWGQWMHKD-UHFFFAOYSA-N 0 3 376.501 3.510 20 5 GHBDHN CC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000436831921 852381054 /nfs/dbraw/zinc/38/10/54/852381054.db2.gz UPSUDINGBHEJIV-IBGZPJMESA-N 0 3 383.448 3.646 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000506299966 852631354 /nfs/dbraw/zinc/63/13/54/852631354.db2.gz YBAKNFLJHASTDZ-GOEBONIOSA-N 0 3 384.436 3.560 20 5 GHBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000507359147 852803344 /nfs/dbraw/zinc/80/33/44/852803344.db2.gz ODIIJEUXNCSJPV-QGZVFWFLSA-N 0 3 396.491 3.811 20 5 GHBDHN O=C1c2ccccc2C(=O)N1CCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490805077 853274321 /nfs/dbraw/zinc/27/43/21/853274321.db2.gz WKMQPLMQEOZFNB-UHFFFAOYSA-N 0 3 393.443 3.636 20 5 GHBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)COCc2ccccc2Cl)C2CC2)cc1 ZINC000490824091 853276760 /nfs/dbraw/zinc/27/67/60/853276760.db2.gz GRNJPLXWZRXLBV-IBGZPJMESA-N 0 3 390.867 3.790 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000171584513 862492067 /nfs/dbraw/zinc/49/20/67/862492067.db2.gz DJASXENOLDAEIV-OAHLLOKOSA-N 0 3 393.484 3.599 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000133432413 862547210 /nfs/dbraw/zinc/54/72/10/862547210.db2.gz WDWQIZFHBSCSBQ-FQEVSTJZSA-N 0 3 385.439 3.937 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C[C@@H](C)O1 ZINC000301517236 855189002 /nfs/dbraw/zinc/18/90/02/855189002.db2.gz CDDMDDCDACUDML-IAGOWNOFSA-N 0 3 398.507 3.859 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H]2c3ccccc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC000473988235 855251432 /nfs/dbraw/zinc/25/14/32/855251432.db2.gz SQPVEOJNZZHPCG-SZNDQCEHSA-N 0 3 384.432 3.560 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441066 855421671 /nfs/dbraw/zinc/42/16/71/855421671.db2.gz AGCUXWFAUKEDTM-DOTOQJQBSA-N 0 3 377.510 3.509 20 5 GHBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)[C@H]2C1 ZINC000590447567 855425651 /nfs/dbraw/zinc/42/56/51/855425651.db2.gz XVVPZUQGCSVRNN-QAPCUYQASA-N 0 3 389.521 3.653 20 5 GHBDHN C[C@@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000465666044 855544704 /nfs/dbraw/zinc/54/47/04/855544704.db2.gz RGPPJRDXUZQEFR-QZTJIDSGSA-N 0 3 396.491 3.962 20 5 GHBDHN Cc1c([C@@H](C)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000765848180 855556416 /nfs/dbraw/zinc/55/64/16/855556416.db2.gz HDSDTRWHLKTNJI-XCLFUZPHSA-N 0 3 384.411 3.612 20 5 GHBDHN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000485177107 856176771 /nfs/dbraw/zinc/17/67/71/856176771.db2.gz LHQVTBHLNOILSR-ZDUSSCGKSA-N 0 3 383.246 3.840 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000157602474 856483418 /nfs/dbraw/zinc/48/34/18/856483418.db2.gz WUFWKMLOLCOVDL-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CCO)c3ccccc3)cs2)c1 ZINC000172685102 856619407 /nfs/dbraw/zinc/61/94/07/856619407.db2.gz ZPLBBBXKZGFBGX-QGZVFWFLSA-N 0 3 383.473 3.974 20 5 GHBDHN COC(=O)COc1ccc(CNC2(c3ccc(C)cc3)CCC2)cc1[N+](=O)[O-] ZINC000592378809 856822161 /nfs/dbraw/zinc/82/21/61/856822161.db2.gz FFXRZMSOCIXUMX-UHFFFAOYSA-N 0 3 384.432 3.624 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173351893 856877521 /nfs/dbraw/zinc/87/75/21/856877521.db2.gz LCZJGHZUIYPSAN-RISCZKNCSA-N 0 3 385.247 3.992 20 5 GHBDHN CCN1CCN([C@H](C)CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000059389353 862882103 /nfs/dbraw/zinc/88/21/03/862882103.db2.gz ZVQWOKIHIXHLND-LLVKDONJSA-N 0 3 394.825 3.705 20 5 GHBDHN Cn1c(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)nc2c1cccc2F ZINC000113358929 857442426 /nfs/dbraw/zinc/44/24/26/857442426.db2.gz ZBXMLBJEMPKCJD-UHFFFAOYSA-N 0 3 394.353 3.554 20 5 GHBDHN COc1ccc([C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000301754053 857552056 /nfs/dbraw/zinc/55/20/56/857552056.db2.gz WMRRMLMNTQZYRZ-QGZVFWFLSA-N 0 3 376.844 3.901 20 5 GHBDHN CSc1cccc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000486227169 857567807 /nfs/dbraw/zinc/56/78/07/857567807.db2.gz BRHJUZQAIMEQHQ-HOCLYGCPSA-N 0 3 385.489 3.882 20 5 GHBDHN C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249966149 857793520 /nfs/dbraw/zinc/79/35/20/857793520.db2.gz KBLDOJDBKBNJHP-IIBYNOLFSA-N 0 3 392.459 3.650 20 5 GHBDHN COc1cc(CNCCc2ncc(C)cc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000594615797 858242738 /nfs/dbraw/zinc/24/27/38/858242738.db2.gz SDCALVUOTMBGIL-UHFFFAOYSA-N 0 3 395.406 3.591 20 5 GHBDHN COc1cc(CNC[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594992178 858359974 /nfs/dbraw/zinc/35/99/74/858359974.db2.gz QCZZTPYDOIKTHA-CYBMUJFWSA-N 0 3 398.328 3.925 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000593022094 858551004 /nfs/dbraw/zinc/55/10/04/858551004.db2.gz BJXNRIHBWTZIGM-HXUWFJFHSA-N 0 3 397.475 3.698 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593113973 858659140 /nfs/dbraw/zinc/65/91/40/858659140.db2.gz YMTDRSSVVOOSAN-HNNXBMFYSA-N 0 3 396.365 3.632 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000595777787 858683948 /nfs/dbraw/zinc/68/39/48/858683948.db2.gz KBHXJSRFGBPCMM-DLBZAZTESA-N 0 3 375.469 3.558 20 5 GHBDHN CC(C)c1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000615203250 858840257 /nfs/dbraw/zinc/84/02/57/858840257.db2.gz QEFNPYCUPSARBS-MRXNPFEDSA-N 0 3 383.448 3.688 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@H](Oc3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC001170354050 881394786 /nfs/dbraw/zinc/39/47/86/881394786.db2.gz HOMCSXGDCZYCOM-APWZRJJASA-N 0 3 385.464 3.781 20 5 GHBDHN CCCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCCCC1 ZINC000060495631 859353834 /nfs/dbraw/zinc/35/38/34/859353834.db2.gz XPRCQTKGDSFNFA-UHFFFAOYSA-N 0 3 377.441 3.554 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c(F)c1 ZINC000428572842 859406144 /nfs/dbraw/zinc/40/61/44/859406144.db2.gz NRPAYVOWTLMROA-PMACEKPBSA-N 0 3 376.403 3.737 20 5 GHBDHN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(N2CCNC2=O)cc1 ZINC000842899263 860071481 /nfs/dbraw/zinc/07/14/81/860071481.db2.gz CZFZKPLAVNGZMI-VLIAUNLRSA-N 0 3 380.448 3.853 20 5 GHBDHN COc1ccc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000092787059 860128397 /nfs/dbraw/zinc/12/83/97/860128397.db2.gz DNIOUUAIUFJSJA-UHFFFAOYSA-N 0 3 380.448 3.944 20 5 GHBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000727676516 860185787 /nfs/dbraw/zinc/18/57/87/860185787.db2.gz PPJCYCJRLGQWCG-YXAHYSCSSA-N 0 3 379.460 3.951 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)N(C)C)cc1 ZINC000727770844 860219056 /nfs/dbraw/zinc/21/90/56/860219056.db2.gz JYWPCADZIRVREV-KRWDZBQOSA-N 0 3 376.844 3.981 20 5 GHBDHN C[C@@H](O)CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000093481534 860284156 /nfs/dbraw/zinc/28/41/56/860284156.db2.gz RBVORMJIYHWLCT-LLVKDONJSA-N 0 3 383.242 3.820 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 ZINC000904627855 860536587 /nfs/dbraw/zinc/53/65/87/860536587.db2.gz WTLFSAKAHQTVBF-UHFFFAOYSA-N 0 3 375.388 3.922 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522873536 863615546 /nfs/dbraw/zinc/61/55/46/863615546.db2.gz DDHSOOQNCBMPSN-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CC1(C)[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1O ZINC000494432622 881712672 /nfs/dbraw/zinc/71/26/72/881712672.db2.gz HTKQPKHTYKBWMN-CVEARBPZSA-N 0 3 395.253 3.866 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000137467714 863981605 /nfs/dbraw/zinc/98/16/05/863981605.db2.gz FSPVQHOCJWSMBJ-WMLDXEAASA-N 0 3 387.867 3.570 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000025859794 864574872 /nfs/dbraw/zinc/57/48/72/864574872.db2.gz KAFMWPRJCLYSJX-HXUWFJFHSA-N 0 3 385.464 3.725 20 5 GHBDHN CC[S@](=O)CCNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000735084857 864611427 /nfs/dbraw/zinc/61/14/27/864611427.db2.gz VAJDGCKJQTVZDD-VWLOTQADSA-N 0 3 378.519 3.913 20 5 GHBDHN COC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000494496293 881794272 /nfs/dbraw/zinc/79/42/72/881794272.db2.gz UGFCRGGAEZCALT-UGSOOPFHSA-N 0 3 391.855 3.943 20 5 GHBDHN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475322599 864753839 /nfs/dbraw/zinc/75/38/39/864753839.db2.gz PTRCRZLAPLOSQW-LJQANCHMSA-N 0 3 394.475 3.516 20 5 GHBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444339885 864843189 /nfs/dbraw/zinc/84/31/89/864843189.db2.gz SXFKCCAJCYXINF-INIZCTEOSA-N 0 3 377.488 3.676 20 5 GHBDHN C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184915167 865043540 /nfs/dbraw/zinc/04/35/40/865043540.db2.gz YCHWPAFWDPXDCZ-YWZLYKJASA-N 0 3 385.439 3.791 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594195125 865341614 /nfs/dbraw/zinc/34/16/14/865341614.db2.gz CFEVLAHXINLBEU-SJORKVTESA-N 0 3 377.510 3.842 20 5 GHBDHN Cc1ccccc1[C@H]1C[C@@H](C)N(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000738054026 865488477 /nfs/dbraw/zinc/48/84/77/865488477.db2.gz FKFVCRKENXVANC-AEFFLSMTSA-N 0 3 377.448 3.997 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000475550293 866239837 /nfs/dbraw/zinc/23/98/37/866239837.db2.gz HPEBQCADEXGCLW-UHFFFAOYSA-N 0 3 382.464 3.782 20 5 GHBDHN COc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000456351408 866472572 /nfs/dbraw/zinc/47/25/72/866472572.db2.gz WWNUKANFDHELQQ-MRXNPFEDSA-N 0 3 397.475 3.506 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H]1c1cccs1 ZINC000741606864 866654639 /nfs/dbraw/zinc/65/46/39/866654639.db2.gz RSPXLQKUNDFNRG-YVEFUNNKSA-N 0 3 377.441 3.608 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)cc1 ZINC000534691986 867259879 /nfs/dbraw/zinc/25/98/79/867259879.db2.gz OFFKFTOYJUSPDQ-UHFFFAOYSA-N 0 3 377.404 3.779 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000535367750 868637608 /nfs/dbraw/zinc/63/76/08/868637608.db2.gz TWGYNYNGQGNIQI-YJBOKZPZSA-N 0 3 392.459 3.570 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2CNCc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000479883686 868676973 /nfs/dbraw/zinc/67/69/73/868676973.db2.gz FVPUYQBJIPDOAA-HOTGVXAUSA-N 0 3 387.455 3.633 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000446183135 869513303 /nfs/dbraw/zinc/51/33/03/869513303.db2.gz OVWDOOBRYLNUOT-PBHICJAKSA-N 0 3 387.867 3.949 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000524766444 869543187 /nfs/dbraw/zinc/54/31/87/869543187.db2.gz XIXHMCZBSUXRFV-UHFFFAOYSA-N 0 3 378.432 3.824 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000524864783 869689397 /nfs/dbraw/zinc/68/93/97/869689397.db2.gz GBUFCJPFPSRQQN-GOSISDBHSA-N 0 3 396.491 3.520 20 5 GHBDHN CC(C)[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000491284994 870260956 /nfs/dbraw/zinc/26/09/56/870260956.db2.gz RKUIVYPCYWECMV-VXKWHMMOSA-N 0 3 383.492 3.631 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617698864 870751149 /nfs/dbraw/zinc/75/11/49/870751149.db2.gz ZFKZZSJEZDTUEW-SFHVURJKSA-N 0 3 381.476 3.741 20 5 GHBDHN COC(=O)c1ccccc1OCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194478458 871739811 /nfs/dbraw/zinc/73/98/11/871739811.db2.gz WMPAEPASRVCKCG-KRWDZBQOSA-N 0 3 384.432 3.640 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(CN3CCOCC3)cc1)CCC2 ZINC000447518402 871740654 /nfs/dbraw/zinc/74/06/54/871740654.db2.gz VUTCKHBSAWXKTD-QFIPXVFZSA-N 0 3 381.476 3.594 20 5 GHBDHN C[C@@H]1CCCCN1CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447682373 872094014 /nfs/dbraw/zinc/09/40/14/872094014.db2.gz XZZPAXWLZBZJGD-SNVBAGLBSA-N 0 3 382.333 3.930 20 5 GHBDHN COc1cc(C[NH2+]CCCc2cn(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1[O-] ZINC000101595382 872118724 /nfs/dbraw/zinc/11/87/24/872118724.db2.gz RPLOISHIBKWSPM-UHFFFAOYSA-N 0 3 396.447 3.526 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CCSCC3)o2)c(Cl)c1 ZINC000540808592 872225426 /nfs/dbraw/zinc/22/54/26/872225426.db2.gz AIJYVLMVQOCKLX-UHFFFAOYSA-N 0 3 381.885 3.647 20 5 GHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000619569587 872747445 /nfs/dbraw/zinc/74/74/45/872747445.db2.gz UTCYHWJFRNXJTC-FCDRMGDPSA-N 0 3 390.480 3.613 20 5 GHBDHN C[C@@H](c1ccc(F)cc1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460363275 873045576 /nfs/dbraw/zinc/04/55/76/873045576.db2.gz NEOXRNUMQZFKHW-AWEZNQCLSA-N 0 3 383.427 3.884 20 5 GHBDHN CC(C)CNC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000768227524 873178435 /nfs/dbraw/zinc/17/84/35/873178435.db2.gz ACKBMTOTCOOOHE-UHFFFAOYSA-N 0 3 385.464 3.839 20 5 GHBDHN CCc1oc2ccccc2c1CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541283085 873304455 /nfs/dbraw/zinc/30/44/55/873304455.db2.gz YQBZDQAECZDONW-HNNXBMFYSA-N 0 3 384.432 3.775 20 5 GHBDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000768949009 873727239 /nfs/dbraw/zinc/72/72/39/873727239.db2.gz BDQSNOXSARFZMH-CYBMUJFWSA-N 0 3 375.425 3.858 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494694917 882836669 /nfs/dbraw/zinc/83/66/69/882836669.db2.gz BRLOZOXKFJRLAJ-GOEBONIOSA-N 0 3 392.402 3.968 20 5 GHBDHN CC(C)CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C)CC1 ZINC001129459594 882857637 /nfs/dbraw/zinc/85/76/37/882857637.db2.gz NVCVGBLHXLLPIT-UHFFFAOYSA-N 0 3 381.904 3.760 20 5 GHBDHN COc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000542030662 874776601 /nfs/dbraw/zinc/77/66/01/874776601.db2.gz KWMBJIIEJOVPBG-INIZCTEOSA-N 0 3 398.463 3.732 20 5 GHBDHN CCc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1[N+](=O)[O-] ZINC000746508970 875336879 /nfs/dbraw/zinc/33/68/79/875336879.db2.gz YGHLURSGQFGJKX-UHFFFAOYSA-N 0 3 382.464 3.551 20 5 GHBDHN C[NH+]1CCC(COc2c(F)cccc2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001201229124 875565575 /nfs/dbraw/zinc/56/55/75/875565575.db2.gz CYYONNSYUJZRJK-UHFFFAOYSA-N 0 3 375.400 3.904 20 5 GHBDHN COc1ccc(CN2CC[C@@H]2CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000858238186 882967538 /nfs/dbraw/zinc/96/75/38/882967538.db2.gz QWXTXPSLZDAXAQ-QGZVFWFLSA-N 0 3 375.856 3.621 20 5 GHBDHN C[C@@H]1CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450548295 876594957 /nfs/dbraw/zinc/59/49/57/876594957.db2.gz RHEZHZNBOPPDBT-JTQLQIEISA-N 0 3 394.344 3.564 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000450789613 876893898 /nfs/dbraw/zinc/89/38/98/876893898.db2.gz WKDDLPZYIGVJLY-UHFFFAOYSA-N 0 3 382.464 3.938 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3cc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC000450789614 876893949 /nfs/dbraw/zinc/89/39/49/876893949.db2.gz WKFJCPIVSPWVPS-UHFFFAOYSA-N 0 3 382.464 3.938 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610041858 877323024 /nfs/dbraw/zinc/32/30/24/877323024.db2.gz GKRBDJLCAFKGJR-VQIMIIECSA-N 0 3 381.476 3.824 20 5 GHBDHN CN(CCOc1ccc(C(F)(F)F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787342986 877362579 /nfs/dbraw/zinc/36/25/79/877362579.db2.gz QYOOPMDYEKZOFC-KRWDZBQOSA-N 0 3 384.354 3.658 20 5 GHBDHN Cc1c(Br)cncc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000851107762 877413859 /nfs/dbraw/zinc/41/38/59/877413859.db2.gz ALEWLSLVDQQYFA-BONVTDFDSA-N 0 3 397.200 3.855 20 5 GHBDHN O=C1NCCCC[C@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237773666 877971243 /nfs/dbraw/zinc/97/12/43/877971243.db2.gz MRXPPNUYFIXSLI-MRXNPFEDSA-N 0 3 389.839 3.799 20 5 GHBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2sccc2C1 ZINC000130041843 878039182 /nfs/dbraw/zinc/03/91/82/878039182.db2.gz VKIFZFWPLZDUOE-UHFFFAOYSA-N 0 3 385.489 3.596 20 5 GHBDHN COc1ccc(OC)c([C@@H](O)CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000788574892 878178125 /nfs/dbraw/zinc/17/81/25/878178125.db2.gz CUEPPOJIQNONLC-MOPGFXCFSA-N 0 3 386.448 3.658 20 5 GHBDHN COc1ccc(OC)c([C@@H](O)CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000788574893 878178530 /nfs/dbraw/zinc/17/85/30/878178530.db2.gz CUEPPOJIQNONLC-OALUTQOASA-N 0 3 386.448 3.658 20 5 GHBDHN COC(=O)/C=C\c1ccc(Nc2cccc3c2OCC[C@H]3N(C)C)c([N+](=O)[O-])c1 ZINC000788578824 878181449 /nfs/dbraw/zinc/18/14/49/878181449.db2.gz XCBGFXUIOHTUKZ-IQBZNYMQSA-N 0 3 397.431 3.910 20 5 GHBDHN COC(=O)/C=C\c1ccc(Nc2cccc3c2OCC[C@@H]3N(C)C)c([N+](=O)[O-])c1 ZINC000788578829 878181482 /nfs/dbraw/zinc/18/14/82/878181482.db2.gz XCBGFXUIOHTUKZ-IZTUGPKFSA-N 0 3 397.431 3.910 20 5 GHBDHN CCc1nc2ccccc2n1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776606234 878419095 /nfs/dbraw/zinc/41/90/95/878419095.db2.gz UOXXKJINUDPWQM-NRFANRHFSA-N 0 3 394.475 3.877 20 5 GHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031145094 878451151 /nfs/dbraw/zinc/45/11/51/878451151.db2.gz BBLUJFFRLQBZIT-HXUWFJFHSA-N 0 3 394.475 3.736 20 5 GHBDHN CC(C)[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](O)c1ccc(Cl)cc1 ZINC000852731516 878561478 /nfs/dbraw/zinc/56/14/78/878561478.db2.gz XTWHFIKWOQKING-RTBURBONSA-N 0 3 388.855 3.972 20 5 GHBDHN CC(C)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000852732201 878562176 /nfs/dbraw/zinc/56/21/76/878562176.db2.gz RVEICXVHUFOSCQ-MOPGFXCFSA-N 0 3 391.855 3.535 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000852780335 878594000 /nfs/dbraw/zinc/59/40/00/878594000.db2.gz HGVAGJSPDBHGNC-HUUCEWRRSA-N 0 3 383.448 3.906 20 5 GHBDHN COc1cc(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000616906602 879181588 /nfs/dbraw/zinc/18/15/88/879181588.db2.gz NIICMHUNYXKLRH-UHFFFAOYSA-N 0 3 383.448 3.653 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790169341 879504829 /nfs/dbraw/zinc/50/48/29/879504829.db2.gz MNRMHATXRLHQOA-IEBWSBKVSA-N 0 3 383.423 3.799 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(N3CCSCC3)CCCCC2)c1F ZINC000790493858 879762610 /nfs/dbraw/zinc/76/26/10/879762610.db2.gz CSGVECVTCVRMBS-UHFFFAOYSA-N 0 3 395.500 3.524 20 5 GHBDHN CC(=O)N1CC[C@H](NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000152916368 879932516 /nfs/dbraw/zinc/93/25/16/879932516.db2.gz JHNUOEUGBWVNKA-KRWDZBQOSA-N 0 3 385.489 3.765 20 5 GHBDHN COCC1(NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000531954515 880816098 /nfs/dbraw/zinc/81/60/98/880816098.db2.gz VQXAJQLURFNKLQ-UHFFFAOYSA-N 0 3 378.432 3.716 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(Cc1ccccc1Cl)CC1CC1 ZINC001170194462 881227967 /nfs/dbraw/zinc/22/79/67/881227967.db2.gz NXQIAYHPMVTSMW-KRWDZBQOSA-N 0 3 390.867 3.900 20 5 GHBDHN COC(=O)COc1c(C)cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000175062111 883224055 /nfs/dbraw/zinc/22/40/55/883224055.db2.gz WQZOLONUUYRSLP-MRXNPFEDSA-N 0 3 386.448 3.923 20 5 GHBDHN COC[C@@](C)(O)CNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000609565417 883347872 /nfs/dbraw/zinc/34/78/72/883347872.db2.gz QBLZNKUXLZUUPR-IBGZPJMESA-N 0 3 376.478 3.541 20 5 GHBDHN CCNc1ccc(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000609566793 883350050 /nfs/dbraw/zinc/35/00/50/883350050.db2.gz NHVSXVACUXDCTN-UHFFFAOYSA-N 0 3 382.464 3.768 20 5 GHBDHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000551219142 883509403 /nfs/dbraw/zinc/50/94/03/883509403.db2.gz BSVKPSUUDFSXNJ-SGTLLEGYSA-N 0 3 396.871 3.756 20 5 GHBDHN C[C@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000551310640 883667020 /nfs/dbraw/zinc/66/70/20/883667020.db2.gz KVUJMZKUCSKNMC-ZDUSSCGKSA-N 0 3 382.869 3.763 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000609792206 883688235 /nfs/dbraw/zinc/68/82/35/883688235.db2.gz NBDGGQSSLDNDIZ-IBGZPJMESA-N 0 3 389.883 3.772 20 5 GHBDHN Cc1c(Br)c(NC[C@H](c2cccc(F)c2)N(C)C)ncc1[N+](=O)[O-] ZINC000542505890 883789163 /nfs/dbraw/zinc/78/91/63/883789163.db2.gz AZMYCINCYIGGHB-CQSZACIVSA-N 0 3 397.248 3.915 20 5 GHBDHN CCOc1cc(N2CCN(C[C@H]3CCOc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000619432779 885050598 /nfs/dbraw/zinc/05/05/98/885050598.db2.gz TUHWHCZUWNUCCN-QGZVFWFLSA-N 0 3 397.475 3.682 20 5 GHBDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000495369171 885539973 /nfs/dbraw/zinc/53/99/73/885539973.db2.gz ONJCNBLOHDYCLK-IAQYHMDHSA-N 0 3 384.274 3.806 20 5 GHBDHN CN(C)c1noc([C@@H]2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000194927328 885765114 /nfs/dbraw/zinc/76/51/14/885765114.db2.gz VVVUUHSFGKFWQY-OAHLLOKOSA-N 0 3 397.435 3.683 20 5 GHBDHN CC[C@@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532480990 885800202 /nfs/dbraw/zinc/80/02/02/885800202.db2.gz LEZSOKHWIAXERK-YADHBBJMSA-N 0 3 382.508 3.624 20 5 GHBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001131095810 885865083 /nfs/dbraw/zinc/86/50/83/885865083.db2.gz NBLIPTFSKXHMLL-QGZVFWFLSA-N 0 3 382.464 3.941 20 5 GHBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000808076409 885977965 /nfs/dbraw/zinc/97/79/65/885977965.db2.gz VFGOVXNTHWNXJF-JXMROGBWSA-N 0 3 388.427 3.505 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454128728 886145623 /nfs/dbraw/zinc/14/56/23/886145623.db2.gz CSJJHRWLQIRCEG-INIZCTEOSA-N 0 3 398.463 3.589 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3COc4ccccc4[C@H]3O)s2)cc1 ZINC000808452812 886364967 /nfs/dbraw/zinc/36/49/67/886364967.db2.gz RDUBOLCHYUWPHE-YLJYHZDGSA-N 0 3 382.441 3.908 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000808788359 886779931 /nfs/dbraw/zinc/77/99/31/886779931.db2.gz LYYZKYNBYKZBEN-FDFHNCONSA-N 0 3 378.428 3.693 20 5 GHBDHN Cc1ccc([C@H]2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c(C)c1 ZINC000794660598 887707484 /nfs/dbraw/zinc/70/74/84/887707484.db2.gz GTWNSHJKELJFRT-SFHVURJKSA-N 0 3 377.448 3.917 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000153766245 887897374 /nfs/dbraw/zinc/89/73/74/887897374.db2.gz ZZKMBMXZOYBXPP-DZGCQCFKSA-N 0 3 379.457 3.654 20 5 GHBDHN COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000194061675 887995576 /nfs/dbraw/zinc/99/55/76/887995576.db2.gz VJSCJTYGMNNJMM-KGLIPLIRSA-N 0 3 387.436 3.680 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000533010904 889549463 /nfs/dbraw/zinc/54/94/63/889549463.db2.gz GSUXANYBQWFNGP-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000130246211 890042100 /nfs/dbraw/zinc/04/21/00/890042100.db2.gz VTLFFFFYNKOAJY-UXHICEINSA-N 0 3 386.448 3.607 20 5 GHBDHN Cc1c(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000795098138 890174403 /nfs/dbraw/zinc/17/44/03/890174403.db2.gz CHIVJVKZEAYVJW-AEFFLSMTSA-N 0 3 375.469 3.735 20 5 GHBDHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813103021 891273527 /nfs/dbraw/zinc/27/35/27/891273527.db2.gz YJJDFCJXZYLPIY-VIFPVBQESA-N 0 3 379.825 3.871 20 5 GHBDHN CC(COC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)[N+](=O)[O-] ZINC000813111329 891304692 /nfs/dbraw/zinc/30/46/92/891304692.db2.gz RFCYWKUPHIWOMO-WBMJQRKESA-N 0 3 394.221 3.778 20 5 GHBDHN CC(COC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)[N+](=O)[O-] ZINC000813111325 891305225 /nfs/dbraw/zinc/30/52/25/891305225.db2.gz RFCYWKUPHIWOMO-LRDDRELGSA-N 0 3 394.221 3.778 20 5 GHBDHN CC([C@@H](OC(=O)Cn1nc(C(F)F)cc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000873544092 891677189 /nfs/dbraw/zinc/67/71/89/891677189.db2.gz CJADZKKZPDPJRS-BMLIUANNSA-N 0 3 397.353 3.787 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000814175773 892332293 /nfs/dbraw/zinc/33/22/93/892332293.db2.gz JSJUXAQOVBCLGL-WMZOPIPTSA-N 0 3 375.469 3.735 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000154511215 892515606 /nfs/dbraw/zinc/51/56/06/892515606.db2.gz QFMAZBSADLBNKV-QFIPXVFZSA-N 0 3 395.434 3.907 20 5 GHBDHN CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCCN(C)C1 ZINC000488225566 893098997 /nfs/dbraw/zinc/09/89/97/893098997.db2.gz VSUQIULNPICBOR-KRWDZBQOSA-N 0 3 385.489 3.912 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC001135926106 895702836 /nfs/dbraw/zinc/70/28/36/895702836.db2.gz COFAJLFNYPYISJ-HBMCJLEFSA-N 0 3 381.476 3.680 20 5 GHBDHN C[C@H]1C[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001185743992 914056301 /nfs/dbraw/zinc/05/63/01/914056301.db2.gz AJVIZVLXZISKRR-RDJZCZTQSA-N 0 3 392.459 3.522 20 5 GHBDHN COc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(OC2CCCC2)c1 ZINC000819129455 896430939 /nfs/dbraw/zinc/43/09/39/896430939.db2.gz JGJSCHZKEXIHDF-HXUWFJFHSA-N 0 3 386.448 3.748 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(C)C)CC1 ZINC000332219122 899494408 /nfs/dbraw/zinc/49/44/08/899494408.db2.gz JOJBXGRMFVUQQT-UHFFFAOYSA-N 0 3 379.526 3.899 20 5 GHBDHN CN(CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)Cc1ccccc1 ZINC001186294894 914445856 /nfs/dbraw/zinc/44/58/56/914445856.db2.gz LFEYAZAUHRKMPG-UHFFFAOYSA-N 0 3 385.489 3.711 20 5 GHBDHN CC(C)N1CC[C@H](NCc2cccnc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000886192257 900875638 /nfs/dbraw/zinc/87/56/38/900875638.db2.gz NHPHHKYZJIZBIQ-ZWKOTPCHSA-N 0 3 376.407 3.582 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000574947013 901068243 /nfs/dbraw/zinc/06/82/43/901068243.db2.gz JZMQOGXOWXGHSK-UHFFFAOYSA-N 0 3 376.482 3.814 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577029554 902444400 /nfs/dbraw/zinc/44/44/00/902444400.db2.gz BMJIRSIJDHSVBL-HKUYNNGSSA-N 0 3 393.846 3.931 20 5 GHBDHN Cc1oc(-c2ccco2)nc1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873717 902475265 /nfs/dbraw/zinc/47/52/65/902475265.db2.gz FPDHMOMXAVOXEZ-ADLMAVQZSA-N 0 3 388.351 3.874 20 5 GHBDHN COc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])ccc1OC(F)F ZINC000845873645 902475359 /nfs/dbraw/zinc/47/53/59/902475359.db2.gz VOFVOTWEAHDFKR-HWPZZCPQSA-N 0 3 399.321 3.999 20 5 GHBDHN CCCNC(=O)c1cccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845874655 902476894 /nfs/dbraw/zinc/47/68/94/902476894.db2.gz IFCCRXJFSKRFNB-UGSOOPFHSA-N 0 3 388.395 3.529 20 5 GHBDHN CC([C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874836 902478107 /nfs/dbraw/zinc/47/81/07/902478107.db2.gz IXOYRXGWNASTLV-KZULUSFZSA-N 0 3 376.340 3.616 20 5 GHBDHN Cc1nn(CC2CC2)c(C)c1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875796 902479813 /nfs/dbraw/zinc/47/98/13/902479813.db2.gz CKQKXXDAKBMREX-XOBRGWDASA-N 0 3 389.427 3.541 20 5 GHBDHN CC(=O)c1cccc(O[C@H](C)C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845878734 902480499 /nfs/dbraw/zinc/48/04/99/902480499.db2.gz VTEOYOVYVARJBV-TVZGQMOCSA-N 0 3 389.379 3.745 20 5 GHBDHN CC([C@H](OC(=O)COC[C@@H](C)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845875844 902480767 /nfs/dbraw/zinc/48/07/67/902480767.db2.gz CXBMKMTVAXOZQN-SIFCLUCFSA-N 0 3 375.396 3.896 20 5 GHBDHN CC([C@@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845878854 902482592 /nfs/dbraw/zinc/48/25/92/902482592.db2.gz WHELYBLPQYULRX-APPDUMDISA-N 0 3 383.322 3.919 20 5 GHBDHN CCOC(=O)Oc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845884381 902489428 /nfs/dbraw/zinc/48/94/28/902489428.db2.gz YQIJTMDHTBBBEM-SJCJKPOMSA-N 0 3 391.351 3.924 20 5 GHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847009437 903391364 /nfs/dbraw/zinc/39/13/64/903391364.db2.gz QZPLXOSKRIMOTC-HNNXBMFYSA-N 0 3 375.469 3.989 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000265020855 903563315 /nfs/dbraw/zinc/56/33/15/903563315.db2.gz IUZRJYZGLMKZGE-UHFFFAOYSA-N 0 3 382.464 3.817 20 5 GHBDHN CSc1ncc(Cl)c(CN[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172901430 905923746 /nfs/dbraw/zinc/92/37/46/905923746.db2.gz IERNWCPEHRFFFB-CYBMUJFWSA-N 0 3 378.885 3.797 20 5 GHBDHN COc1ccc2c(c1)[C@H](N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])CCO2 ZINC001173184249 906265817 /nfs/dbraw/zinc/26/58/17/906265817.db2.gz PFXHMALKUUFMNQ-MLGOLLRUSA-N 0 3 390.411 3.796 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001173222160 906299876 /nfs/dbraw/zinc/29/98/76/906299876.db2.gz PPCGCWIBZRFANZ-MRXNPFEDSA-N 0 3 389.496 3.859 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001173232479 906317987 /nfs/dbraw/zinc/31/79/87/906317987.db2.gz BPBAGIVOZIXKDX-CRAIPNDOSA-N 0 3 397.450 3.785 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001173234455 906322219 /nfs/dbraw/zinc/32/22/19/906322219.db2.gz RQXWPGZHLMDAJI-HLLBOEOZSA-N 0 3 377.485 3.903 20 5 GHBDHN CCOC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000189797513 908375980 /nfs/dbraw/zinc/37/59/80/908375980.db2.gz LKBUGOMTWCLJFO-XHDPSFHLSA-N 0 3 391.390 3.591 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001177122828 908399002 /nfs/dbraw/zinc/39/90/02/908399002.db2.gz ZCOGPDUZNMXPRO-MRXNPFEDSA-N 0 3 377.391 3.560 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H](C)[C@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000266299863 909068683 /nfs/dbraw/zinc/06/86/83/909068683.db2.gz MDOXKGGLJORLQL-RIFZZMRRSA-N 0 3 383.448 3.598 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(Br)cc2F)n1 ZINC000774182782 911502004 /nfs/dbraw/zinc/50/20/04/911502004.db2.gz JEAACBSBPBTDDA-LSDHHAIUSA-N 0 3 397.248 3.966 20 5 GHBDHN CC(C)CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000291562933 915251171 /nfs/dbraw/zinc/25/11/71/915251171.db2.gz IWFKQSXYSZUXOM-UHFFFAOYSA-N 0 3 398.301 3.550 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000775443260 917838597 /nfs/dbraw/zinc/83/85/97/917838597.db2.gz ZMKZXLNNBABOQK-NRFANRHFSA-N 0 3 383.448 3.599 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)c2cccc(Br)c2)cc1Cl ZINC000800530140 920245317 /nfs/dbraw/zinc/24/53/17/920245317.db2.gz WGPBVWAZOHTXAL-HNNXBMFYSA-N 0 3 385.645 3.834 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1C ZINC000901002988 920793212 /nfs/dbraw/zinc/79/32/12/920793212.db2.gz KJQIKQLBSLHJMG-UHFFFAOYSA-N 0 3 397.475 3.668 20 5 GHBDHN O=C(CCN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000409902309 925116220 /nfs/dbraw/zinc/11/62/20/925116220.db2.gz XCDPHENTRPBABY-OAHLLOKOSA-N 0 3 389.477 3.666 20 5 GHBDHN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000726605200 926758860 /nfs/dbraw/zinc/75/88/60/926758860.db2.gz KCVXMWKYCUQTPI-QNOJTCODSA-N 0 3 381.476 3.677 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccccc2OCc2ccccc2)c1 ZINC000749679165 927231856 /nfs/dbraw/zinc/23/18/56/927231856.db2.gz VMGRFINFWZOIBU-OAQYLSRUSA-N 0 3 378.428 3.997 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cc2)CC1 ZINC000749874079 927325131 /nfs/dbraw/zinc/32/51/31/927325131.db2.gz KCILCZHUPNKWEJ-UHFFFAOYSA-N 0 3 388.855 3.642 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000467556645 929199900 /nfs/dbraw/zinc/19/99/00/929199900.db2.gz XRFJFDGVDVOBSF-QFBILLFUSA-N 0 3 398.459 3.915 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000557206349 931271896 /nfs/dbraw/zinc/27/18/96/931271896.db2.gz NZNKORWHZKABSL-UTKZUKDTSA-N 0 3 399.491 3.591 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000784504972 931916184 /nfs/dbraw/zinc/91/61/84/931916184.db2.gz KXZDYCSFIBFISN-RYQLBKOJSA-N 0 3 375.469 3.720 20 5 GHBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796846298 932086936 /nfs/dbraw/zinc/08/69/36/932086936.db2.gz NSJHMARBIPVQDV-CQSZACIVSA-N 0 3 386.452 3.652 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCN2C2CCOCC2)c2ccccc2)c1 ZINC000927104570 932413471 /nfs/dbraw/zinc/41/34/71/932413471.db2.gz NMTUNLKKOZFKAJ-VXKWHMMOSA-N 0 3 381.476 3.527 20 5 GHBDHN CCc1ccc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000560489851 933286638 /nfs/dbraw/zinc/28/66/38/933286638.db2.gz BGJBZBFAMYQQGT-UHFFFAOYSA-N 0 3 390.443 3.668 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116170621 933378629 /nfs/dbraw/zinc/37/86/29/933378629.db2.gz AJZQSSSMHTVJAP-QGZVFWFLSA-N 0 3 386.477 3.519 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC2(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000830326770 935931336 /nfs/dbraw/zinc/93/13/36/935931336.db2.gz CONUPIVFFAZKJJ-INIZCTEOSA-N 0 3 382.338 3.806 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000547277441 1016878460 /nfs/dbraw/zinc/87/84/60/1016878460.db2.gz JMOSDJGVVYIHSF-NVXWUHKLSA-N 0 3 399.466 3.791 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000565679574 1019189475 /nfs/dbraw/zinc/18/94/75/1019189475.db2.gz VHNVJMICKMWTNW-CXAGYDPISA-N 0 3 386.452 3.621 20 5 GHBDHN COc1ccc(OC)c([C@H](O)CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000831539721 1024630437 /nfs/dbraw/zinc/63/04/37/1024630437.db2.gz VKJNVHVSESSOKV-OXQOHEQNSA-N 0 3 386.448 3.525 20 5 GHBDHN CN(C)CCN(Cc1ccsc1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000838185019 1024981333 /nfs/dbraw/zinc/98/13/33/1024981333.db2.gz CRIGEBLSUZEYLR-UHFFFAOYSA-N 0 3 399.875 3.582 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1F ZINC000832320367 1025442094 /nfs/dbraw/zinc/44/20/94/1025442094.db2.gz SFHFCMLONOKLDC-XIKOKIGWSA-N 0 3 377.391 3.603 20 5 GHBDHN CCCSc1nc(Cl)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001162757587 1025908323 /nfs/dbraw/zinc/90/83/23/1025908323.db2.gz BNZZGFFRTFCATJ-VIFPVBQESA-N 0 3 392.872 3.899 20 5 GHBDHN CN1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1Cc1ccccc1 ZINC001163260287 1026110976 /nfs/dbraw/zinc/11/09/76/1026110976.db2.gz IVMDPSMWTKNNGN-MRXNPFEDSA-N 0 3 397.866 3.555 20 5 GHBDHN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H](C)CN1Cc1ccccc1 ZINC001165202833 1026665243 /nfs/dbraw/zinc/66/52/43/1026665243.db2.gz PMWMATQOMHJDQG-CVEARBPZSA-N 0 3 377.448 3.637 20 5 GHBDHN O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000303089427 1028734995 /nfs/dbraw/zinc/73/49/95/1028734995.db2.gz PADUSOSUPYWGMW-HNNXBMFYSA-N 0 3 391.269 3.829 20 5 GHBDHN CC(C)[C@@H](CNCc1c(Br)cccc1[N+](=O)[O-])c1ccnn1C ZINC001461430635 1069546191 /nfs/dbraw/zinc/54/61/91/1069546191.db2.gz FHZKTIDSKGHHSX-GFCCVEGCSA-N 0 3 381.274 3.620 20 5 GHBDHN CC[C@@H](NCCCS(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181535653 1029030947 /nfs/dbraw/zinc/03/09/47/1029030947.db2.gz FRYXADUJDQUBNO-LJQANCHMSA-N 0 3 376.478 3.808 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001217146906 1030196479 /nfs/dbraw/zinc/19/64/79/1030196479.db2.gz JLAJOZWSFAENBX-DOTOQJQBSA-N 0 3 398.463 3.951 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001150120172 1030405972 /nfs/dbraw/zinc/40/59/72/1030405972.db2.gz UEGMJMDYZCAOMS-PBHICJAKSA-N 0 3 391.537 3.946 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)c1 ZINC001152744528 1031346038 /nfs/dbraw/zinc/34/60/38/1031346038.db2.gz VIBAWMYDIMFBLW-GOSISDBHSA-N 0 3 397.475 3.730 20 5 GHBDHN O=c1oc2cc(O[C@H]3CC[C@H](N4CCOCC4)CC3)ccc2c2ccccc21 ZINC001226514103 1031991850 /nfs/dbraw/zinc/99/18/50/1031991850.db2.gz HWATXBVMUQTNCL-QAQDUYKDSA-N 0 3 379.456 3.968 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001205504314 1033443830 /nfs/dbraw/zinc/44/38/30/1033443830.db2.gz ZDZQYTMYSDGSGR-CQSZACIVSA-N 0 3 387.427 3.618 20 5 GHBDHN CN(C)C[C@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001205641677 1033506680 /nfs/dbraw/zinc/50/66/80/1033506680.db2.gz QBMFDNPGOAXSJV-HNNXBMFYSA-N 0 3 380.807 3.812 20 5 GHBDHN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001230245724 1033960211 /nfs/dbraw/zinc/96/02/11/1033960211.db2.gz BZPNBOUJHBKVJE-OEWRPIJISA-N 0 3 395.459 3.843 20 5 GHBDHN CCc1cc(N2CCN(C)CC23CCCC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158409799 1034065684 /nfs/dbraw/zinc/06/56/84/1034065684.db2.gz CWTBOIBTOWJZTE-UHFFFAOYSA-N 0 3 381.480 3.679 20 5 GHBDHN CC(=O)Cc1c(F)c(O[C@@H](CCN(C)C)c2cccs2)ccc1[N+](=O)[O-] ZINC001230794688 1034230429 /nfs/dbraw/zinc/23/04/29/1034230429.db2.gz RPVGLVJUXHPENB-HNNXBMFYSA-N 0 3 380.441 3.999 20 5 GHBDHN CNc1ccc(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC001160751670 1035056779 /nfs/dbraw/zinc/05/67/79/1035056779.db2.gz YEVPMTGQLBNPCP-NRFANRHFSA-N 0 3 398.507 3.868 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001462121103 1070011727 /nfs/dbraw/zinc/01/17/27/1070011727.db2.gz MCGSJTUTHITRMA-CHWSQXEVSA-N 0 3 390.440 3.662 20 5 GHBDHN NCc1cc(-c2ccccc2)nn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465934 1040252332 /nfs/dbraw/zinc/25/23/32/1040252332.db2.gz PIPVZAMSCHTJEG-UHFFFAOYSA-N 0 3 377.448 3.759 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001254553762 1040323608 /nfs/dbraw/zinc/32/36/08/1040323608.db2.gz YRFRYKDEUDVAHV-JLSDUUJJSA-N 0 3 375.469 3.610 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001254571459 1040347392 /nfs/dbraw/zinc/34/73/92/1040347392.db2.gz WAGHLRLNVYQGLU-HNNXBMFYSA-N 0 3 385.439 3.559 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1COc3cc(Br)ccc31)C2 ZINC001254585190 1040359719 /nfs/dbraw/zinc/35/97/19/1040359719.db2.gz LJPKSXFQLYNSMX-BBRMVZONSA-N 0 3 375.222 3.548 20 5 GHBDHN O=C1CC2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2cc(F)ccc21 ZINC001254592635 1040364735 /nfs/dbraw/zinc/36/47/35/1040364735.db2.gz DSKIJWAHKDTOQI-GOSISDBHSA-N 0 3 380.419 3.821 20 5 GHBDHN O=C(OCc1ccccc1)[C@@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610611 1040381702 /nfs/dbraw/zinc/38/17/02/1040381702.db2.gz LTPNYLWWNDBAOZ-NQIIRXRSSA-N 0 3 380.444 3.517 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@H](C2CCC2)[C@H]2CCCO2)cc1Br ZINC001462483791 1070292247 /nfs/dbraw/zinc/29/22/47/1070292247.db2.gz YHIRWWUVUZTTLL-CHWSQXEVSA-N 0 3 375.288 3.856 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1CCCN1CC(F)(F)F ZINC001462565051 1070370547 /nfs/dbraw/zinc/37/05/47/1070370547.db2.gz KOYUNTRQERFWEG-LBPRGKRZSA-N 0 3 385.308 3.730 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001301866779 1046735903 /nfs/dbraw/zinc/73/59/03/1046735903.db2.gz DCYCNZOLEYHEIH-MIPMUCIVSA-N 0 3 379.460 3.635 20 5 GHBDHN CC[C@H](C)N[C@H](CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC001307118511 1049087049 /nfs/dbraw/zinc/08/70/49/1049087049.db2.gz LPSCCNVBQCERPL-VAABUUKESA-N 0 3 387.436 3.915 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC001307430948 1049267088 /nfs/dbraw/zinc/26/70/88/1049267088.db2.gz QHLACGNBSXLCEJ-IBGZPJMESA-N 0 3 383.448 3.726 20 5 GHBDHN C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC001307900820 1049678716 /nfs/dbraw/zinc/67/87/16/1049678716.db2.gz MBYMVIXTWZHSID-YOEHRIQHSA-N 0 3 390.867 3.650 20 5 GHBDHN COC[C@H]1C[C@@H](NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC001308504141 1049992335 /nfs/dbraw/zinc/99/23/35/1049992335.db2.gz KURSXXDNDSWUBD-MAEOIBBWSA-N 0 3 386.448 3.697 20 5 GHBDHN CCOc1cc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001308734346 1050075452 /nfs/dbraw/zinc/07/54/52/1050075452.db2.gz LWTPXBPBRRYDHS-UYAOXDASSA-N 0 3 381.476 3.919 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC001311393991 1052084383 /nfs/dbraw/zinc/08/43/83/1052084383.db2.gz GPGVMNCJTRMEQQ-GOSISDBHSA-N 0 3 390.509 3.847 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001312079108 1052560448 /nfs/dbraw/zinc/56/04/48/1052560448.db2.gz OKZLSQYYCITGBH-HXUWFJFHSA-N 0 3 384.480 3.551 20 5 GHBDHN C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001312817644 1052881085 /nfs/dbraw/zinc/88/10/85/1052881085.db2.gz UUVHUVXFEGFBOR-MBOZVWFJSA-N 0 3 396.491 3.661 20 5 GHBDHN CC(C)(C)NC(=O)CCNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001318372702 1054594795 /nfs/dbraw/zinc/59/47/95/1054594795.db2.gz QWIMRBIBUWAHGE-UHFFFAOYSA-N 0 3 379.844 3.903 20 5 GHBDHN CCOC1CC(O)(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320799951 1055967409 /nfs/dbraw/zinc/96/74/09/1055967409.db2.gz KGUVKKGGXBHKCB-UHFFFAOYSA-N 0 3 380.828 3.528 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N(C)C)cc1 ZINC001442472512 1058965698 /nfs/dbraw/zinc/96/56/98/1058965698.db2.gz JAYGUTJNGGRFDX-QGZVFWFLSA-N 0 3 395.381 3.955 20 5 GHBDHN CC1CCN([C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])c2ccccc2)CC1 ZINC001464395069 1064986553 /nfs/dbraw/zinc/98/65/53/1064986553.db2.gz AYYAFQVCVSFOQO-HXUWFJFHSA-N 0 3 399.466 3.866 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1 ZINC001358290929 1067468234 /nfs/dbraw/zinc/46/82/34/1067468234.db2.gz LVFJUAMHUYDRMO-UHFFFAOYSA-N 0 3 399.491 3.894 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001468702011 1067837351 /nfs/dbraw/zinc/83/73/51/1067837351.db2.gz WJWRSTICGXTYQD-HXUWFJFHSA-N 0 3 399.491 3.835 20 5 GHBDHN Cc1c(CNC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001478429241 1078865555 /nfs/dbraw/zinc/86/55/55/1078865555.db2.gz GVLHLPNYMCXLIO-QGZVFWFLSA-N 0 3 396.491 3.567 20 5 GHBDHN C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCN1C1CCCC1 ZINC001471823912 1073227211 /nfs/dbraw/zinc/22/72/11/1073227211.db2.gz APVJNGOEEKLMKC-CQSZACIVSA-N 0 3 379.888 3.656 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])N(C)C)cc1 ZINC001472796395 1073669234 /nfs/dbraw/zinc/66/92/34/1073669234.db2.gz NVUZCSJYLJYPKK-MRXNPFEDSA-N 0 3 378.860 3.567 20 5 GHBDHN Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001473178962 1073835429 /nfs/dbraw/zinc/83/54/29/1073835429.db2.gz BHDSIEAKICAGGJ-CBGDNZLLSA-N 0 3 379.460 3.887 20 5 GHBDHN CC[C@H](Cc1ccccc1)N(CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001473270161 1073900434 /nfs/dbraw/zinc/90/04/34/1073900434.db2.gz ONXBHARKERQMSD-QGZVFWFLSA-N 0 3 385.464 3.885 20 5 GHBDHN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC001473455449 1073972265 /nfs/dbraw/zinc/97/22/65/1073972265.db2.gz ZDZTXKFWXPVXFJ-MRXNPFEDSA-N 0 3 393.484 3.743 20 5 GHBDHN CN(C(=O)CN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001473485168 1073984912 /nfs/dbraw/zinc/98/49/12/1073984912.db2.gz VYZBVHRFBSDALS-VQTJNVASSA-N 0 3 397.475 3.531 20 5 GHBDHN Cc1nc(C2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]c1C ZINC001473801787 1074148408 /nfs/dbraw/zinc/14/84/08/1074148408.db2.gz HZLICURHJQTIBC-AWEZNQCLSA-N 0 3 396.451 3.925 20 5 GHBDHN Cc1ccc([C@H](C)[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228725 607019147 /nfs/dbraw/zinc/01/91/47/607019147.db2.gz DECROPVFYBXKJQ-AWEZNQCLSA-N 0 3 398.492 3.667 20 5 GHBDHN O=C(CCNCc1ccc(F)cc1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000548826118 834530861 /nfs/dbraw/zinc/53/08/61/834530861.db2.gz SEOMWQSZMKLHID-UHFFFAOYSA-N 0 3 385.317 3.871 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC(Oc4ccccn4)CC3)o2)c1 ZINC000471152393 835094434 /nfs/dbraw/zinc/09/44/34/835094434.db2.gz RCVYCVMEBCOJSG-UHFFFAOYSA-N 0 3 394.431 3.731 20 5 GHBDHN CCCCO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000584258704 835810675 /nfs/dbraw/zinc/81/06/75/835810675.db2.gz DWZMZNWFTIXPCN-CVEARBPZSA-N 0 3 383.876 3.760 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H]3CCN(c4ccccn4)C3)o2)c([N+](=O)[O-])c1 ZINC000120612472 835875740 /nfs/dbraw/zinc/87/57/40/835875740.db2.gz FMYBXWJUQGLHLR-OAHLLOKOSA-N 0 3 394.431 3.627 20 5 GHBDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000411074908 836053896 /nfs/dbraw/zinc/05/38/96/836053896.db2.gz NTXNZJVJLJFBGF-UHFFFAOYSA-N 0 3 389.839 3.974 20 5 GHBDHN COc1ccc(NC(=O)CCN(C)[C@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000411169317 836086734 /nfs/dbraw/zinc/08/67/34/836086734.db2.gz CWSKRMKSEYFSRZ-CYBMUJFWSA-N 0 3 375.400 3.764 20 5 GHBDHN CN(C)CCN(CC1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609792622 836153568 /nfs/dbraw/zinc/15/35/68/836153568.db2.gz HYNFABYSIIJRAF-UHFFFAOYSA-N 0 3 381.904 3.761 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000411766151 836327026 /nfs/dbraw/zinc/32/70/26/836327026.db2.gz BJGYCZGJJJXORB-LBPRGKRZSA-N 0 3 377.828 3.936 20 5 GHBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000187257879 836359653 /nfs/dbraw/zinc/35/96/53/836359653.db2.gz IIJJATBJWSUPGH-YJYMSZOUSA-N 0 3 375.856 3.598 20 5 GHBDHN Cc1ccc([C@H](CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000236717898 836466822 /nfs/dbraw/zinc/46/68/22/836466822.db2.gz YHEOYECRGZLYDB-FQEVSTJZSA-N 0 3 387.480 3.783 20 5 GHBDHN CCC[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000246961951 836491221 /nfs/dbraw/zinc/49/12/21/836491221.db2.gz IPKNAAPDIGENCP-OXJNMPFZSA-N 0 3 384.480 3.846 20 5 GHBDHN O=C1c2ccccc2CCN1CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189054259 838072822 /nfs/dbraw/zinc/07/28/22/838072822.db2.gz HRZMWADTKKIJCU-UHFFFAOYSA-N 0 3 391.427 3.643 20 5 GHBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCCC1)c1ccccc1 ZINC000610403593 839094432 /nfs/dbraw/zinc/09/44/32/839094432.db2.gz QQTBWLLQYYTSFF-HXUWFJFHSA-N 0 3 396.491 3.664 20 5 GHBDHN O=C(CN[C@@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000378511122 839253988 /nfs/dbraw/zinc/25/39/88/839253988.db2.gz JCKIDDAIFWEHJQ-LIRRHRJNSA-N 0 3 389.839 3.554 20 5 GHBDHN O=C(CN[C@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000378511120 839254130 /nfs/dbraw/zinc/25/41/30/839254130.db2.gz JCKIDDAIFWEHJQ-IFXJQAMLSA-N 0 3 389.839 3.554 20 5 GHBDHN CSc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])N(C)C)cc1 ZINC000549286477 839820678 /nfs/dbraw/zinc/82/06/78/839820678.db2.gz YCYPPRBHKIWLGM-CYBMUJFWSA-N 0 3 377.495 3.741 20 5 GHBDHN CC(C)(C)N1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000050629065 840544250 /nfs/dbraw/zinc/54/42/50/840544250.db2.gz RRUCWNIXTVDYRY-UHFFFAOYSA-N 0 3 388.493 3.665 20 5 GHBDHN CN(C)C(=O)COc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417333797 840736241 /nfs/dbraw/zinc/73/62/41/840736241.db2.gz ZDSOQTQTOOGOMZ-NRFANRHFSA-N 0 3 397.475 3.619 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCc3ccc4c[nH]nc4c3)cs2)c1 ZINC000585743378 842243369 /nfs/dbraw/zinc/24/33/69/842243369.db2.gz FDPHRBWUYXLWNA-UHFFFAOYSA-N 0 3 379.445 3.927 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccc(Oc3ccccc3)c2)c1 ZINC000555575596 861303527 /nfs/dbraw/zinc/30/35/27/861303527.db2.gz QLLVGTQHMJFFEG-IBGZPJMESA-N 0 3 394.427 3.917 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1 ZINC000112821013 842390433 /nfs/dbraw/zinc/39/04/33/842390433.db2.gz ULABITDNTOWNLY-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CN1C1CC1 ZINC000490194477 861309923 /nfs/dbraw/zinc/30/99/23/861309923.db2.gz WECNNXBVNLOTJA-WBVHZDCISA-N 0 3 394.475 3.562 20 5 GHBDHN COc1c(O)ccc(CN(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566322 843116822 /nfs/dbraw/zinc/11/68/22/843116822.db2.gz ARSKFARMCFYJPH-WMZOPIPTSA-N 0 3 390.411 3.800 20 5 GHBDHN COc1c([O-])ccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566322 843116828 /nfs/dbraw/zinc/11/68/28/843116828.db2.gz ARSKFARMCFYJPH-WMZOPIPTSA-N 0 3 390.411 3.800 20 5 GHBDHN COc1c([O-])ccc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000893566322 843116833 /nfs/dbraw/zinc/11/68/33/843116833.db2.gz ARSKFARMCFYJPH-WMZOPIPTSA-N 0 3 390.411 3.800 20 5 GHBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000067205087 843908378 /nfs/dbraw/zinc/90/83/78/843908378.db2.gz MYTUTKLRMWRCHL-INIZCTEOSA-N 0 3 381.457 3.943 20 5 GHBDHN COc1ccccc1C[C@@H]1CCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000512658145 844928444 /nfs/dbraw/zinc/92/84/44/844928444.db2.gz OGSIEPSHAKFJIZ-KRWDZBQOSA-N 0 3 386.448 3.828 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000509777793 845136067 /nfs/dbraw/zinc/13/60/67/845136067.db2.gz RXQRNRHAXPZAKS-LPHOPBHVSA-N 0 3 397.475 3.901 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000303215659 861590722 /nfs/dbraw/zinc/59/07/22/861590722.db2.gz SZCKOOGQMRCMFS-UHFFFAOYSA-N 0 3 396.491 3.682 20 5 GHBDHN COc1ccc2c(c1)C[C@H](C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000501050830 846578238 /nfs/dbraw/zinc/57/82/38/846578238.db2.gz HTLRLHBSXKACHA-LSDHHAIUSA-N 0 3 383.448 3.940 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000604123696 861807972 /nfs/dbraw/zinc/80/79/72/861807972.db2.gz ZVUQGQHUIFXPEW-FOIQADDNSA-N 0 3 384.480 3.820 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000604123698 861808348 /nfs/dbraw/zinc/80/83/48/861808348.db2.gz ZVUQGQHUIFXPEW-QRWLVFNGSA-N 0 3 384.480 3.820 20 5 GHBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000132012064 861868324 /nfs/dbraw/zinc/86/83/24/861868324.db2.gz XGSWNCOGWWEKDM-UHFFFAOYSA-N 0 3 381.354 3.822 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000583332356 849643553 /nfs/dbraw/zinc/64/35/53/849643553.db2.gz DSDCKCGXPSDNRA-KRWDZBQOSA-N 0 3 394.880 3.689 20 5 GHBDHN COc1ccc(C[C@@H](C)N[C@@H]2CCOc3cc(F)cc(F)c32)c([N+](=O)[O-])c1 ZINC001170312127 881342638 /nfs/dbraw/zinc/34/26/38/881342638.db2.gz CVKJRNQQSAAKIB-BDJLRTHQSA-N 0 3 378.375 3.926 20 5 GHBDHN CC(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000504868454 850379985 /nfs/dbraw/zinc/37/99/85/850379985.db2.gz FVVJVMAILWTQPN-FQEVSTJZSA-N 0 3 382.464 3.799 20 5 GHBDHN CC(C)(C)Oc1cc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000487076525 850428125 /nfs/dbraw/zinc/42/81/25/850428125.db2.gz SFYGSOGIRPCLLZ-RTBURBONSA-N 0 3 399.491 3.819 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425004029 850843447 /nfs/dbraw/zinc/84/34/47/850843447.db2.gz NAHZYDGOVAZURA-HNAYVOBHSA-N 0 3 385.851 3.595 20 5 GHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487715954 850869482 /nfs/dbraw/zinc/86/94/82/850869482.db2.gz DVJUSWJTNAEBDG-JXFKEZNVSA-N 0 3 377.448 3.667 20 5 GHBDHN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)N2CCCC2)cc1 ZINC000163067123 862266538 /nfs/dbraw/zinc/26/65/38/862266538.db2.gz BESADCFBZLRCDX-HXUWFJFHSA-N 0 3 398.463 3.870 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000163090097 862274498 /nfs/dbraw/zinc/27/44/98/862274498.db2.gz MGIYDBUUGDJTMD-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000425608798 852222013 /nfs/dbraw/zinc/22/20/13/852222013.db2.gz PEGSRDXGTVQGTD-SFHVURJKSA-N 0 3 392.459 3.528 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489330143 852236396 /nfs/dbraw/zinc/23/63/96/852236396.db2.gz MZDNDGPDJOOLBU-PXNSSMCTSA-N 0 3 396.491 3.928 20 5 GHBDHN CSc1ccc(C(=O)N2c3ccccc3CC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000425632228 852363153 /nfs/dbraw/zinc/36/31/53/852363153.db2.gz UEEGPTBDFKZZKP-MRXNPFEDSA-N 0 3 385.489 3.840 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(CCCN2CCOCC2)CC1 ZINC000506051611 853158693 /nfs/dbraw/zinc/15/86/93/853158693.db2.gz MYUQIHTXARDKHI-UHFFFAOYSA-N 0 3 381.904 3.573 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000490658261 853161451 /nfs/dbraw/zinc/16/14/51/853161451.db2.gz AIJFTYHABRNMSQ-LJQANCHMSA-N 0 3 398.463 3.870 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000491051811 853426492 /nfs/dbraw/zinc/42/64/92/853426492.db2.gz PGESFOXCJOEXQR-GOEBONIOSA-N 0 3 388.468 3.852 20 5 GHBDHN C[C@@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570933368 853650686 /nfs/dbraw/zinc/65/06/86/853650686.db2.gz UGMXBDKWWXHFCD-IIBYNOLFSA-N 0 3 382.464 3.620 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H]2c3ccccc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000473988232 855251374 /nfs/dbraw/zinc/25/13/74/855251374.db2.gz SQPVEOJNZZHPCG-LHSJRXKWSA-N 0 3 384.432 3.560 20 5 GHBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000590447568 855425110 /nfs/dbraw/zinc/42/51/10/855425110.db2.gz XVVPZUQGCSVRNN-YJBOKZPZSA-N 0 3 389.521 3.653 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CNCCC(=O)Nc1ccc(Br)cc1 ZINC000542692238 855460393 /nfs/dbraw/zinc/46/03/93/855460393.db2.gz YYQIKXHQXQWRSL-UHFFFAOYSA-N 0 3 392.253 3.784 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000765844666 855493936 /nfs/dbraw/zinc/49/39/36/855493936.db2.gz HLMMMHWLOVULNJ-JKSUJKDBSA-N 0 3 393.237 3.504 20 5 GHBDHN COC(=O)c1c(Cl)c(NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000590575170 855495074 /nfs/dbraw/zinc/49/50/74/855495074.db2.gz XFFQFFWIRVBADF-HNNXBMFYSA-N 0 3 395.818 3.889 20 5 GHBDHN COc1cc(CN2CCC[C@](C)(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129571284 855511376 /nfs/dbraw/zinc/51/13/76/855511376.db2.gz BURMHSYTYYHPHB-NRFANRHFSA-N 0 3 386.448 3.529 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000733107319 862722771 /nfs/dbraw/zinc/72/27/71/862722771.db2.gz KZTNYEPZALGINW-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CC[C@@H](C)NC(=O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507931817 856709014 /nfs/dbraw/zinc/70/90/14/856709014.db2.gz ZFSGWLKQXXNPPU-MRXNPFEDSA-N 0 3 384.480 3.757 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000427832790 856782682 /nfs/dbraw/zinc/78/26/82/856782682.db2.gz UZOQMAKMQQDMSI-VQIMIIECSA-N 0 3 397.475 3.901 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCc3c(C)cc(C)cc3C2)c([N+](=O)[O-])c1 ZINC000485857554 857160503 /nfs/dbraw/zinc/16/05/03/857160503.db2.gz JRYOAEUUGYMZJB-UHFFFAOYSA-N 0 3 383.448 3.607 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1F ZINC000593065597 857182667 /nfs/dbraw/zinc/18/26/67/857182667.db2.gz YTSSAMCFCJLLBP-INIZCTEOSA-N 0 3 375.400 3.812 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000520855029 857303388 /nfs/dbraw/zinc/30/33/88/857303388.db2.gz QIDSNRMYQVLPOR-HNAYVOBHSA-N 0 3 387.505 3.803 20 5 GHBDHN CC(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000520976730 857470580 /nfs/dbraw/zinc/47/05/80/857470580.db2.gz WUOUNOIZMYRWCF-FQEVSTJZSA-N 0 3 385.439 3.547 20 5 GHBDHN CC(C)N(CCN(C)C)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000486313575 857646796 /nfs/dbraw/zinc/64/67/96/857646796.db2.gz BUWXLOKLQWFDAT-UHFFFAOYSA-N 0 3 385.464 3.586 20 5 GHBDHN C[C@H](C(=O)N(CCCc1ccccc1)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000574617314 858117864 /nfs/dbraw/zinc/11/78/64/858117864.db2.gz FXIGVNQVMOYJDE-SFHVURJKSA-N 0 3 383.492 3.721 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H]([S@](C)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000594962650 858347793 /nfs/dbraw/zinc/34/77/93/858347793.db2.gz SIMBEBXWRAVVRC-GZVCGHTCSA-N 0 3 392.477 3.643 20 5 GHBDHN COc1cc(CNCCc2cnccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594968097 858349215 /nfs/dbraw/zinc/34/92/15/858349215.db2.gz NISWQMNNNSEKQO-UHFFFAOYSA-N 0 3 399.369 3.580 20 5 GHBDHN CC(C)(C)O[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000594990535 858360050 /nfs/dbraw/zinc/36/00/50/858360050.db2.gz ZUDXLQAILCAHJM-DLBZAZTESA-N 0 3 376.453 3.677 20 5 GHBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000121071802 858413436 /nfs/dbraw/zinc/41/34/36/858413436.db2.gz VMQUKOOHPGJRTR-DYVFJYSZSA-N 0 3 387.436 3.680 20 5 GHBDHN O=C(CCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000593126956 858724699 /nfs/dbraw/zinc/72/46/99/858724699.db2.gz ZHQDWSNRGVKVJW-ACRUOGEOSA-N 0 3 395.459 3.918 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCc3ccccc3-n3ccnc32)n1 ZINC000596096592 858783363 /nfs/dbraw/zinc/78/33/63/858783363.db2.gz UWMDUIVRZYFKRZ-ZHALLVOQSA-N 0 3 392.463 3.738 20 5 GHBDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000060100892 858875680 /nfs/dbraw/zinc/87/56/80/858875680.db2.gz FBFJNTTZEVECQK-UHFFFAOYSA-N 0 3 395.381 3.818 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2c(F)cccc2Cl)c(Cl)c1 ZINC000544354459 858892881 /nfs/dbraw/zinc/89/28/81/858892881.db2.gz BYBFUQUQLCQDER-NSHDSACASA-N 0 3 387.238 3.982 20 5 GHBDHN COc1ccc(C[C@H](C)NCc2cn(Cc3ccccc3)cn2)c([N+](=O)[O-])c1 ZINC001170324129 881359725 /nfs/dbraw/zinc/35/97/25/881359725.db2.gz OLCSWDICINRTRK-INIZCTEOSA-N 0 3 380.448 3.569 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@@H](O)C34CCOCC4)o2)c(Cl)c1 ZINC000923021601 858951335 /nfs/dbraw/zinc/95/13/35/858951335.db2.gz SUFPWDLTMVSXEB-ZWKOTPCHSA-N 0 3 392.839 3.528 20 5 GHBDHN COc1ccc([C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000193344974 859154264 /nfs/dbraw/zinc/15/42/64/859154264.db2.gz FQCXOFFANSESQY-LJQANCHMSA-N 0 3 389.839 3.936 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC(NC(=O)CC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170354356 881395152 /nfs/dbraw/zinc/39/51/52/881395152.db2.gz JNWDLDOUZJEEOX-HNNXBMFYSA-N 0 3 391.512 3.551 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000601581837 859354175 /nfs/dbraw/zinc/35/41/75/859354175.db2.gz QNXRPMSANLKKKW-SFHVURJKSA-N 0 3 389.427 3.554 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601619332 859379145 /nfs/dbraw/zinc/37/91/45/859379145.db2.gz BBVUAOMFRZPJOQ-UHFFFAOYSA-N 0 3 383.448 3.725 20 5 GHBDHN COCC[C@H](CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000466477687 859678954 /nfs/dbraw/zinc/67/89/54/859678954.db2.gz PSOMZWXMXBJOBD-CQSZACIVSA-N 0 3 380.828 3.528 20 5 GHBDHN Cc1c(Br)c(N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000543449096 859753483 /nfs/dbraw/zinc/75/34/83/859753483.db2.gz BALRHLVUNCNNPT-BZPMIXESSA-N 0 3 397.317 3.902 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611554405 859803284 /nfs/dbraw/zinc/80/32/84/859803284.db2.gz OOBPEHOTPJHMEJ-VXGBXAGGSA-N 0 3 389.374 3.595 20 5 GHBDHN COc1ccc(C[C@@H](C)N(CCOC(C)C)CCOC(C)C)c([N+](=O)[O-])c1 ZINC001170347053 881471460 /nfs/dbraw/zinc/47/14/60/881471460.db2.gz PTWRORCMZQHBBR-QGZVFWFLSA-N 0 3 382.501 3.686 20 5 GHBDHN CC(C)C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000543486031 859904294 /nfs/dbraw/zinc/90/42/94/859904294.db2.gz PXEGMZBFVKDJGZ-INIZCTEOSA-N 0 3 382.507 3.807 20 5 GHBDHN COc1cccc(CN2CCC(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000895799755 859964851 /nfs/dbraw/zinc/96/48/51/859964851.db2.gz NULZWHGSPFTUHX-UHFFFAOYSA-N 0 3 397.475 3.615 20 5 GHBDHN Cn1cc(CN2CC[C@H](Nc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092757627 860121600 /nfs/dbraw/zinc/12/16/00/860121600.db2.gz WEIXIXHXUJXISZ-IBGZPJMESA-N 0 3 377.448 3.682 20 5 GHBDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124127140 860238575 /nfs/dbraw/zinc/23/85/75/860238575.db2.gz RZWUSKPUYUPUOE-INIZCTEOSA-N 0 3 385.464 3.839 20 5 GHBDHN Cc1c(CC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000125007374 860553222 /nfs/dbraw/zinc/55/32/22/860553222.db2.gz ASUITCILZTXOSD-KRWDZBQOSA-N 0 3 381.476 3.569 20 5 GHBDHN O=c1ccc([C@@H]2OCC[C@H]2NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c[nH]1 ZINC000599002307 860719784 /nfs/dbraw/zinc/71/97/84/860719784.db2.gz MHJOUCZWXAMBTP-XLIONFOSSA-N 0 3 381.388 3.575 20 5 GHBDHN Cc1ccc(CNC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1F ZINC000183265930 863523965 /nfs/dbraw/zinc/52/39/65/863523965.db2.gz PDYVLAKHAVGWOA-UHFFFAOYSA-N 0 3 399.466 3.879 20 5 GHBDHN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000043466236 864342394 /nfs/dbraw/zinc/34/23/94/864342394.db2.gz KGUCADPUWUWUEO-IBGZPJMESA-N 0 3 384.436 3.562 20 5 GHBDHN COC[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000494489323 881786083 /nfs/dbraw/zinc/78/60/83/881786083.db2.gz CUXPCUYZOBWANA-FZKQIMNGSA-N 0 3 391.855 3.943 20 5 GHBDHN CN(C)[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301827795 865554147 /nfs/dbraw/zinc/55/41/47/865554147.db2.gz FWNMTIHIHIKLLD-ZDUSSCGKSA-N 0 3 383.221 3.606 20 5 GHBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000608877183 865784394 /nfs/dbraw/zinc/78/43/94/865784394.db2.gz QQICTGTYUGGODJ-SJLPKXTDSA-N 0 3 382.464 3.596 20 5 GHBDHN CSc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000456295309 866357478 /nfs/dbraw/zinc/35/74/78/866357478.db2.gz ATFJXROFKAJGAK-INIZCTEOSA-N 0 3 399.516 3.911 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000478756704 866567959 /nfs/dbraw/zinc/56/79/59/866567959.db2.gz NDLUFYWTUITKOV-GOSISDBHSA-N 0 3 390.509 3.847 20 5 GHBDHN C[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)OC(C)(C)C ZINC000793222575 882019817 /nfs/dbraw/zinc/01/98/17/882019817.db2.gz CIGAVDGDUDZWBI-ZDUSSCGKSA-N 0 3 375.425 3.858 20 5 GHBDHN C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000523482137 867374257 /nfs/dbraw/zinc/37/42/57/867374257.db2.gz UIYZYXBOXKJCPS-INIZCTEOSA-N 0 3 376.501 3.809 20 5 GHBDHN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000508854556 869350189 /nfs/dbraw/zinc/35/01/89/869350189.db2.gz SNSHYVQJCQTFRI-DNVCBOLYSA-N 0 3 384.480 3.821 20 5 GHBDHN C[C@]1(O)CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000539818559 869846342 /nfs/dbraw/zinc/84/63/42/869846342.db2.gz WXBFTWBAOAEXEJ-QFIPXVFZSA-N 0 3 392.459 3.794 20 5 GHBDHN COc1ccc2ccccc2c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000539837645 869878599 /nfs/dbraw/zinc/87/85/99/869878599.db2.gz QMAGKWROUKSMJQ-MRXNPFEDSA-N 0 3 378.432 3.838 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000446485164 869918966 /nfs/dbraw/zinc/91/89/66/869918966.db2.gz MYXPTPLIAABZMW-UHFFFAOYSA-N 0 3 382.464 3.862 20 5 GHBDHN COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000463198285 871112617 /nfs/dbraw/zinc/11/26/17/871112617.db2.gz DENSMTACCNRUMX-PBYMTVQHSA-N 0 3 380.460 3.894 20 5 GHBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000181625908 871292237 /nfs/dbraw/zinc/29/22/37/871292237.db2.gz JHYAJIROGXZYIU-MRXNPFEDSA-N 0 3 386.471 3.727 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000539382977 871869092 /nfs/dbraw/zinc/86/90/92/871869092.db2.gz WPKGWYMUAFHQDN-MRXNPFEDSA-N 0 3 391.493 3.868 20 5 GHBDHN CC1CCN(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000447678374 872086594 /nfs/dbraw/zinc/08/65/94/872086594.db2.gz ZFZQMNNSGNYPQE-UHFFFAOYSA-N 0 3 382.333 3.788 20 5 GHBDHN O=C(CCN1CCC[C@H]1Cc1cc(F)ccc1F)Nc1ccc([N+](=O)[O-])cc1 ZINC001195259418 872289159 /nfs/dbraw/zinc/28/91/59/872289159.db2.gz XEFAAMYMMSEGLG-SFHVURJKSA-N 0 3 389.402 3.909 20 5 GHBDHN COc1ccc(CN2CC([C@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000619432135 872644125 /nfs/dbraw/zinc/64/41/25/872644125.db2.gz FSQZMUZLFBRJRH-SFHVURJKSA-N 0 3 398.459 3.651 20 5 GHBDHN C[C@@H](c1ccccc1F)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460350994 872792294 /nfs/dbraw/zinc/79/22/94/872792294.db2.gz LDDPEKCTUFRPSI-AWEZNQCLSA-N 0 3 383.427 3.884 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182855891 872865602 /nfs/dbraw/zinc/86/56/02/872865602.db2.gz WYIHVKLBZITOHB-CQSZACIVSA-N 0 3 384.358 3.526 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC001196124694 872908991 /nfs/dbraw/zinc/90/89/91/872908991.db2.gz OCGJOUCBMUGJJD-BMGDILEWSA-N 0 3 389.496 3.946 20 5 GHBDHN Cc1ccc(CNCc2c(Cl)cccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000742391479 872911313 /nfs/dbraw/zinc/91/13/13/872911313.db2.gz JTOZWZURNGBINS-UHFFFAOYSA-N 0 3 388.899 3.598 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC[C@H](c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000475715527 882701585 /nfs/dbraw/zinc/70/15/85/882701585.db2.gz DGOJGVVKXIRRIS-IBGZPJMESA-N 0 3 398.459 3.916 20 5 GHBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)c1ccco1 ZINC000174704889 874037689 /nfs/dbraw/zinc/03/76/89/874037689.db2.gz XRAOKDJANKOQFN-KRWDZBQOSA-N 0 3 388.424 3.639 20 5 GHBDHN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000541784470 874257274 /nfs/dbraw/zinc/25/72/74/874257274.db2.gz NKYHMKAOSIJXDB-HNNXBMFYSA-N 0 3 386.427 3.862 20 5 GHBDHN C[NH+](C)CCOc1cc(Br)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201230116 875566304 /nfs/dbraw/zinc/56/63/04/875566304.db2.gz ZEHKXEQDGCOVJD-UHFFFAOYSA-N 0 3 396.241 3.747 20 5 GHBDHN CC(=O)NCCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCSCC1 ZINC000549849972 875621592 /nfs/dbraw/zinc/62/15/92/875621592.db2.gz GGJPFFZEYQBNTG-UHFFFAOYSA-N 0 3 379.526 3.552 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000850433370 876915980 /nfs/dbraw/zinc/91/59/80/876915980.db2.gz LOTJQTGOOUGMJV-GJZGRUSLSA-N 0 3 393.484 3.901 20 5 GHBDHN O=C1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C2CC2)N1 ZINC000551581391 877492134 /nfs/dbraw/zinc/49/21/34/877492134.db2.gz KODVURZCTIQKAK-LPHOPBHVSA-N 0 3 389.839 3.655 20 5 GHBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000492876116 877708626 /nfs/dbraw/zinc/70/86/26/877708626.db2.gz OEFVTWWHSBCJGV-UHFFFAOYSA-N 0 3 379.416 3.735 20 5 GHBDHN O=[N+]([O-])c1ccc(CCNCc2c(F)ccc(C3OCCO3)c2Cl)cc1 ZINC000787926638 877716164 /nfs/dbraw/zinc/71/61/64/877716164.db2.gz VQJWHKZUQYXFMJ-UHFFFAOYSA-N 0 3 380.803 3.765 20 5 GHBDHN C[C@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788573884 878176634 /nfs/dbraw/zinc/17/66/34/878176634.db2.gz RKYJQLFAICXCSG-ZDUSSCGKSA-N 0 3 380.404 3.873 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@H]2CCC[C@@]2(C)CO)cc1OC ZINC000493573856 879527336 /nfs/dbraw/zinc/52/73/36/879527336.db2.gz QWWXZZSUHJPDHY-GKCIPKSASA-N 0 3 380.485 3.669 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493709694 879605001 /nfs/dbraw/zinc/60/50/01/879605001.db2.gz UGPUMCXXTRXZIX-CRAIPNDOSA-N 0 3 388.411 3.541 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1F ZINC000790517592 879787267 /nfs/dbraw/zinc/78/72/67/879787267.db2.gz KWIKTMREFRRQQM-UHFFFAOYSA-N 0 3 385.439 3.779 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000543702997 880126440 /nfs/dbraw/zinc/12/64/40/880126440.db2.gz IQFQBBRLJBOLSB-SJLPKXTDSA-N 0 3 379.382 3.910 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000499115545 881184532 /nfs/dbraw/zinc/18/45/32/881184532.db2.gz HPHHEHMHSBRYDK-KDOFPFPSSA-N 0 3 388.443 3.705 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000499126812 881199813 /nfs/dbraw/zinc/19/98/13/881199813.db2.gz XWEZNXAELFWOOX-FTRWYGJKSA-N 0 3 384.480 3.955 20 5 GHBDHN CC(=O)c1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804812428 883374252 /nfs/dbraw/zinc/37/42/52/883374252.db2.gz NZYWPRAGMXOAMH-JOCHJYFZSA-N 0 3 379.460 3.900 20 5 GHBDHN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000477012533 883554386 /nfs/dbraw/zinc/55/43/86/883554386.db2.gz SMBSURQDAURHAU-OLZOCXBDSA-N 0 3 375.856 3.971 20 5 GHBDHN CN(C)CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000609725269 883597019 /nfs/dbraw/zinc/59/70/19/883597019.db2.gz SYMCNUAHYFRGBO-UHFFFAOYSA-N 0 3 397.903 3.740 20 5 GHBDHN CC(C)c1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000428539254 883834126 /nfs/dbraw/zinc/83/41/26/883834126.db2.gz PPSSEPNMNVMGJM-SFHVURJKSA-N 0 3 383.448 3.537 20 5 GHBDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000026466196 884259471 /nfs/dbraw/zinc/25/94/71/884259471.db2.gz ZTOAJNUQBARTBU-NEPJUHHUSA-N 0 3 384.274 3.806 20 5 GHBDHN O=[N+]([O-])c1cc(CNCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)cs1 ZINC000898164241 884623485 /nfs/dbraw/zinc/62/34/85/884623485.db2.gz UKCWQJKCSGRNGL-UHFFFAOYSA-N 0 3 386.395 3.771 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000537564396 885424145 /nfs/dbraw/zinc/42/41/45/885424145.db2.gz UPOYFGHBSXEUFF-QGZVFWFLSA-N 0 3 393.447 3.638 20 5 GHBDHN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)C(C[C@H]1CCCO1)C(F)(F)F ZINC001130956802 885449917 /nfs/dbraw/zinc/44/99/17/885449917.db2.gz HRNJHUQHVHCPKB-OCCSQVGLSA-N 0 3 383.326 3.829 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c2ncccc12 ZINC000301075947 886445224 /nfs/dbraw/zinc/44/52/24/886445224.db2.gz LOQJCBYGRQGFRI-UHFFFAOYSA-N 0 3 380.423 3.994 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000454330942 888868361 /nfs/dbraw/zinc/86/83/61/888868361.db2.gz XKCRKWPORDKBJK-OAHLLOKOSA-N 0 3 386.427 3.720 20 5 GHBDHN O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533054790 889634979 /nfs/dbraw/zinc/63/49/79/889634979.db2.gz QZDGTZHMZQQNQL-NRFANRHFSA-N 0 3 383.423 3.754 20 5 GHBDHN C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000455089305 890314918 /nfs/dbraw/zinc/31/49/18/890314918.db2.gz CWVSYTJDZLWCAH-OXJNMPFZSA-N 0 3 382.464 3.792 20 5 GHBDHN CCOC(=O)c1csc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)n1 ZINC000872065330 891135086 /nfs/dbraw/zinc/13/50/86/891135086.db2.gz YSUUZEQYUNNFMH-LLVKDONJSA-N 0 3 395.506 3.843 20 5 GHBDHN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103793 891274808 /nfs/dbraw/zinc/27/48/08/891274808.db2.gz UCBKOQQOOGLDMU-JTQLQIEISA-N 0 3 382.825 3.784 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCCOc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000237854920 892457997 /nfs/dbraw/zinc/45/79/97/892457997.db2.gz OAQQXAQZIOOVEY-UHFFFAOYSA-N 0 3 375.734 3.831 20 5 GHBDHN CCNc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000498128574 893354627 /nfs/dbraw/zinc/35/46/27/893354627.db2.gz VKXWLLADAPACKH-UHFFFAOYSA-N 0 3 384.480 3.539 20 5 GHBDHN COC1CCC(N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878109028 894024339 /nfs/dbraw/zinc/02/43/39/894024339.db2.gz MFUXFVNSVOWPGQ-UHFFFAOYSA-N 0 3 380.832 3.688 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)o1 ZINC000879053888 894807922 /nfs/dbraw/zinc/80/79/22/894807922.db2.gz GZWXONBGKIARPM-RYQLBKOJSA-N 0 3 376.416 3.880 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCCN2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000237863313 895218946 /nfs/dbraw/zinc/21/89/46/895218946.db2.gz FGJFXNDWNANKNG-UHFFFAOYSA-N 0 3 394.928 3.612 20 5 GHBDHN COc1ccccc1[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])N1CCCC1 ZINC000024341870 896081191 /nfs/dbraw/zinc/08/11/91/896081191.db2.gz NQNJGTYTXHSBHN-MRXNPFEDSA-N 0 3 381.436 3.500 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2CSc3ccc(Br)cc32)cc1 ZINC000819271363 896558737 /nfs/dbraw/zinc/55/87/37/896558737.db2.gz QYTSPWSWRZWODL-GJZGRUSLSA-N 0 3 395.278 3.827 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CSc3ccc(Br)cc32)cc1 ZINC000819271362 896559288 /nfs/dbraw/zinc/55/92/88/896559288.db2.gz QYTSPWSWRZWODL-CABCVRRESA-N 0 3 395.278 3.827 20 5 GHBDHN O=C1NCCN1c1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000883287328 897447280 /nfs/dbraw/zinc/44/72/80/897447280.db2.gz ROSZNNXWBQGEQA-FQEVSTJZSA-N 0 3 380.448 3.682 20 5 GHBDHN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@@H](N2CCCCC2)C1 ZINC000568954382 898235020 /nfs/dbraw/zinc/23/50/20/898235020.db2.gz NMBKFEDEXRIJHN-LLVKDONJSA-N 0 3 394.344 3.709 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1sc(C)nc1C ZINC000106877004 898296469 /nfs/dbraw/zinc/29/64/69/898296469.db2.gz WQILSVRUSWDHJW-GFCCVEGCSA-N 0 3 392.481 3.698 20 5 GHBDHN CC(C)[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000569171244 898388269 /nfs/dbraw/zinc/38/82/69/898388269.db2.gz NQVYEFFLOAWNMT-VGSWGCGISA-N 0 3 395.503 3.897 20 5 GHBDHN CSc1ncc(Cl)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845872109 902473948 /nfs/dbraw/zinc/47/39/48/902473948.db2.gz BVUKVMKIJPMXSI-SDBXPKJASA-N 0 3 385.804 3.554 20 5 GHBDHN COc1cccc2c1OCC(C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])=C2 ZINC000845874622 902476899 /nfs/dbraw/zinc/47/68/99/902476899.db2.gz IWNSXLOELJPUEM-XIKOKIGWSA-N 0 3 387.363 3.560 20 5 GHBDHN CC([C@@H](OC(=O)CCc1nnc(C2CCCC2)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845876711 902480987 /nfs/dbraw/zinc/48/09/87/902480987.db2.gz OAMUSMVFTWLPHZ-KPZWWZAWSA-N 0 3 391.399 3.749 20 5 GHBDHN CC([C@H](OC(=O)CCC(=O)c1cccc(F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845879536 902482535 /nfs/dbraw/zinc/48/25/35/902482535.db2.gz VRTOZGLLWNDWSI-BUXKBTBVSA-N 0 3 377.343 3.877 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1F)[N+](=O)[O-] ZINC000845880187 902483657 /nfs/dbraw/zinc/48/36/57/902483657.db2.gz ZGGIJOFIQFIRSF-CWTRNNRKSA-N 0 3 386.379 3.664 20 5 GHBDHN CC([C@H](OC(=O)c1csc(C(F)(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845884332 902488359 /nfs/dbraw/zinc/48/83/59/902488359.db2.gz XRPYGDXCDHHULR-HQJQHLMTSA-N 0 3 378.303 3.864 20 5 GHBDHN COc1cc(C(=O)N(CCN2CCCC2)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000578271602 903677072 /nfs/dbraw/zinc/67/70/72/903677072.db2.gz BKDWNNMXWNJGFI-UHFFFAOYSA-N 0 3 383.448 3.654 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1F ZINC001173176310 906253075 /nfs/dbraw/zinc/25/30/75/906253075.db2.gz HMCYWFJFOQEKLT-XHDPSFHLSA-N 0 3 378.375 3.926 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001173223492 906304230 /nfs/dbraw/zinc/30/42/30/906304230.db2.gz ANJNWXHOTXATHQ-RHSMWYFYSA-N 0 3 375.469 3.515 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001173228602 906312019 /nfs/dbraw/zinc/31/20/19/906312019.db2.gz RMYYCVMMINIZQP-UQASEVPWSA-N 0 3 397.450 3.511 20 5 GHBDHN CC[C@@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178462542 906346631 /nfs/dbraw/zinc/34/66/31/906346631.db2.gz OROQAVRZPAGNFK-FZKQIMNGSA-N 0 3 377.466 3.768 20 5 GHBDHN O=C1CCCN1Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192708666 908816740 /nfs/dbraw/zinc/81/67/40/908816740.db2.gz MAPQDHYIYAECNJ-OAQYLSRUSA-N 0 3 379.460 3.884 20 5 GHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1OC ZINC000270400971 910550515 /nfs/dbraw/zinc/55/05/15/910550515.db2.gz WEYXFTSSRWQAHU-UHFFFAOYSA-N 0 3 387.436 3.624 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC ZINC000775081726 914997391 /nfs/dbraw/zinc/99/73/91/914997391.db2.gz WJNRLYGCXSXIHB-INIZCTEOSA-N 0 3 387.436 3.682 20 5 GHBDHN C[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294835749 917004658 /nfs/dbraw/zinc/00/46/58/917004658.db2.gz RKCNFAGYMJBCCV-OAHLLOKOSA-N 0 3 382.464 3.654 20 5 GHBDHN COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000775445047 917842256 /nfs/dbraw/zinc/84/22/56/917842256.db2.gz ZWGXUSXBUOGYPJ-IRXDYDNUSA-N 0 3 384.354 3.624 20 5 GHBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCCO)C(c1ccccc1)c1ccccc1 ZINC001191949670 918314270 /nfs/dbraw/zinc/31/42/70/918314270.db2.gz MSUSOGDLYIAVRA-UHFFFAOYSA-N 0 3 394.475 3.574 20 5 GHBDHN CC(C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000116602642 919513802 /nfs/dbraw/zinc/51/38/02/919513802.db2.gz VMOXLQJPPQVKTJ-UHFFFAOYSA-N 0 3 392.253 3.821 20 5 GHBDHN COc1ccc([C@@H]2CCCN2CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000117333895 919537169 /nfs/dbraw/zinc/53/71/69/919537169.db2.gz LRPAYVQXBWUGKP-SFHVURJKSA-N 0 3 397.431 3.739 20 5 GHBDHN CC(C)N(C)C(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000119763127 919653558 /nfs/dbraw/zinc/65/35/58/919653558.db2.gz RMCWHJBCGXHRAS-UHFFFAOYSA-N 0 3 385.464 3.934 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000298300853 920379424 /nfs/dbraw/zinc/37/94/24/920379424.db2.gz LSQVIKTYLJXYSM-UHFFFAOYSA-N 0 3 389.477 3.646 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000008003775 920915238 /nfs/dbraw/zinc/91/52/38/920915238.db2.gz UFXZTUNYNOCPFH-IBGZPJMESA-N 0 3 375.400 3.668 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(OC[C@@H]4CCOC4)CC3)o2)cc1 ZINC000368166971 922512437 /nfs/dbraw/zinc/51/24/37/922512437.db2.gz ZJJVKRGGPUBZLH-MRXNPFEDSA-N 0 3 386.448 3.872 20 5 GHBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000409874391 925086061 /nfs/dbraw/zinc/08/60/61/925086061.db2.gz OBBOUQNPSUBXPZ-LBPRGKRZSA-N 0 3 379.363 3.876 20 5 GHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411157812 926153113 /nfs/dbraw/zinc/15/31/13/926153113.db2.gz NKEGWGZCDFGNHB-HBMCJLEFSA-N 0 3 379.460 3.652 20 5 GHBDHN O=C(CCN1CCC[C@H]1c1cccc2c1OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411220397 926221644 /nfs/dbraw/zinc/22/16/44/926221644.db2.gz SBRBBSDBBZXCFC-SFHVURJKSA-N 0 3 397.431 3.532 20 5 GHBDHN COC(=O)N1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000726607902 926761280 /nfs/dbraw/zinc/76/12/80/926761280.db2.gz XCOAWOWCXJLOEI-LBPRGKRZSA-N 0 3 393.827 3.829 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127808 927128637 /nfs/dbraw/zinc/12/86/37/927128637.db2.gz LWCKQOUCLWLUAB-BULFRSBZSA-N 0 3 393.487 3.821 20 5 GHBDHN COc1cc(CNC[C@@H]2CCCCS2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000544370584 929100485 /nfs/dbraw/zinc/10/04/85/929100485.db2.gz GMZIKSFVAWZKDN-LBPRGKRZSA-N 0 3 394.415 3.920 20 5 GHBDHN CSc1ccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467696738 929311351 /nfs/dbraw/zinc/31/13/51/929311351.db2.gz JOUHELFJYBWHNQ-YOEHRIQHSA-N 0 3 385.489 3.710 20 5 GHBDHN CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757113793 929652647 /nfs/dbraw/zinc/65/26/47/929652647.db2.gz ZJQHVXGPFUUVQP-CRAIPNDOSA-N 0 3 393.484 3.599 20 5 GHBDHN O=C(CCN1CC[C@H](c2c(F)cccc2F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000469451819 929903987 /nfs/dbraw/zinc/90/39/87/929903987.db2.gz GBZGXVWCEFZKNL-ZDUSSCGKSA-N 0 3 375.375 3.691 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000784504964 931916484 /nfs/dbraw/zinc/91/64/84/931916484.db2.gz KXZDYCSFIBFISN-BPQIPLTHSA-N 0 3 375.469 3.720 20 5 GHBDHN COC[C@]1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC000797122224 932191965 /nfs/dbraw/zinc/19/19/65/932191965.db2.gz CJNQEXVDBZRMMI-FOIQADDNSA-N 0 3 393.484 3.662 20 5 GHBDHN COCCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCSC1 ZINC000559247818 932548873 /nfs/dbraw/zinc/54/88/73/932548873.db2.gz JBQQZQTWSAXQKP-CQSZACIVSA-N 0 3 378.416 3.958 20 5 GHBDHN COc1c(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC001625779626 1014152319 /nfs/dbraw/zinc/15/23/19/1014152319.db2.gz YVWJFHDSNXDNBY-HXUWFJFHSA-N 0 3 399.491 3.835 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000930135496 1017791814 /nfs/dbraw/zinc/79/18/14/1017791814.db2.gz GAADZVXDGBQKCV-UHFFFAOYSA-N 0 3 391.855 3.890 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@H]3CCCC[C@@]34CNCCO4)c2c1 ZINC001155833853 1032732688 /nfs/dbraw/zinc/73/26/88/1032732688.db2.gz RNDMGSMQWKIALS-FUHWJXTLSA-N 0 3 376.844 3.510 20 5 GHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C2CCOCC2)C1 ZINC000933080992 1018838383 /nfs/dbraw/zinc/83/83/83/1018838383.db2.gz FPACOVINIBMXCC-WMLDXEAASA-N 0 3 386.452 3.844 20 5 GHBDHN C[C@@H]1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 ZINC000779009920 1020191000 /nfs/dbraw/zinc/19/10/00/1020191000.db2.gz QRWGJJFOTSWRLF-ZIAGYGMSSA-N 0 3 387.402 3.551 20 5 GHBDHN Cc1c([C@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)cccc1[N+](=O)[O-] ZINC000834905568 1021657857 /nfs/dbraw/zinc/65/78/57/1021657857.db2.gz ZLSQRCGUDPEFOZ-HOTGVXAUSA-N 0 3 393.484 3.580 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC001203062022 1022384676 /nfs/dbraw/zinc/38/46/76/1022384676.db2.gz LKIBFIJUWLDYBR-GOSISDBHSA-N 0 3 377.391 3.877 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754099644 1022480892 /nfs/dbraw/zinc/48/08/92/1022480892.db2.gz WZUUHSQMQDSJTO-XQAUZQBESA-N 0 3 397.450 3.980 20 5 GHBDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000755121594 1023082084 /nfs/dbraw/zinc/08/20/84/1023082084.db2.gz QPVIPFBCKQSSSX-UYSIFFEZSA-N 0 3 389.839 3.730 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001204952519 1033182040 /nfs/dbraw/zinc/18/20/40/1033182040.db2.gz DTWCTHHTSJSWSX-HUUCEWRRSA-N 0 3 393.484 3.729 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000831314124 1024486962 /nfs/dbraw/zinc/48/69/62/1024486962.db2.gz GGJPNVPAFVVRIO-HFBAOOFYSA-N 0 3 381.860 3.513 20 5 GHBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001162120807 1025616833 /nfs/dbraw/zinc/61/68/33/1025616833.db2.gz UOIZZBCGBWAJRU-QGZVFWFLSA-N 0 3 380.423 3.781 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1Cl ZINC000839235541 1025748445 /nfs/dbraw/zinc/74/84/45/1025748445.db2.gz IPRSUAKZBYNVOO-UHFFFAOYSA-N 0 3 391.855 3.886 20 5 GHBDHN CC[C@@H](c1ccccc1)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001162626619 1025838540 /nfs/dbraw/zinc/83/85/40/1025838540.db2.gz ZVVRALJLLJDKNG-SFHVURJKSA-N 0 3 377.448 3.811 20 5 GHBDHN CC(C)(C)OC(=O)c1ccc(N[C@@H]2CNCc3ccsc32)cc1[N+](=O)[O-] ZINC001163229879 1026097294 /nfs/dbraw/zinc/09/72/94/1026097294.db2.gz RRVSRNVGPZSOLG-CQSZACIVSA-N 0 3 375.450 3.868 20 5 GHBDHN COC(OC)[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001203458255 1027352657 /nfs/dbraw/zinc/35/26/57/1027352657.db2.gz ZAPBMPOUNAWFGG-OAHLLOKOSA-N 0 3 396.447 3.545 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000841024405 1028050495 /nfs/dbraw/zinc/05/04/95/1028050495.db2.gz STQYTYHKNZBRAB-RJJVWVDVSA-N 0 3 391.471 3.841 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)N(C)C)cc1 ZINC001142539537 1029036798 /nfs/dbraw/zinc/03/67/98/1029036798.db2.gz SBRNNFGNKQENGO-FQEVSTJZSA-N 0 3 381.476 3.744 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O[C@@H]1CNCc2ccccc21 ZINC001218492512 1030960298 /nfs/dbraw/zinc/96/02/98/1030960298.db2.gz YUUQYQFISAHJMZ-CQSZACIVSA-N 0 3 383.282 3.745 20 5 GHBDHN CCc1noc([C@H]2CC[C@H](NCc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC001461795824 1069752113 /nfs/dbraw/zinc/75/21/13/1069752113.db2.gz DXGRMVOPXCSTGU-JQWIXIFHSA-N 0 3 382.367 3.568 20 5 GHBDHN CN(CCN(C)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC001157552075 1033655198 /nfs/dbraw/zinc/65/51/98/1033655198.db2.gz ZPQOKGVMHALOQA-UHFFFAOYSA-N 0 3 384.814 3.756 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC001206062568 1033706173 /nfs/dbraw/zinc/70/61/73/1033706173.db2.gz BGYPZTSFNPWPJS-AEFFLSMTSA-N 0 3 380.366 3.869 20 5 GHBDHN COc1cc(CNCC[C@H]2CCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC001206847727 1034032548 /nfs/dbraw/zinc/03/25/48/1034032548.db2.gz RXPBEBORXHKLRQ-GFCCVEGCSA-N 0 3 376.425 3.623 20 5 GHBDHN CN1CCC(N(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C2CCCC2)CC1 ZINC001158487638 1034105231 /nfs/dbraw/zinc/10/52/31/1034105231.db2.gz KRZOSJOMRZKXSG-UHFFFAOYSA-N 0 3 381.480 3.895 20 5 GHBDHN O=[N+]([O-])c1cccc2nc(NC3CCN(Cc4ccc(O)cc4)CC3)ccc21 ZINC001161131520 1035152999 /nfs/dbraw/zinc/15/29/99/1035152999.db2.gz OZVBZSOEJDPOMT-UHFFFAOYSA-N 0 3 378.432 3.925 20 5 GHBDHN O=[N+]([O-])c1ccc2ncccc2c1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001233786674 1039618166 /nfs/dbraw/zinc/61/81/66/1039618166.db2.gz QRQVEBREYXXXIF-SFHVURJKSA-N 0 3 393.443 3.813 20 5 GHBDHN CC(C)N(C)Cc1cnc2n1CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254556437 1040326404 /nfs/dbraw/zinc/32/64/04/1040326404.db2.gz KZTISJQJFBTXLL-DLBZAZTESA-N 0 3 385.512 3.639 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1ccc(Br)c(Cl)n1)C2 ZINC001254578167 1040354221 /nfs/dbraw/zinc/35/42/21/1040354221.db2.gz JYQIOVUHZHXOMS-LBPRGKRZSA-N 0 3 382.645 3.663 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1COc3cc(Br)ccc31)C2 ZINC001254585194 1040359006 /nfs/dbraw/zinc/35/90/06/1040359006.db2.gz LJPKSXFQLYNSMX-CZUORRHYSA-N 0 3 375.222 3.548 20 5 GHBDHN COCC1(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCOCC1 ZINC001261232455 1045930765 /nfs/dbraw/zinc/93/07/65/1045930765.db2.gz GYUSXUPHZPITQY-UHFFFAOYSA-N 0 3 380.828 3.793 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC001307495487 1049334555 /nfs/dbraw/zinc/33/45/55/1049334555.db2.gz DORNWRJZTQWVOI-LJQANCHMSA-N 0 3 376.453 3.514 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(C)[C@H](C)[C@@H]2C)cc1OC ZINC001307629912 1049462848 /nfs/dbraw/zinc/46/28/48/1049462848.db2.gz NGFVZHJEOMZVSF-XHSDSOJGSA-N 0 3 379.501 3.553 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC001307743316 1049555869 /nfs/dbraw/zinc/55/58/69/1049555869.db2.gz DNHNLKVAIRQWAW-ZTFGCOKTSA-N 0 3 375.469 3.639 20 5 GHBDHN Cc1ccc(CN[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001307913127 1049690641 /nfs/dbraw/zinc/69/06/41/1049690641.db2.gz HRBWBKSGBBZMEX-HNNXBMFYSA-N 0 3 393.365 3.513 20 5 GHBDHN COc1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC000903079706 1049958581 /nfs/dbraw/zinc/95/85/81/1049958581.db2.gz NRQILEVVEGBABP-CVEARBPZSA-N 0 3 385.464 3.852 20 5 GHBDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001308432906 1049975071 /nfs/dbraw/zinc/97/50/71/1049975071.db2.gz DJPGMASBHNQYAE-NVXWUHKLSA-N 0 3 394.855 3.652 20 5 GHBDHN O=C1CC[C@H]2CN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC[C@@H]2N1 ZINC001330864944 1051132674 /nfs/dbraw/zinc/13/26/74/1051132674.db2.gz DFAATZLHSDODNH-LRDDRELGSA-N 0 3 389.839 3.609 20 5 GHBDHN CN(C)[C@@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1cccs1 ZINC001323542434 1056983389 /nfs/dbraw/zinc/98/33/89/1056983389.db2.gz HRODRMIWQRIUBD-ZDUSSCGKSA-N 0 3 377.857 3.968 20 5 GHBDHN CN(C)CCN(Cc1cccs1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001355330798 1057122426 /nfs/dbraw/zinc/12/24/26/1057122426.db2.gz HDFGVAGMMPCYAN-UHFFFAOYSA-N 0 3 395.912 3.833 20 5 GHBDHN COc1cccc(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001438357669 1064041890 /nfs/dbraw/zinc/04/18/90/1064041890.db2.gz ISCIYIGIKWONNI-SFHVURJKSA-N 0 3 397.475 3.778 20 5 GHBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001459895354 1064260976 /nfs/dbraw/zinc/26/09/76/1064260976.db2.gz WWPIDOFOLWWHPB-BBRMVZONSA-N 0 3 385.258 3.569 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001466376544 1066122139 /nfs/dbraw/zinc/12/21/39/1066122139.db2.gz OHVRLLBYUVJJQN-MAUKXSAKSA-N 0 3 398.463 3.778 20 5 GHBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[C@@H](C)C1 ZINC001468771816 1067875120 /nfs/dbraw/zinc/87/51/20/1067875120.db2.gz YLBZLBZADPMMBW-INIZCTEOSA-N 0 3 383.448 3.943 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC001470133596 1068590255 /nfs/dbraw/zinc/59/02/55/1068590255.db2.gz HRYHASRKVCYQOT-HLLBOEOZSA-N 0 3 388.468 3.720 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN([C@@H](C)c2ccccc2)CC1 ZINC001460709158 1069108994 /nfs/dbraw/zinc/10/89/94/1069108994.db2.gz VQGVBUGEVOVYLZ-SFHVURJKSA-N 0 3 396.491 3.611 20 5 GHBDHN Cc1c(CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC001478429587 1078865327 /nfs/dbraw/zinc/86/53/27/1078865327.db2.gz NAZGGRNXEHJRII-HXUWFJFHSA-N 0 3 398.507 3.859 20 5 GHBDHN Cc1ccc(CN2CC[C@H](NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001471142671 1072940174 /nfs/dbraw/zinc/94/01/74/1072940174.db2.gz ARTWAWKMISDDTJ-SFHVURJKSA-N 0 3 396.491 3.712 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](c1cccc(F)c1)N(C)C ZINC001472635595 1073589114 /nfs/dbraw/zinc/58/91/14/1073589114.db2.gz XMRLNHZHJMWTCD-INIZCTEOSA-N 0 3 395.818 3.889 20 5 GHBDHN CC(C)C1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC001472715248 1073631896 /nfs/dbraw/zinc/63/18/96/1073631896.db2.gz AKCPTANHRQAWNB-UHFFFAOYSA-N 0 3 376.457 3.840 20 5 GHBDHN CSc1ccc(OC[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001473121977 1073789829 /nfs/dbraw/zinc/78/98/29/1073789829.db2.gz LXNACGLDIGTOLE-GOSISDBHSA-N 0 3 390.505 3.967 20 5 GHBDHN CC(C)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1Cc1ccccc1 ZINC001473645069 1074064699 /nfs/dbraw/zinc/06/46/99/1074064699.db2.gz JELLPAWFIJMZDZ-OAQYLSRUSA-N 0 3 393.491 3.814 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001473991409 1074228480 /nfs/dbraw/zinc/22/84/80/1074228480.db2.gz LVKQSQCNNXEVEU-HNNXBMFYSA-N 0 3 393.484 3.730 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001473991410 1074228523 /nfs/dbraw/zinc/22/85/23/1074228523.db2.gz LVKQSQCNNXEVEU-OAHLLOKOSA-N 0 3 393.484 3.730 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@H](O)c3ccnn3C)cc2[N+](=O)[O-])cc1 ZINC001474279318 1074323659 /nfs/dbraw/zinc/32/36/59/1074323659.db2.gz QJOUWXHWKHUGJE-IBGZPJMESA-N 0 3 398.488 3.611 20 5 GHBDHN COc1c(O)ccc(CN(C)CCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC001474338617 1074350903 /nfs/dbraw/zinc/35/09/03/1074350903.db2.gz XKZPGDFVKDMBBI-UHFFFAOYSA-N 0 3 396.447 3.764 20 5 GHBDHN O=[N+]([O-])c1sc(CNC[C@H]2CCN2C2CCCCC2)cc1Br ZINC001474630764 1074491088 /nfs/dbraw/zinc/49/10/88/1074491088.db2.gz SVHDPXIHFXXEHD-GFCCVEGCSA-N 0 3 388.331 3.915 20 5 GHBDHN CC[C@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820925373 607018492 /nfs/dbraw/zinc/01/84/92/607018492.db2.gz IDZCPSFETOAUHH-SFHVURJKSA-N 0 3 398.492 3.749 20 5 GHBDHN CC[C@H]([NH2+]CCSCc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820925373 607018493 /nfs/dbraw/zinc/01/84/93/607018493.db2.gz IDZCPSFETOAUHH-SFHVURJKSA-N 0 3 398.492 3.749 20 5 GHBDHN CCOc1cc(CN2CCCCC2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000180843157 837599393 /nfs/dbraw/zinc/59/93/93/837599393.db2.gz HNUBFLAOOIKUHV-UHFFFAOYSA-N 0 3 388.468 3.563 20 5 GHBDHN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000176761063 837734954 /nfs/dbraw/zinc/73/49/54/837734954.db2.gz OOXMCBGSBZKVAC-UHFFFAOYSA-N 0 3 377.828 3.684 20 5 GHBDHN COC(=O)c1cc2c(o1)c(OC)ccc2CNCc1cccc([N+](=O)[O-])c1C ZINC000480440848 834689325 /nfs/dbraw/zinc/68/93/25/834689325.db2.gz FMFDBOIUTXPRNY-UHFFFAOYSA-N 0 3 384.388 3.734 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179462015 835717132 /nfs/dbraw/zinc/71/71/32/835717132.db2.gz AWSQIWZLADZYGC-LEWJYISDSA-N 0 3 396.491 3.960 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1 ZINC000584236152 835794175 /nfs/dbraw/zinc/79/41/75/835794175.db2.gz VADCWDJMNRLORG-HXUWFJFHSA-N 0 3 385.464 3.723 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3cc(Br)cn3)o2)cc1 ZINC000513027011 844111768 /nfs/dbraw/zinc/11/17/68/844111768.db2.gz HZYXRPNSAMHMIQ-UHFFFAOYSA-N 0 3 391.225 3.604 20 5 GHBDHN CC[C@@H](NC[C@@H](O)COc1ccc(SC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000411473489 836176502 /nfs/dbraw/zinc/17/65/02/836176502.db2.gz KGRXXXGQMWHZFI-VQIMIIECSA-N 0 3 376.478 3.797 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000548952684 836558466 /nfs/dbraw/zinc/55/84/66/836558466.db2.gz SLCMRQBHIXAZLF-WBVHZDCISA-N 0 3 383.448 3.559 20 5 GHBDHN O=C(NCc1ccco1)c1cccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000582654374 836578637 /nfs/dbraw/zinc/57/86/37/836578637.db2.gz OJGWFESQYPBXPM-WTKPLQERSA-N 0 3 391.427 3.921 20 5 GHBDHN C[C@@]1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000180192415 836600267 /nfs/dbraw/zinc/60/02/67/836600267.db2.gz MBQMYOAFVACKPU-MRXNPFEDSA-N 0 3 381.226 3.574 20 5 GHBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473357282 844237147 /nfs/dbraw/zinc/23/71/47/844237147.db2.gz AQPMUTJJGUSQIP-CQSZACIVSA-N 0 3 375.375 3.724 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000613188949 837376855 /nfs/dbraw/zinc/37/68/55/837376855.db2.gz PRXAXFHBEWJQKC-PKOBYXMFSA-N 0 3 397.475 3.519 20 5 GHBDHN COc1ccc(OCCN2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000247233081 837835573 /nfs/dbraw/zinc/83/55/73/837835573.db2.gz SHJCIZGZCQEJMP-WMLDXEAASA-N 0 3 392.477 3.632 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189607172 838317731 /nfs/dbraw/zinc/31/77/31/838317731.db2.gz FDGYIGPWAYZEKC-BBRMVZONSA-N 0 3 376.375 3.567 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC001125870335 838725891 /nfs/dbraw/zinc/72/58/91/838725891.db2.gz FKJKIPRNSFLSHX-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000471533903 838790299 /nfs/dbraw/zinc/79/02/99/838790299.db2.gz YOMXLFWCZUZOHN-VLIAUNLRSA-N 0 3 382.464 3.590 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOCC3(CCOCC3)C2)s1 ZINC000183273590 839265498 /nfs/dbraw/zinc/26/54/98/839265498.db2.gz WZPXPBQFRKETQS-UHFFFAOYSA-N 0 3 388.489 3.952 20 5 GHBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275924551 839886968 /nfs/dbraw/zinc/88/69/68/839886968.db2.gz GXGSDCNWDVDUEP-IERDGZPVSA-N 0 3 375.472 3.650 20 5 GHBDHN Cc1ccc(C)c2c1CCC[C@H]2NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000471603265 839924559 /nfs/dbraw/zinc/92/45/59/839924559.db2.gz RVUNCUSIDFXGHU-LJQANCHMSA-N 0 3 388.489 3.653 20 5 GHBDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000126414291 841053202 /nfs/dbraw/zinc/05/32/02/841053202.db2.gz QGMIVHJQWUNFKU-JKSUJKDBSA-N 0 3 382.464 3.873 20 5 GHBDHN CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000500123827 841478666 /nfs/dbraw/zinc/47/86/66/841478666.db2.gz MKDQSEAXDUXWAW-INIZCTEOSA-N 0 3 398.463 3.663 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500148218 841518155 /nfs/dbraw/zinc/51/81/55/841518155.db2.gz JZXMXTNVPLDBAH-QFBILLFUSA-N 0 3 381.476 3.509 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCN(CC(F)F)C3)o2)c(Cl)c1 ZINC000418142439 841562124 /nfs/dbraw/zinc/56/21/24/841562124.db2.gz YHDHVYPHKVDJEJ-NSHDSACASA-N 0 3 385.798 3.937 20 5 GHBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000600230616 861317951 /nfs/dbraw/zinc/31/79/51/861317951.db2.gz WTTYBXCVZGUHEM-ZDUSSCGKSA-N 0 3 385.386 3.750 20 5 GHBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C1=CCN(C)CC1 ZINC000512113550 842540322 /nfs/dbraw/zinc/54/03/22/842540322.db2.gz LMIZJJKUWBWJJR-MRXNPFEDSA-N 0 3 394.475 3.587 20 5 GHBDHN C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@H](C)C1 ZINC000581923233 842698937 /nfs/dbraw/zinc/69/89/37/842698937.db2.gz IWHFPDPDOFBWAL-JKSUJKDBSA-N 0 3 377.488 3.532 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600229025 861350805 /nfs/dbraw/zinc/35/08/05/861350805.db2.gz NPPGZXAVBCKJIB-WMLDXEAASA-N 0 3 377.510 3.599 20 5 GHBDHN COc1ccc([C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)N2CCCC2)cc1 ZINC000302867537 861392195 /nfs/dbraw/zinc/39/21/95/861392195.db2.gz ZNCSINMHJHFHTG-HXUWFJFHSA-N 0 3 382.464 3.820 20 5 GHBDHN CN(C)C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000549617144 843719226 /nfs/dbraw/zinc/71/92/26/843719226.db2.gz OWYLYQZQGIWTGQ-QGZVFWFLSA-N 0 3 393.896 3.759 20 5 GHBDHN CN(C)C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000549617142 843719569 /nfs/dbraw/zinc/71/95/69/843719569.db2.gz OWYLYQZQGIWTGQ-KRWDZBQOSA-N 0 3 393.896 3.759 20 5 GHBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000067205083 843908495 /nfs/dbraw/zinc/90/84/95/843908495.db2.gz MYTUTKLRMWRCHL-MRXNPFEDSA-N 0 3 381.457 3.943 20 5 GHBDHN O=C(N1CCCC1)N1CCC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000512892967 843945993 /nfs/dbraw/zinc/94/59/93/843945993.db2.gz ZCEDSPXOIXJWQJ-INIZCTEOSA-N 0 3 398.463 3.625 20 5 GHBDHN CC(C)(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000429863757 845419587 /nfs/dbraw/zinc/41/95/87/845419587.db2.gz UPXHLFNOSYUSPG-FQEVSTJZSA-N 0 3 381.476 3.826 20 5 GHBDHN Cc1cnc(C2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000277375255 845878313 /nfs/dbraw/zinc/87/83/13/845878313.db2.gz HLXRBJUVDSVNCW-UHFFFAOYSA-N 0 3 388.493 3.876 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccc(OC)c1 ZINC000481554078 861667730 /nfs/dbraw/zinc/66/77/30/861667730.db2.gz GFAYJGQPJBJJGX-KRWDZBQOSA-N 0 3 391.493 3.786 20 5 GHBDHN O=C(CCN1CCC[C@@H]1c1cccc2c1OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000501114207 846662113 /nfs/dbraw/zinc/66/21/13/846662113.db2.gz CTORYBXISMVBFG-QGZVFWFLSA-N 0 3 397.431 3.532 20 5 GHBDHN CC[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000604075466 861712494 /nfs/dbraw/zinc/71/24/94/861712494.db2.gz UKPNONLKROJMIA-JXFKEZNVSA-N 0 3 396.491 3.792 20 5 GHBDHN CC[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)N1CCc2ccccc2C1 ZINC000501347000 846859319 /nfs/dbraw/zinc/85/93/19/846859319.db2.gz KHEDDZXNBREGAE-KRWDZBQOSA-N 0 3 398.463 3.562 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183389843 847400860 /nfs/dbraw/zinc/40/08/60/847400860.db2.gz VXUDUVRWCBZYCM-GOSISDBHSA-N 0 3 387.411 3.524 20 5 GHBDHN COc1cc(C[NH2+]CCc2ccc(F)c(Br)c2)c([N+](=O)[O-])cc1[O-] ZINC000237196702 847940893 /nfs/dbraw/zinc/94/08/93/847940893.db2.gz DGKHFBXCNYLHNF-UHFFFAOYSA-N 0 3 399.216 3.543 20 5 GHBDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612485983 848633351 /nfs/dbraw/zinc/63/33/51/848633351.db2.gz OMZOHGAITDMFJO-SJORKVTESA-N 0 3 399.466 3.960 20 5 GHBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000481660671 861946719 /nfs/dbraw/zinc/94/67/19/861946719.db2.gz SHKFFVGDLITKFM-UHFFFAOYSA-N 0 3 396.491 3.994 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000122443067 848945198 /nfs/dbraw/zinc/94/51/98/848945198.db2.gz RHMRQXCMUNQUNH-UHFFFAOYSA-N 0 3 381.432 3.526 20 5 GHBDHN CCOc1ccc([C@H](C)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000504928109 850465768 /nfs/dbraw/zinc/46/57/68/850465768.db2.gz ZHNJXRINMWNMBV-PXNSSMCTSA-N 0 3 399.491 3.545 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519179855 850707606 /nfs/dbraw/zinc/70/76/06/850707606.db2.gz AHRQJAKRLIPHNY-OAHLLOKOSA-N 0 3 389.839 3.863 20 5 GHBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436132387 851241338 /nfs/dbraw/zinc/24/13/38/851241338.db2.gz ASLCXTFYLRKHRF-LSDHHAIUSA-N 0 3 395.478 3.671 20 5 GHBDHN COc1ccc(Cl)cc1C(C)(C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000425513624 851468151 /nfs/dbraw/zinc/46/81/51/851468151.db2.gz PEVUCCRHNLHDMN-CQSZACIVSA-N 0 3 394.855 3.521 20 5 GHBDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000436723496 852250930 /nfs/dbraw/zinc/25/09/30/852250930.db2.gz NUZVYOUMABBEQI-SFHVURJKSA-N 0 3 394.475 3.692 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000481833097 862360569 /nfs/dbraw/zinc/36/05/69/862360569.db2.gz ARAFUUHVAQKJRP-SFHVURJKSA-N 0 3 390.867 3.868 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000913039103 853000724 /nfs/dbraw/zinc/00/07/24/853000724.db2.gz CWLQADHWDSUCQY-GOSISDBHSA-N 0 3 393.443 3.605 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000518370211 853266667 /nfs/dbraw/zinc/26/66/67/853266667.db2.gz ONBOICFUETWGNK-KGYLQXTDSA-N 0 3 389.374 3.641 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000518403011 853291049 /nfs/dbraw/zinc/29/10/49/853291049.db2.gz ZDFITTIDRHQEMD-TXPKVOOTSA-N 0 3 382.464 3.791 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441373562 854156823 /nfs/dbraw/zinc/15/68/23/854156823.db2.gz BRRWDUWPTRAHRH-KBPBESRZSA-N 0 3 387.402 3.779 20 5 GHBDHN C[C@@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000543538610 862580103 /nfs/dbraw/zinc/58/01/03/862580103.db2.gz KNECMAAIABRHJE-OAHLLOKOSA-N 0 3 399.466 3.791 20 5 GHBDHN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)CN1Cc1ccccc1 ZINC000553449810 855024388 /nfs/dbraw/zinc/02/43/88/855024388.db2.gz ZVYVFYATFZHRDY-KGLIPLIRSA-N 0 3 383.477 3.699 20 5 GHBDHN CN1C[C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447657 855424591 /nfs/dbraw/zinc/42/45/91/855424591.db2.gz ZKXMXNNQRFLLAA-RHSMWYFYSA-N 0 3 383.473 3.522 20 5 GHBDHN CC(C)[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCCC1 ZINC000427598653 855700330 /nfs/dbraw/zinc/70/03/30/855700330.db2.gz HDKZMFFJNDVZTP-MRXNPFEDSA-N 0 3 387.402 3.740 20 5 GHBDHN COc1cc(CNCCc2cscn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000172474224 856450833 /nfs/dbraw/zinc/45/08/33/856450833.db2.gz KHYHVOYWZRVIGL-UHFFFAOYSA-N 0 3 399.472 3.971 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000172553664 856476326 /nfs/dbraw/zinc/47/63/26/856476326.db2.gz RIMIBHNDPLIKEQ-MRXNPFEDSA-N 0 3 398.463 3.732 20 5 GHBDHN CN(C)c1cccc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592131029 856671394 /nfs/dbraw/zinc/67/13/94/856671394.db2.gz QMDGRXNRSTTZPE-XUTJKUGGSA-N 0 3 383.492 3.967 20 5 GHBDHN COc1ccc(NC(=O)CCNC2(c3ccccc3F)CCC2)c([N+](=O)[O-])c1 ZINC000592144532 856696191 /nfs/dbraw/zinc/69/61/91/856696191.db2.gz LOMZBWMCCZGRKP-UHFFFAOYSA-N 0 3 387.411 3.740 20 5 GHBDHN COc1cc(CN2CC3(C[C@@H]2C)CCOCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000592181494 856762686 /nfs/dbraw/zinc/76/26/86/856762686.db2.gz FRALAJBYMHKTAJ-LBPRGKRZSA-N 0 3 386.395 3.596 20 5 GHBDHN COc1cc(CNCC[C@H]2CSc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000592373309 856787140 /nfs/dbraw/zinc/78/71/40/856787140.db2.gz YWGXFFBXBPLKLU-AWEZNQCLSA-N 0 3 390.461 3.645 20 5 GHBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000173330395 856858479 /nfs/dbraw/zinc/85/84/79/856858479.db2.gz HGUJITFBBKXKTE-CABCVRRESA-N 0 3 383.448 3.664 20 5 GHBDHN COc1c(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000592694612 857029507 /nfs/dbraw/zinc/02/95/07/857029507.db2.gz JEQWWBJBCHGWHN-SFHVURJKSA-N 0 3 397.475 3.729 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000173867824 857170219 /nfs/dbraw/zinc/17/02/19/857170219.db2.gz UCQLWQLOBACJKW-KRWDZBQOSA-N 0 3 395.381 3.955 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000843779692 857327238 /nfs/dbraw/zinc/32/72/38/857327238.db2.gz SHYBERHCKFEIKH-LJQANCHMSA-N 0 3 385.439 3.918 20 5 GHBDHN CN(C)C[C@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113325753 857428889 /nfs/dbraw/zinc/42/88/89/857428889.db2.gz UFNIUXRGKHTLGU-SFHVURJKSA-N 0 3 396.516 3.981 20 5 GHBDHN CSc1cccc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000486227170 857567759 /nfs/dbraw/zinc/56/77/59/857567759.db2.gz BRHJUZQAIMEQHQ-ZBFHGGJFSA-N 0 3 385.489 3.882 20 5 GHBDHN COc1ccc(CNCCc2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] ZINC000114773035 858209763 /nfs/dbraw/zinc/20/97/63/858209763.db2.gz SOAODENZHLDBLG-UHFFFAOYSA-N 0 3 388.811 3.639 20 5 GHBDHN COc1cc(CN[C@@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000521832638 858349926 /nfs/dbraw/zinc/34/99/26/858349926.db2.gz HYSCDQMLZYJEPX-WCQYABFASA-N 0 3 392.374 3.592 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000595013309 858350169 /nfs/dbraw/zinc/35/01/69/858350169.db2.gz HCVYRZLYGLBGGQ-CHWSQXEVSA-N 0 3 376.844 3.581 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593147429 858787473 /nfs/dbraw/zinc/78/74/73/858787473.db2.gz MOFNVGBUOUSJPY-RYUDHWBXSA-N 0 3 376.331 3.680 20 5 GHBDHN CC(C)c1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000615203248 858839775 /nfs/dbraw/zinc/83/97/75/858839775.db2.gz QEFNPYCUPSARBS-INIZCTEOSA-N 0 3 383.448 3.688 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2cccs2)C2CCCC2)cc1 ZINC000543599372 858920416 /nfs/dbraw/zinc/92/04/16/858920416.db2.gz VOSOKKVWIWQUGV-SFHVURJKSA-N 0 3 394.518 3.951 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000597092208 859279397 /nfs/dbraw/zinc/27/93/97/859279397.db2.gz JJVFHHVTHYFILX-ZWNOBZJWSA-N 0 3 395.847 3.674 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccccc1)N1CCCC1 ZINC000117746713 859604257 /nfs/dbraw/zinc/60/42/57/859604257.db2.gz LZFIGYBRMMEMHY-LJQANCHMSA-N 0 3 387.867 3.744 20 5 GHBDHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611266777 859673747 /nfs/dbraw/zinc/67/37/47/859673747.db2.gz MGUKSCGEUSPLLU-JTSKRJEESA-N 0 3 398.459 3.966 20 5 GHBDHN C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1 ZINC000764980898 859724379 /nfs/dbraw/zinc/72/43/79/859724379.db2.gz UBDVIMACIJEIDD-QGZVFWFLSA-N 0 3 386.782 3.847 20 5 GHBDHN C[C@H](NC[C@H](O)COc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383164 859729717 /nfs/dbraw/zinc/72/97/17/859729717.db2.gz BMZJKQONGGLJQQ-FZMZJTMJSA-N 0 3 385.247 3.992 20 5 GHBDHN Cc1c(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cccc1[N+](=O)[O-] ZINC000765030085 859738699 /nfs/dbraw/zinc/73/86/99/859738699.db2.gz SIDMNHWXOGIPHX-HXUWFJFHSA-N 0 3 375.469 3.736 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000466529869 859880214 /nfs/dbraw/zinc/88/02/14/859880214.db2.gz PEHXGBPJHSUTRX-QFBILLFUSA-N 0 3 396.491 3.792 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCc4cc(F)c(F)c(F)c43)CC2)cn1 ZINC000602682381 860215214 /nfs/dbraw/zinc/21/52/14/860215214.db2.gz DIEJWDAUCILBPO-OAHLLOKOSA-N 0 3 392.381 3.653 20 5 GHBDHN Cc1cccc(O[C@H]2CCCC[C@H]2NCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000484647747 860219236 /nfs/dbraw/zinc/21/92/36/860219236.db2.gz QDJYWDRBFOYXTK-QUCCMNQESA-N 0 3 383.448 3.822 20 5 GHBDHN COc1cc(CNCC2([NH+]3CCCCC3)CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000237369455 860434084 /nfs/dbraw/zinc/43/40/84/860434084.db2.gz IGBGKNWWGMCAJE-UHFFFAOYSA-N 0 3 377.485 3.587 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124676993 860466795 /nfs/dbraw/zinc/46/67/95/860466795.db2.gz COHVAPCCQVKMMN-QGZVFWFLSA-N 0 3 399.495 3.561 20 5 GHBDHN COc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000053249794 860582132 /nfs/dbraw/zinc/58/21/32/860582132.db2.gz LAEPMORKRRPHRX-HXUWFJFHSA-N 0 3 398.463 3.870 20 5 GHBDHN CCN(CC)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])c1ccsc1 ZINC000603628494 860930411 /nfs/dbraw/zinc/93/04/11/860930411.db2.gz TUZJJJXCGUQADS-QGZVFWFLSA-N 0 3 387.465 3.800 20 5 GHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCOc1cccc([N+](=O)[O-])c1 ZINC000185646441 861117412 /nfs/dbraw/zinc/11/74/12/861117412.db2.gz ADADGZHNABMWTH-LLVKDONJSA-N 0 3 386.374 3.700 20 5 GHBDHN CC[C@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594039680 863869178 /nfs/dbraw/zinc/86/91/78/863869178.db2.gz BSOROXUVQNHEFF-ZFWWWQNUSA-N 0 3 388.411 3.685 20 5 GHBDHN Cc1c(CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000480077396 863975989 /nfs/dbraw/zinc/97/59/89/863975989.db2.gz ZTUIOZWZLWBWLK-KRWDZBQOSA-N 0 3 396.491 3.709 20 5 GHBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000475109420 864188252 /nfs/dbraw/zinc/18/82/52/864188252.db2.gz QUXGOJZCFSWFIJ-SJLPKXTDSA-N 0 3 397.475 3.901 20 5 GHBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1ncnn1-c1ccccc1 ZINC000475264463 864659084 /nfs/dbraw/zinc/65/90/84/864659084.db2.gz FWEXOEQLYUTQQT-LPHOPBHVSA-N 0 3 377.448 3.677 20 5 GHBDHN COC[C@@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000494496292 881794672 /nfs/dbraw/zinc/79/46/72/881794672.db2.gz UGFCRGGAEZCALT-SCLBCKFNSA-N 0 3 391.855 3.943 20 5 GHBDHN COC[C@@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000494496291 881794872 /nfs/dbraw/zinc/79/48/72/881794872.db2.gz UGFCRGGAEZCALT-FZKQIMNGSA-N 0 3 391.855 3.943 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000487471997 865254091 /nfs/dbraw/zinc/25/40/91/865254091.db2.gz JXNNKFHRORTIHN-UHFFFAOYSA-N 0 3 381.432 3.853 20 5 GHBDHN CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000608877181 865783993 /nfs/dbraw/zinc/78/39/93/865783993.db2.gz QQICTGTYUGGODJ-AEFFLSMTSA-N 0 3 382.464 3.596 20 5 GHBDHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475561445 866300845 /nfs/dbraw/zinc/30/08/45/866300845.db2.gz QMRCDYHHMWWFIW-OAQYLSRUSA-N 0 3 396.491 3.520 20 5 GHBDHN CCOc1ccc([C@H](C)NCc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000152639420 882050173 /nfs/dbraw/zinc/05/01/73/882050173.db2.gz SMBDAOZVLYQSBA-KRWDZBQOSA-N 0 3 399.491 3.677 20 5 GHBDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000183680575 867199568 /nfs/dbraw/zinc/19/95/68/867199568.db2.gz VMEZCGSGYQGMND-OAHLLOKOSA-N 0 3 393.447 3.687 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000429789833 867335707 /nfs/dbraw/zinc/33/57/07/867335707.db2.gz QXTAJHLFPXOOOH-ZTFGCOKTSA-N 0 3 375.469 3.639 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534983387 867897370 /nfs/dbraw/zinc/89/73/70/867897370.db2.gz YIXBSBDZYACJDQ-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479506811 867907597 /nfs/dbraw/zinc/90/75/97/867907597.db2.gz WHYSKDPOSBEMSU-CYBMUJFWSA-N 0 3 394.518 3.941 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000535204587 868345272 /nfs/dbraw/zinc/34/52/72/868345272.db2.gz CTTJPSOHZCZQIK-GOSISDBHSA-N 0 3 380.448 3.926 20 5 GHBDHN CN(CCN1CCCC1)C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442729835 868538402 /nfs/dbraw/zinc/53/84/02/868538402.db2.gz BUXZQVVWNZLJSF-UHFFFAOYSA-N 0 3 385.489 3.914 20 5 GHBDHN COc1ccc(OCCN2CCCC[C@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000744393977 868787757 /nfs/dbraw/zinc/78/77/57/868787757.db2.gz WHCQMAYYMPLAJS-GHTZIAJQSA-N 0 3 386.448 3.570 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccn(Cc4ccccc4)n3)CC2)cc1 ZINC000793567994 882277464 /nfs/dbraw/zinc/27/74/64/882277464.db2.gz MYEOKRQBMHSHNV-UHFFFAOYSA-N 0 3 391.475 3.598 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000462616301 869763425 /nfs/dbraw/zinc/76/34/25/869763425.db2.gz PAKHQSVAKWPZSD-KRWDZBQOSA-N 0 3 389.521 3.815 20 5 GHBDHN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000441073507 870172237 /nfs/dbraw/zinc/17/22/37/870172237.db2.gz SGHAGORZAYEYNH-HTAPYJJXSA-N 0 3 376.460 3.870 20 5 GHBDHN CC(C)[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000491284993 870262763 /nfs/dbraw/zinc/26/27/63/870262763.db2.gz RKUIVYPCYWECMV-FGZHOGPDSA-N 0 3 383.492 3.631 20 5 GHBDHN CCN1CC[C@@H](N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000462871861 870263513 /nfs/dbraw/zinc/26/35/13/870263513.db2.gz INVSMBQABPJSJC-QFBILLFUSA-N 0 3 381.476 3.992 20 5 GHBDHN COc1ccc(CN2CC[C@H](O)C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462878188 870278886 /nfs/dbraw/zinc/27/88/86/870278886.db2.gz SQHCYCFQUHZFSX-FQEVSTJZSA-N 0 3 386.448 3.528 20 5 GHBDHN CC(C)N1CCN(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)CC1 ZINC000920928013 882445287 /nfs/dbraw/zinc/44/52/87/882445287.db2.gz NSLJZBKJLXRDSM-UHFFFAOYSA-N 0 3 386.427 3.517 20 5 GHBDHN COc1ccc(OCCN(Cc2cccs2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441185906 870980698 /nfs/dbraw/zinc/98/06/98/870980698.db2.gz BPZVXYINZSGKRK-INIZCTEOSA-N 0 3 392.477 3.725 20 5 GHBDHN CCc1nn(C)c(OC)c1CN[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000539040740 871157205 /nfs/dbraw/zinc/15/72/05/871157205.db2.gz YGZUNBKVKNEAAI-CYBMUJFWSA-N 0 3 378.498 3.560 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCNC(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000525695809 871221132 /nfs/dbraw/zinc/22/11/32/871221132.db2.gz ACGVGHUBVZJFLB-UHFFFAOYSA-N 0 3 384.480 3.615 20 5 GHBDHN CC(C)[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)C1(CO)CC=CC1 ZINC001195439198 872388456 /nfs/dbraw/zinc/38/84/56/872388456.db2.gz JKITVZRLYMAMSK-MRXNPFEDSA-N 0 3 383.286 3.800 20 5 GHBDHN Cc1c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)sc2nc(C)nc(C)c12 ZINC000769463212 874088209 /nfs/dbraw/zinc/08/82/09/874088209.db2.gz OMIHNVFNOXHDRT-AWEZNQCLSA-N 0 3 398.492 3.606 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000769512931 874119595 /nfs/dbraw/zinc/11/95/95/874119595.db2.gz WGYBEECRRAOBCJ-GOSISDBHSA-N 0 3 391.418 3.759 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CNCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000549936616 875986487 /nfs/dbraw/zinc/98/64/87/875986487.db2.gz GRWVVWRVSKNSKW-UHFFFAOYSA-N 0 3 382.869 3.510 20 5 GHBDHN CCOc1cc(CN2CC[C@H](CN(CC)CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000492488979 876959274 /nfs/dbraw/zinc/95/92/74/876959274.db2.gz WBTJMJVKZBZEKE-OAHLLOKOSA-N 0 3 389.418 3.700 20 5 GHBDHN CS[C@H](CO)[C@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610090200 877386052 /nfs/dbraw/zinc/38/60/52/877386052.db2.gz UVRQFQPPGFDDOF-IFXJQAMLSA-N 0 3 375.494 3.565 20 5 GHBDHN CCOC(=O)[C@@](C)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000787436768 877401536 /nfs/dbraw/zinc/40/15/36/877401536.db2.gz IKLUNQPBSXYOBX-IBGZPJMESA-N 0 3 376.840 3.859 20 5 GHBDHN CCNc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000610122076 877435310 /nfs/dbraw/zinc/43/53/10/877435310.db2.gz PZYQDRZUTVHTBH-KRWDZBQOSA-N 0 3 396.491 3.763 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(F)ccc1OC(F)F ZINC001183084667 912239415 /nfs/dbraw/zinc/23/94/15/912239415.db2.gz QDFCEXOJZKZGTH-NSHDSACASA-N 0 3 397.353 3.842 20 5 GHBDHN O=C([C@H](Cc1ccccc1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCC1 ZINC000192789998 877954492 /nfs/dbraw/zinc/95/44/92/877954492.db2.gz YBLMHJKMLYDPIB-YADHBBJMSA-N 0 3 393.487 3.796 20 5 GHBDHN COC(=O)/C=C/c1ccc(Nc2cccc3c2OCC[C@@H]3N(C)C)c([N+](=O)[O-])c1 ZINC000788578832 878181394 /nfs/dbraw/zinc/18/13/94/878181394.db2.gz XCBGFXUIOHTUKZ-LNENJAERSA-N 0 3 397.431 3.910 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000776581678 878201240 /nfs/dbraw/zinc/20/12/40/878201240.db2.gz HCDTZHAYDUQQDN-SFHVURJKSA-N 0 3 399.274 3.820 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c2ccncc21 ZINC000054370289 878530978 /nfs/dbraw/zinc/53/09/78/878530978.db2.gz PHZNBDRYDNAWBY-UHFFFAOYSA-N 0 3 380.423 3.994 20 5 GHBDHN COc1ccc(-n2ccc(CN[C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)n2)cc1 ZINC000537971605 878644560 /nfs/dbraw/zinc/64/45/60/878644560.db2.gz YHKDTNUDSSDHKO-OAQYLSRUSA-N 0 3 392.459 3.900 20 5 GHBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000068778464 879016233 /nfs/dbraw/zinc/01/62/33/879016233.db2.gz IFMLBHFMDAHYDZ-UHFFFAOYSA-N 0 3 383.448 3.943 20 5 GHBDHN CCc1nc2ccccc2n1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180964841 879572649 /nfs/dbraw/zinc/57/26/49/879572649.db2.gz QVDYDEXSDWBINF-NRFANRHFSA-N 0 3 394.475 3.877 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000494049523 879856260 /nfs/dbraw/zinc/85/62/60/879856260.db2.gz NQHYVGBSBZNDPL-LIRRHRJNSA-N 0 3 387.867 3.570 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494068252 879890378 /nfs/dbraw/zinc/89/03/78/879890378.db2.gz GAKIFHPOTNRHRS-IEBWSBKVSA-N 0 3 381.476 3.913 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN([C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000453291682 880733167 /nfs/dbraw/zinc/73/31/67/880733167.db2.gz VFAZTCKOFGAGAP-HXUWFJFHSA-N 0 3 398.463 3.683 20 5 GHBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000609530798 883320908 /nfs/dbraw/zinc/32/09/08/883320908.db2.gz GDNRTOJKWRSGBG-IBGZPJMESA-N 0 3 396.491 3.811 20 5 GHBDHN O=C(CN1CCC[C@@H]1CCCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001168157098 883372271 /nfs/dbraw/zinc/37/22/71/883372271.db2.gz WKJZVLSOGRAYQL-FQEVSTJZSA-N 0 3 393.487 3.971 20 5 GHBDHN C[C@H](c1ccncc1)N1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000542507031 883840038 /nfs/dbraw/zinc/84/00/38/883840038.db2.gz GGHPQLADHSREIG-CQSZACIVSA-N 0 3 378.436 3.571 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccccc1Cl ZINC000026227436 884193401 /nfs/dbraw/zinc/19/34/01/884193401.db2.gz WPASXSRDECNEIL-LBPRGKRZSA-N 0 3 377.828 3.936 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805913470 884194969 /nfs/dbraw/zinc/19/49/69/884194969.db2.gz FNKGZILFLINYJS-UHFFFAOYSA-N 0 3 398.459 3.737 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000520855026 884826793 /nfs/dbraw/zinc/82/67/93/884826793.db2.gz QIDSNRMYQVLPOR-BEFAXECRSA-N 0 3 387.505 3.803 20 5 GHBDHN CCOc1cc(N2CCN(C[C@@H]3CCOc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000619432778 885051088 /nfs/dbraw/zinc/05/10/88/885051088.db2.gz TUHWHCZUWNUCCN-KRWDZBQOSA-N 0 3 397.475 3.682 20 5 GHBDHN O=C(Nc1nccc2ccc([N+](=O)[O-])cc21)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001130956801 885450071 /nfs/dbraw/zinc/45/00/71/885450071.db2.gz HRNJHUQHVHCPKB-JSGCOSHPSA-N 0 3 383.326 3.829 20 5 GHBDHN CN1CC[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccccc1 ZINC000550684944 885893537 /nfs/dbraw/zinc/89/35/37/885893537.db2.gz TZXVMWZKWPDQGX-UXHICEINSA-N 0 3 378.432 3.785 20 5 GHBDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747468433 886157726 /nfs/dbraw/zinc/15/77/26/886157726.db2.gz RJIVGEXSJDGVCC-AEFFLSMTSA-N 0 3 377.448 3.764 20 5 GHBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000287182237 913166994 /nfs/dbraw/zinc/16/69/94/913166994.db2.gz ORKPOLLVUULISM-VFNWGFHPSA-N 0 3 375.472 3.792 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000454258331 887750400 /nfs/dbraw/zinc/75/04/00/887750400.db2.gz MCBQOHDDXNCAMA-KRWDZBQOSA-N 0 3 392.456 3.880 20 5 GHBDHN O=C(NCCCN1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911290 887931314 /nfs/dbraw/zinc/93/13/14/887931314.db2.gz KWQMPCIBAXGLBE-UHFFFAOYSA-N 0 3 388.855 3.818 20 5 GHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000888288472 889215213 /nfs/dbraw/zinc/21/52/13/889215213.db2.gz NNGCXYGZMCLFCY-UHFFFAOYSA-N 0 3 391.859 3.547 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000868817138 889613103 /nfs/dbraw/zinc/61/31/03/889613103.db2.gz SFQXXFAAANEWEN-UHFFFAOYSA-N 0 3 377.828 3.879 20 5 GHBDHN COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CCCN(Cc4ccccc4)C3)c2c1 ZINC001184803568 913414957 /nfs/dbraw/zinc/41/49/57/913414957.db2.gz WXGLHEZLDBSNEH-QGZVFWFLSA-N 0 3 392.459 3.650 20 5 GHBDHN O=C(CNC1(c2ccc(F)cc2)CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533510916 890724470 /nfs/dbraw/zinc/72/44/70/890724470.db2.gz OIYQIXBLRRGPSK-UHFFFAOYSA-N 0 3 383.423 3.682 20 5 GHBDHN CC(COC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)[N+](=O)[O-] ZINC000813100234 891272646 /nfs/dbraw/zinc/27/26/46/891272646.db2.gz PJFCSPFGNHSAPP-WBMJQRKESA-N 0 3 394.221 3.778 20 5 GHBDHN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813102905 891273189 /nfs/dbraw/zinc/27/31/89/891273189.db2.gz LJCXRWNSTVQQPL-SNVBAGLBSA-N 0 3 393.852 3.930 20 5 GHBDHN CC(COC(=O)c1cccc(NC(=O)CCCc2cccs2)c1)[N+](=O)[O-] ZINC000813103454 891274435 /nfs/dbraw/zinc/27/44/35/891274435.db2.gz AZPNMSJWLSECSG-CYBMUJFWSA-N 0 3 376.434 3.532 20 5 GHBDHN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102677 891274994 /nfs/dbraw/zinc/27/49/94/891274994.db2.gz IQOKEEZJVZENIW-VIFPVBQESA-N 0 3 386.235 3.547 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000717072226 892710932 /nfs/dbraw/zinc/71/09/32/892710932.db2.gz ZVFAVQBYTZGVEG-AWEZNQCLSA-N 0 3 385.411 3.577 20 5 GHBDHN CC[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000542611381 893428136 /nfs/dbraw/zinc/42/81/36/893428136.db2.gz FGGRMBWTUJCBCC-MAUKXSAKSA-N 0 3 399.466 3.791 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cccc(Oc4ccc(F)cc4)n3)C2)c1 ZINC000877610176 893715934 /nfs/dbraw/zinc/71/59/34/893715934.db2.gz GWNLBDDDGBJKEK-UHFFFAOYSA-N 0 3 383.383 3.611 20 5 GHBDHN COc1cccc2c1C[C@@H](NCc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000459701932 894095437 /nfs/dbraw/zinc/09/54/37/894095437.db2.gz NSGFNVUEKGCSOS-HNNXBMFYSA-N 0 3 381.457 3.984 20 5 GHBDHN Cc1c([C@@H](C)NCCOc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000537159492 894442964 /nfs/dbraw/zinc/44/29/64/894442964.db2.gz WGAAGDUQYGLSCR-CQSZACIVSA-N 0 3 384.411 3.958 20 5 GHBDHN Cc1c([C@H](C)NCCOc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000537159491 894443153 /nfs/dbraw/zinc/44/31/53/894443153.db2.gz WGAAGDUQYGLSCR-AWEZNQCLSA-N 0 3 384.411 3.958 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCC[C@@H]2[C@H]2CCCOC2)o1 ZINC000878756700 894582892 /nfs/dbraw/zinc/58/28/92/894582892.db2.gz YKJAPCVXLCFRTJ-SWLSCSKDSA-N 0 3 392.843 3.689 20 5 GHBDHN COc1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1OC1CCCC1 ZINC000819068866 896383976 /nfs/dbraw/zinc/38/39/76/896383976.db2.gz MGJDFPMHNCYZOH-LJQANCHMSA-N 0 3 386.448 3.748 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001136651729 898767246 /nfs/dbraw/zinc/76/72/46/898767246.db2.gz SSTUUPIZRVTSFL-UHFFFAOYSA-N 0 3 375.856 3.559 20 5 GHBDHN CC(C)N1CC[C@@H](NCc2cccnc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000886192254 900875894 /nfs/dbraw/zinc/87/58/94/900875894.db2.gz NHPHHKYZJIZBIQ-MSOLQXFVSA-N 0 3 376.407 3.582 20 5 GHBDHN Cn1cnnc1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000091795120 901456749 /nfs/dbraw/zinc/45/67/49/901456749.db2.gz ISFXDQSFEBOKGR-UHFFFAOYSA-N 0 3 383.477 3.831 20 5 GHBDHN CNC(=O)CC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000093587653 901555485 /nfs/dbraw/zinc/55/54/85/901555485.db2.gz OUALEXTZJMBAAN-UHFFFAOYSA-N 0 3 391.855 3.856 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000576773858 902251519 /nfs/dbraw/zinc/25/15/19/902251519.db2.gz RHXNCFRBDTXFSY-SJLPKXTDSA-N 0 3 381.476 3.652 20 5 GHBDHN COc1ccc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1F ZINC000845874602 902476660 /nfs/dbraw/zinc/47/66/60/902476660.db2.gz IUZQIGOQZUAWIL-BUXKBTBVSA-N 0 3 379.359 3.856 20 5 GHBDHN CC(C)C(=O)Nc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874433 902476690 /nfs/dbraw/zinc/47/66/90/902476690.db2.gz IIYCTAALMWPTAN-ACJLOTCBSA-N 0 3 388.395 3.984 20 5 GHBDHN CC([C@H](OC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874282 902477815 /nfs/dbraw/zinc/47/78/15/902477815.db2.gz GXSGJJAUCRDYQM-LPMFXHHGSA-N 0 3 387.411 3.630 20 5 GHBDHN Cc1nn(C)c2sc(C(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])cc12 ZINC000845873903 902478300 /nfs/dbraw/zinc/47/83/00/902478300.db2.gz XQAKJUWRWSIEAM-ZUZCIYMTSA-N 0 3 377.397 3.646 20 5 GHBDHN COc1ccc(C(=O)CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874984 902479665 /nfs/dbraw/zinc/47/96/65/902479665.db2.gz JLLIDKSOVXWCJY-RNODOKPDSA-N 0 3 389.379 3.747 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3csc(-c4ccccn4)n3)c2c1 ZINC000577654054 903005966 /nfs/dbraw/zinc/00/59/66/903005966.db2.gz FSIQJELNWGVKIG-UHFFFAOYSA-N 0 3 379.445 3.927 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)co2)cc1 ZINC000152306704 904255901 /nfs/dbraw/zinc/25/59/01/904255901.db2.gz PDPLOXAQNHPTDQ-OAHLLOKOSA-N 0 3 394.435 3.625 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)co2)cc1 ZINC000152306704 904255920 /nfs/dbraw/zinc/25/59/20/904255920.db2.gz PDPLOXAQNHPTDQ-OAHLLOKOSA-N 0 3 394.435 3.625 20 5 GHBDHN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCN(Cc2ccccc2)CC1 ZINC000889489425 904601212 /nfs/dbraw/zinc/60/12/12/904601212.db2.gz JKDSJULTUXJSCP-UHFFFAOYSA-N 0 3 396.491 3.694 20 5 GHBDHN Cn1cc(CN2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])n1 ZINC001171841346 905091311 /nfs/dbraw/zinc/09/13/11/905091311.db2.gz NKVUJNWIEDKMQE-QGZVFWFLSA-N 0 3 398.385 3.824 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(c3cc(Cl)ccn3)CC1)CC2 ZINC001172915521 905986717 /nfs/dbraw/zinc/98/67/17/905986717.db2.gz NVAJLJQMNDWTSN-SFHVURJKSA-N 0 3 386.883 3.713 20 5 GHBDHN CCOC(=O)CCC1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173188974 906269773 /nfs/dbraw/zinc/26/97/73/906269773.db2.gz IQQQRCSMWAGIDO-CQSZACIVSA-N 0 3 396.459 3.729 20 5 GHBDHN Cc1cccc(C[C@]2(C)CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001175034651 907347009 /nfs/dbraw/zinc/34/70/09/907347009.db2.gz AVIFFKQMSWQDDV-QFIPXVFZSA-N 0 3 381.476 3.963 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000183307729 907365254 /nfs/dbraw/zinc/36/52/54/907365254.db2.gz BSUNEXVZAQYKDB-UHFFFAOYSA-N 0 3 387.505 3.536 20 5 GHBDHN CC(C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCC1 ZINC000193210316 908179793 /nfs/dbraw/zinc/17/97/93/908179793.db2.gz XZCULCHNGNNYKA-UHFFFAOYSA-N 0 3 384.274 3.806 20 5 GHBDHN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192746573 908820063 /nfs/dbraw/zinc/82/00/63/908820063.db2.gz MHVSKDCBSGOUFE-BXWFABGCSA-N 0 3 383.448 3.679 20 5 GHBDHN CC(C)(NC[C@@H](O)c1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000795237021 909409413 /nfs/dbraw/zinc/40/94/13/909409413.db2.gz QMJQEQPDDHAJTE-MRXNPFEDSA-N 0 3 379.254 3.916 20 5 GHBDHN C[C@]1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCO[C@H]1C1CC1 ZINC001180593916 910260749 /nfs/dbraw/zinc/26/07/49/910260749.db2.gz PZFMIKDCLNJXKR-GXTWGEPZSA-N 0 3 375.288 3.714 20 5 GHBDHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119798719 919656028 /nfs/dbraw/zinc/65/60/28/919656028.db2.gz BDTOQQUPDFTXDZ-GOSISDBHSA-N 0 3 397.450 3.531 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000726182408 926580453 /nfs/dbraw/zinc/58/04/53/926580453.db2.gz DHPQADBISHOFSZ-VHSXEESVSA-N 0 3 379.766 3.542 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1OC ZINC000412031070 927027178 /nfs/dbraw/zinc/02/71/78/927027178.db2.gz AOGYLBJHOUQSDV-CUSZFKRNSA-N 0 3 392.496 3.621 20 5 GHBDHN COc1ccc(CN2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000413040591 928132530 /nfs/dbraw/zinc/13/25/30/928132530.db2.gz WELCDFWNWVLCIM-UHFFFAOYSA-N 0 3 392.459 3.864 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000544069878 928764017 /nfs/dbraw/zinc/76/40/17/928764017.db2.gz VEHQUOBAWYHNIE-QGZVFWFLSA-N 0 3 376.840 3.653 20 5 GHBDHN CCOc1cccc(N2CCCN(Cc3ccc(OC)cc3)CC2)c1[N+](=O)[O-] ZINC000544353621 929084964 /nfs/dbraw/zinc/08/49/64/929084964.db2.gz VIDGGQFHJVANLZ-UHFFFAOYSA-N 0 3 385.464 3.714 20 5 GHBDHN CSc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467696734 929311819 /nfs/dbraw/zinc/31/18/19/929311819.db2.gz JOUHELFJYBWHNQ-RHSMWYFYSA-N 0 3 385.489 3.710 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469451912 929905920 /nfs/dbraw/zinc/90/59/20/929905920.db2.gz HICFDDGTPULBNO-CQSZACIVSA-N 0 3 389.402 4.000 20 5 GHBDHN Cc1c(CC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000469482570 929928900 /nfs/dbraw/zinc/92/89/00/929928900.db2.gz VLHXSINAAAWSKJ-FQEVSTJZSA-N 0 3 383.492 3.719 20 5 GHBDHN CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000546183709 929936175 /nfs/dbraw/zinc/93/61/75/929936175.db2.gz AUYHWKBJOHSPRG-OAQYLSRUSA-N 0 3 381.476 3.650 20 5 GHBDHN Cc1cc(Br)cn2cc(CCNCc3csc([N+](=O)[O-])c3)nc12 ZINC000546267175 930005248 /nfs/dbraw/zinc/00/52/48/930005248.db2.gz HVLBVZMXFCUVSB-UHFFFAOYSA-N 0 3 395.282 3.707 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758336262 930013989 /nfs/dbraw/zinc/01/39/89/930013989.db2.gz TZQFRQJNDZHCRP-DNVCBOLYSA-N 0 3 384.411 3.882 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000546398694 930125679 /nfs/dbraw/zinc/12/56/79/930125679.db2.gz ROQXIMZZFAOWPQ-INIZCTEOSA-N 0 3 379.420 3.728 20 5 GHBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000557566030 931545240 /nfs/dbraw/zinc/54/52/40/931545240.db2.gz VLMHJAMMKAAKQK-HNNXBMFYSA-N 0 3 385.489 3.818 20 5 GHBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000557580060 931556430 /nfs/dbraw/zinc/55/64/30/931556430.db2.gz VCUXMDNFXHEARV-UHFFFAOYSA-N 0 3 398.301 3.614 20 5 GHBDHN CC[C@H](C)N[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000557693546 931615386 /nfs/dbraw/zinc/61/53/86/931615386.db2.gz KPJLXJRRQLIKMC-JQWIXIFHSA-N 0 3 383.246 3.887 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000557693548 931615470 /nfs/dbraw/zinc/61/54/70/931615470.db2.gz KPJLXJRRQLIKMC-PWSUYJOCSA-N 0 3 383.246 3.887 20 5 GHBDHN Cc1nn(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c2ccc([N+](=O)[O-])cc12 ZINC000799943194 933182051 /nfs/dbraw/zinc/18/20/51/933182051.db2.gz QQQZOWBEJVAQAW-INIZCTEOSA-N 0 3 394.479 3.623 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000777806467 933544762 /nfs/dbraw/zinc/54/47/62/933544762.db2.gz AKSLAUGXBHODKR-HKUYNNGSSA-N 0 3 399.495 3.674 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000561268453 934004544 /nfs/dbraw/zinc/00/45/44/934004544.db2.gz MAXPCBKDEKLZNA-UHFFFAOYSA-N 0 3 385.411 3.534 20 5 GHBDHN Cc1nc(CSCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC001122995676 935050386 /nfs/dbraw/zinc/05/03/86/935050386.db2.gz OAFQNEUTCBTLHA-HWPZZCPQSA-N 0 3 384.454 3.774 20 5 GHBDHN CC(C)(CCC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)[N+](=O)[O-] ZINC000828974970 935749095 /nfs/dbraw/zinc/74/90/95/935749095.db2.gz MAIIHSROLRHHDM-GOSISDBHSA-N 0 3 397.466 3.832 20 5 GHBDHN CCc1ccc(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545476761 1015918539 /nfs/dbraw/zinc/91/85/39/1015918539.db2.gz HNGWSIZOACLDBI-HXUWFJFHSA-N 0 3 381.476 3.894 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000557890992 1017069123 /nfs/dbraw/zinc/06/91/23/1017069123.db2.gz KQJDAGGLZWWXHF-UHFFFAOYSA-N 0 3 379.363 3.819 20 5 GHBDHN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1-n1nc(C(F)(F)F)c2c1CCNC2 ZINC001154854802 1032313380 /nfs/dbraw/zinc/31/33/80/1032313380.db2.gz OSLVUKGQHPKJGV-UHFFFAOYSA-N 0 3 397.744 3.647 20 5 GHBDHN COC(=O)c1ccc(O[C@H]2CN(Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001227296353 1032360089 /nfs/dbraw/zinc/36/00/89/1032360089.db2.gz WIHZGJCSXRWSMW-QRWLVFNGSA-N 0 3 384.432 3.671 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000558335101 1017171949 /nfs/dbraw/zinc/17/19/49/1017171949.db2.gz LDIDQMBTNIVXPW-NRFANRHFSA-N 0 3 396.491 3.616 20 5 GHBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)n1 ZINC001156332984 1032990095 /nfs/dbraw/zinc/99/00/95/1032990095.db2.gz SEEFRVDOOSGBSY-BBRMVZONSA-N 0 3 389.887 3.693 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000834903295 1021653874 /nfs/dbraw/zinc/65/38/74/1021653874.db2.gz HHKSZGHSEFQUJE-NVXWUHKLSA-N 0 3 393.484 3.580 20 5 GHBDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000755223021 1023138197 /nfs/dbraw/zinc/13/81/97/1023138197.db2.gz JJKCLNTUKAGRTP-ZDUSSCGKSA-N 0 3 375.425 3.858 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000755494077 1023271282 /nfs/dbraw/zinc/27/12/82/1023271282.db2.gz NLORVSZZDJOXLT-BGHSRAONSA-N 0 3 379.460 3.777 20 5 GHBDHN Cc1cc([C@@H](N)CC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000831063053 1024337183 /nfs/dbraw/zinc/33/71/83/1024337183.db2.gz RZGPKDMGFFNVLY-DOMZBBRYSA-N 0 3 376.844 3.527 20 5 GHBDHN CCN1C[C@@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156828539 1033263065 /nfs/dbraw/zinc/26/30/65/1033263065.db2.gz QVMJAFOCNSJNBM-HXUWFJFHSA-N 0 3 396.491 3.667 20 5 GHBDHN C[C@H](N)c1nc2ccccc2n1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001162767220 1025911576 /nfs/dbraw/zinc/91/15/76/1025911576.db2.gz USTDSNFKUSCMOZ-QMMMGPOBSA-N 0 3 379.189 3.855 20 5 GHBDHN C[C@H](N)c1nc2ccccc2n1-c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001162777322 1025915631 /nfs/dbraw/zinc/91/56/31/1025915631.db2.gz PYVIUGSKUTUDLC-LBPRGKRZSA-N 0 3 382.420 3.909 20 5 GHBDHN COC(=O)/C=C\c1ccc(N[C@@H]2CCN(Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831121 1026331844 /nfs/dbraw/zinc/33/18/44/1026331844.db2.gz KCCGMBCSJGEMOU-GXVATQTDSA-N 0 3 395.459 3.776 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@]3(OC(C)C)CCOC3)o2)c([N+](=O)[O-])c1 ZINC001203772842 1027593638 /nfs/dbraw/zinc/59/36/38/1027593638.db2.gz YAZPHAIJMFMDTK-FQEVSTJZSA-N 0 3 390.436 3.537 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NCc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000401079354 1029074897 /nfs/dbraw/zinc/07/48/97/1029074897.db2.gz MHVRAPBXRWVDJY-ZNMIVQPWSA-N 0 3 381.498 3.782 20 5 GHBDHN O=C(NCCc1cnc2cc[nH]cc1-2)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153426913 1031585699 /nfs/dbraw/zinc/58/56/99/1031585699.db2.gz LDCNJICADVDWBD-UHFFFAOYSA-N 0 3 383.407 3.795 20 5 GHBDHN O=C(NCCc1c[nH]c2ccncc12)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153426913 1031585710 /nfs/dbraw/zinc/58/57/10/1031585710.db2.gz LDCNJICADVDWBD-UHFFFAOYSA-N 0 3 383.407 3.795 20 5 GHBDHN O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1OC1CCN(Cc2ccccc2)CC1 ZINC001225888817 1031676774 /nfs/dbraw/zinc/67/67/74/1031676774.db2.gz GRXZVOZMIXAEGB-UHFFFAOYSA-N 0 3 375.356 3.686 20 5 GHBDHN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1[C@@H]2CCC[C@H]1CN(C)C2 ZINC001229235690 1033357775 /nfs/dbraw/zinc/35/77/75/1033357775.db2.gz YALPQVMGHMZNJX-DRXBFXEBSA-N 0 3 397.269 3.669 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001205504313 1033444003 /nfs/dbraw/zinc/44/40/03/1033444003.db2.gz ZDZQYTMYSDGSGR-AWEZNQCLSA-N 0 3 387.427 3.618 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001461872810 1069817455 /nfs/dbraw/zinc/81/74/55/1069817455.db2.gz UTXVFXZULWHLNA-KKSFZXQISA-N 0 3 387.480 3.816 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001461872808 1069818141 /nfs/dbraw/zinc/81/81/41/1069818141.db2.gz UTXVFXZULWHLNA-IIBYNOLFSA-N 0 3 387.480 3.816 20 5 GHBDHN CCOC(=O)c1ccc(OC(C(=O)c2ccco2)c2ccco2)cc1[N+](=O)[O-] ZINC001230912986 1034283754 /nfs/dbraw/zinc/28/37/54/1034283754.db2.gz OIHINSSAYIFCGD-GOSISDBHSA-N 0 3 385.328 3.961 20 5 GHBDHN O=[N+]([O-])c1cccc2cc(OC[C@H]3CN(Cc4ccccc4)CCCO3)cnc21 ZINC001231157046 1034432422 /nfs/dbraw/zinc/43/24/22/1034432422.db2.gz YDHPNDPVLCGYJH-HXUWFJFHSA-N 0 3 393.443 3.813 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC001160519843 1034993345 /nfs/dbraw/zinc/99/33/45/1034993345.db2.gz PFBUMYMAEIQHFQ-GOSISDBHSA-N 0 3 396.422 3.502 20 5 GHBDHN c1cnc2c(c1)ccc1ccc(CN3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)nc12 ZINC001232221913 1035170177 /nfs/dbraw/zinc/17/01/77/1035170177.db2.gz MIEKOOVDMWCEPO-XUZZJYLKSA-N 0 3 389.499 3.943 20 5 GHBDHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001462236358 1070108874 /nfs/dbraw/zinc/10/88/74/1070108874.db2.gz SLQIKDMCOIIVQJ-FDFHNCONSA-N 0 3 393.487 3.869 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cccnc3Br)CC2)cc1 ZINC001254469884 1040255353 /nfs/dbraw/zinc/25/53/53/1040255353.db2.gz IREWINLPAKTIGY-UHFFFAOYSA-N 0 3 391.269 3.511 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001254551501 1040319687 /nfs/dbraw/zinc/31/96/87/1040319687.db2.gz CHSRQDHIJACZRA-FOIQADDNSA-N 0 3 375.469 3.611 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001254557579 1040327736 /nfs/dbraw/zinc/32/77/36/1040327736.db2.gz QIIHAPVEUORSLX-UQASEVPWSA-N 0 3 397.450 3.511 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1COc3cc(Br)ccc31)C2 ZINC001254585192 1040359887 /nfs/dbraw/zinc/35/98/87/1040359887.db2.gz LJPKSXFQLYNSMX-CJNGLKHVSA-N 0 3 375.222 3.548 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC[C@]12CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594571 1040367500 /nfs/dbraw/zinc/36/75/00/1040367500.db2.gz RRQMRPAYBATTGS-GHTZIAJQSA-N 0 3 387.480 3.537 20 5 GHBDHN CN(C)CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CCCCC1 ZINC001292871005 1043923738 /nfs/dbraw/zinc/92/37/38/1043923738.db2.gz JZYNRMLRFXDMIQ-UHFFFAOYSA-N 0 3 384.480 3.667 20 5 GHBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001303273067 1047335418 /nfs/dbraw/zinc/33/54/18/1047335418.db2.gz PXECTPUSJDKMHZ-WOJBJXKFSA-N 0 3 394.475 3.516 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1C(F)(F)F ZINC001303508492 1047407665 /nfs/dbraw/zinc/40/76/65/1047407665.db2.gz OKUMJJMYEFRPKN-UHFFFAOYSA-N 0 3 399.344 3.996 20 5 GHBDHN CC[C@](C)(COc1ncccc1Cl)NCc1cc([N+](=O)[O-])ccc1OC ZINC001307591974 1049430428 /nfs/dbraw/zinc/43/04/28/1049430428.db2.gz IRLYAAHEZYHZDT-GOSISDBHSA-N 0 3 379.844 3.989 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001307929912 1049701916 /nfs/dbraw/zinc/70/19/16/1049701916.db2.gz BZXMLPVFBOYPLH-NRFANRHFSA-N 0 3 383.492 3.946 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccnc(-n3cncn3)c2)s1 ZINC001308488994 1049988472 /nfs/dbraw/zinc/98/84/72/1049988472.db2.gz KZGFQNFCMCMCIH-UHFFFAOYSA-N 0 3 392.444 3.589 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H](CO)CC2CCOCC2)c2ccccc2)c1 ZINC001320865216 1055992109 /nfs/dbraw/zinc/99/21/09/1055992109.db2.gz YPHFVGUVEWYNSZ-PGRDOPGGSA-N 0 3 384.476 3.699 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N(C)C)cc1C ZINC001472637120 1056589775 /nfs/dbraw/zinc/58/97/75/1056589775.db2.gz JELYOYFSXCVLON-INIZCTEOSA-N 0 3 377.466 3.856 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(Br)c1 ZINC001324384159 1057123339 /nfs/dbraw/zinc/12/33/39/1057123339.db2.gz SBEXLEMACXKASK-BMFZPTHFSA-N 0 3 381.270 3.795 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)CC1 ZINC001441359526 1058764430 /nfs/dbraw/zinc/76/44/30/1058764430.db2.gz GQPIBBANYVOKMX-UHFFFAOYSA-N 0 3 379.526 3.949 20 5 GHBDHN CNc1ccc(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001448122914 1060113431 /nfs/dbraw/zinc/11/34/31/1060113431.db2.gz NLNMACLTOWWYPL-LJQANCHMSA-N 0 3 384.480 3.523 20 5 GHBDHN COc1ccc([C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])N(C)C)cc1OC ZINC001458054018 1063530290 /nfs/dbraw/zinc/53/02/90/1063530290.db2.gz JBGSPZHMJCKFNA-INIZCTEOSA-N 0 3 379.844 3.980 20 5 GHBDHN CC[C@H](C)N[C@H](CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001458373388 1063770112 /nfs/dbraw/zinc/77/01/12/1063770112.db2.gz RMXLRQDVFPLPBV-SUMWQHHRSA-N 0 3 384.436 3.708 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001459825091 1064233996 /nfs/dbraw/zinc/23/39/96/1064233996.db2.gz FXWHDEYNCCICQW-KRWDZBQOSA-N 0 3 379.526 3.947 20 5 GHBDHN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CCCC2 ZINC001459915937 1064269976 /nfs/dbraw/zinc/26/99/76/1064269976.db2.gz XRYXVYPBGLISCD-OAHLLOKOSA-N 0 3 379.460 3.714 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)COc3ccc4cc[nH]c4c3)C2)cc1 ZINC001460134809 1068802944 /nfs/dbraw/zinc/80/29/44/1068802944.db2.gz YNOJBDDBUYONNL-QUCCMNQESA-N 0 3 395.459 3.695 20 5 GHBDHN CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001460430635 1068962189 /nfs/dbraw/zinc/96/21/89/1068962189.db2.gz JHRMGKGKTKCJIT-OAQYLSRUSA-N 0 3 398.463 3.845 20 5 GHBDHN Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001471081535 1072914836 /nfs/dbraw/zinc/91/48/36/1072914836.db2.gz SZGPLRPBUTVEGG-FQEVSTJZSA-N 0 3 396.491 3.757 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC001471687321 1073180054 /nfs/dbraw/zinc/18/00/54/1073180054.db2.gz RHBVSNRUQGKTKC-SJORKVTESA-N 0 3 377.510 3.796 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC001472667234 1073605891 /nfs/dbraw/zinc/60/58/91/1073605891.db2.gz QTYLHYMXIFFMBP-JHJVBQTASA-N 0 3 383.876 3.813 20 5 GHBDHN COC(=O)/C=C\c1ccc(N[C@@H]2CCN(Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859332 1073698049 /nfs/dbraw/zinc/69/80/49/1073698049.db2.gz FWEMLBTXYPXULH-IBHIWXBSSA-N 0 3 395.459 3.776 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN[C@H](c3ccc(O)cc3)C2)nc1-c1ccc(F)cc1 ZINC001472867414 1073703749 /nfs/dbraw/zinc/70/37/49/1073703749.db2.gz FVCBUQRUIQFZCT-SFHVURJKSA-N 0 3 394.406 3.652 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473463125 1073977417 /nfs/dbraw/zinc/97/74/17/1073977417.db2.gz QSYGVOLHLHKVJG-MRXNPFEDSA-N 0 3 399.274 3.816 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(Cc3nc4c(s3)CCC4)CC2)c1 ZINC001473854755 1074177490 /nfs/dbraw/zinc/17/74/90/1074177490.db2.gz VKBQDFCLOLUCTH-UHFFFAOYSA-N 0 3 387.505 3.874 20 5 GHBDHN COc1ccc([C@@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC001473885426 1074190501 /nfs/dbraw/zinc/19/05/01/1074190501.db2.gz JRJZNRNSCJJAGF-CQSZACIVSA-N 0 3 387.436 3.600 20 5 GHBDHN CN(c1ccccc1)c1ccc(CN[C@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC001474224064 1074299594 /nfs/dbraw/zinc/29/95/94/1074299594.db2.gz FUPCBKOLGWSVFR-FQEVSTJZSA-N 0 3 383.448 3.748 20 5 GHBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474397606 1074385955 /nfs/dbraw/zinc/38/59/55/1074385955.db2.gz VTPHCIKRNQQVBK-HZMBPMFUSA-N 0 3 391.287 3.630 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000583584132 834694121 /nfs/dbraw/zinc/69/41/21/834694121.db2.gz BGRUHUIVEVDSMK-OGHNNQOOSA-N 0 3 377.416 3.676 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000583901229 835219432 /nfs/dbraw/zinc/21/94/32/835219432.db2.gz SQJXAGLUEPHURW-NRFANRHFSA-N 0 3 395.459 3.526 20 5 GHBDHN CN1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[C@@H]1c1ccccc1 ZINC000179467248 835734102 /nfs/dbraw/zinc/73/41/02/835734102.db2.gz DJSHWPYPWKWRFF-FPOVZHCZSA-N 0 3 394.475 3.714 20 5 GHBDHN CN1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000179488196 835740516 /nfs/dbraw/zinc/74/05/16/835740516.db2.gz NGLKEKRGPDMGHJ-RTWAWAEBSA-N 0 3 394.475 3.714 20 5 GHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411316738 836125992 /nfs/dbraw/zinc/12/59/92/836125992.db2.gz MTTVIICKRQRFPT-PWRODBHTSA-N 0 3 379.460 3.652 20 5 GHBDHN Cc1ccc([C@@H](C)NCCC(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000411476360 836177164 /nfs/dbraw/zinc/17/71/64/836177164.db2.gz PUMINBQSONIDKE-CQSZACIVSA-N 0 3 375.856 3.914 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000065931749 836253156 /nfs/dbraw/zinc/25/31/56/836253156.db2.gz ZBFKQJBXVSSHDY-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CN(C)CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000175701406 837012717 /nfs/dbraw/zinc/01/27/17/837012717.db2.gz YRVHFELTXXSTDB-UHFFFAOYSA-N 0 3 392.253 3.566 20 5 GHBDHN C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccccc1[N+](=O)[O-] ZINC000180413527 837238016 /nfs/dbraw/zinc/23/80/16/837238016.db2.gz VAOCJHSZCBZRTH-AWEZNQCLSA-N 0 3 375.856 3.775 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000102691181 838185147 /nfs/dbraw/zinc/18/51/47/838185147.db2.gz YXWXWKZVASMIFD-OAQYLSRUSA-N 0 3 399.447 3.600 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000513110279 844504586 /nfs/dbraw/zinc/50/45/86/844504586.db2.gz MOHUZKROGDPUTE-UHFFFAOYSA-N 0 3 396.491 3.855 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(CN3CCOCC3)cc1)CCCC2 ZINC000417333823 840736396 /nfs/dbraw/zinc/73/63/96/840736396.db2.gz ZFNHFQZQCWSWNE-QHCPKHFHSA-N 0 3 395.503 3.984 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(-n3ccnn3)cc2)cc1[N+](=O)[O-] ZINC000181746471 841321001 /nfs/dbraw/zinc/32/10/01/841321001.db2.gz CBXXSNCLUJYVNU-HUUCEWRRSA-N 0 3 381.436 3.986 20 5 GHBDHN C[C@H](CCN1CCN(C)CC1)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302237526 861246678 /nfs/dbraw/zinc/24/66/78/861246678.db2.gz GOPZVRWTFIWIJL-LLVKDONJSA-N 0 3 394.825 3.705 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000157964311 842295627 /nfs/dbraw/zinc/29/56/27/842295627.db2.gz GGEYZTZTKCVUCI-AWEZNQCLSA-N 0 3 387.484 3.843 20 5 GHBDHN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000131310638 861310142 /nfs/dbraw/zinc/31/01/42/861310142.db2.gz ZAEVOZHNUUAMLX-INIZCTEOSA-N 0 3 389.521 3.940 20 5 GHBDHN CCc1cc(NC[C@@H](c2cccs2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000603937392 861418271 /nfs/dbraw/zinc/41/82/71/861418271.db2.gz QZYWBLMFLXVPDH-KRWDZBQOSA-N 0 3 397.504 3.812 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190335203 844823961 /nfs/dbraw/zinc/82/39/61/844823961.db2.gz GJJAQNVAJRIIMC-GGPKGHCWSA-N 0 3 398.459 3.840 20 5 GHBDHN CN1CCN(Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)CC1 ZINC000731206819 861513093 /nfs/dbraw/zinc/51/30/93/861513093.db2.gz VABGSQPAQQVGDO-UHFFFAOYSA-N 0 3 397.504 3.564 20 5 GHBDHN COC(=O)[C@H](C)CN(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000509787754 845419483 /nfs/dbraw/zinc/41/94/83/845419483.db2.gz OGOFAKXUTBDVIG-CYBMUJFWSA-N 0 3 376.384 3.767 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C[C@H](C)O1 ZINC000450371680 845615585 /nfs/dbraw/zinc/61/55/85/845615585.db2.gz JLUWZAFCWUFNEO-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN Cc1cnc(C2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000277403851 846031697 /nfs/dbraw/zinc/03/16/97/846031697.db2.gz JDPJDMKUBLGGHK-UHFFFAOYSA-N 0 3 388.493 3.876 20 5 GHBDHN CCOCc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000237016016 846567103 /nfs/dbraw/zinc/56/71/03/846567103.db2.gz DOAUIEMRTGQPDZ-UHFFFAOYSA-N 0 3 380.448 3.822 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCC[C@@H]3CN3CCOCC3)o2)cc1 ZINC000513763430 846822483 /nfs/dbraw/zinc/82/24/83/846822483.db2.gz XTHJAAYNHXOMCF-LJQANCHMSA-N 0 3 385.464 3.542 20 5 GHBDHN CC[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000127471620 846959691 /nfs/dbraw/zinc/95/96/91/846959691.db2.gz LTVDEISMVPXZRM-LJQANCHMSA-N 0 3 376.478 3.641 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420944707 847566140 /nfs/dbraw/zinc/56/61/40/847566140.db2.gz JUJVWNYHCVPIBS-GFCCVEGCSA-N 0 3 387.358 3.557 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000604123697 861808733 /nfs/dbraw/zinc/80/87/33/861808733.db2.gz ZVUQGQHUIFXPEW-MGPUTAFESA-N 0 3 384.480 3.820 20 5 GHBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1OC ZINC000479900002 847934079 /nfs/dbraw/zinc/93/40/79/847934079.db2.gz JAQLARXBEMNNOR-XZJROXQQSA-N 0 3 383.876 3.759 20 5 GHBDHN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000129378960 847943752 /nfs/dbraw/zinc/94/37/52/847943752.db2.gz ALFXGHJBPXMJHP-UHFFFAOYSA-N 0 3 399.516 3.757 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000162606317 861850747 /nfs/dbraw/zinc/85/07/47/861850747.db2.gz IYKKVNISCCBZTH-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069789135 848224171 /nfs/dbraw/zinc/22/41/71/848224171.db2.gz WOTKWRRMTAIDJZ-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N2CCCC2)cc1 ZINC000061502584 862057745 /nfs/dbraw/zinc/05/77/45/862057745.db2.gz ATXPYWRZPAKQHG-HXUWFJFHSA-N 0 3 392.459 3.951 20 5 GHBDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000425239664 849888005 /nfs/dbraw/zinc/88/80/05/849888005.db2.gz NZNJPBQYKVFYBO-OAHLLOKOSA-N 0 3 377.448 3.597 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Cc1ccccc1 ZINC000027583621 850450186 /nfs/dbraw/zinc/45/01/86/850450186.db2.gz JEYWEXBIRWQUMN-KRWDZBQOSA-N 0 3 383.473 3.712 20 5 GHBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487246305 850597287 /nfs/dbraw/zinc/59/72/87/850597287.db2.gz HQBXHYYGZVLRHU-OAHLLOKOSA-N 0 3 383.473 3.713 20 5 GHBDHN Cc1cc(NC[C@@H](c2ccsc2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489232907 852151160 /nfs/dbraw/zinc/15/11/60/852151160.db2.gz NZSGZQFCUSPWQA-KRWDZBQOSA-N 0 3 383.477 3.558 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000489950781 852666804 /nfs/dbraw/zinc/66/68/04/852666804.db2.gz GGQJRMBBUHWZIL-LJQANCHMSA-N 0 3 385.464 3.723 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000732645438 862400883 /nfs/dbraw/zinc/40/08/83/862400883.db2.gz CBUFRXAIUVKKBW-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN CCOc1ccc(C(=O)NC[C@H](c2ccsc2)N(CC)CC)cc1[N+](=O)[O-] ZINC000029414839 853091625 /nfs/dbraw/zinc/09/16/25/853091625.db2.gz VBJDADPQZFXZKE-QGZVFWFLSA-N 0 3 391.493 3.868 20 5 GHBDHN CC(C)c1ccc(CNCCNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000518274070 853148251 /nfs/dbraw/zinc/14/82/51/853148251.db2.gz ZXQASNZOZFIGIN-UHFFFAOYSA-N 0 3 375.856 3.891 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000518370213 853266900 /nfs/dbraw/zinc/26/69/00/853266900.db2.gz ONBOICFUETWGNK-WCFLWFBJSA-N 0 3 389.374 3.641 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000518410676 853314685 /nfs/dbraw/zinc/31/46/85/853314685.db2.gz WMJTYTRQAUNHTI-QFBILLFUSA-N 0 3 382.464 3.572 20 5 GHBDHN CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760656944 853659492 /nfs/dbraw/zinc/65/94/92/853659492.db2.gz NZOCFKAYNORTIV-NZIDHHNMSA-N 0 3 379.460 3.731 20 5 GHBDHN Cc1c(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000163919579 862605659 /nfs/dbraw/zinc/60/56/59/862605659.db2.gz STGCXZFICAPKRO-UHFFFAOYSA-N 0 3 399.516 3.676 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C[C@H](C)O1 ZINC000301549122 855237943 /nfs/dbraw/zinc/23/79/43/855237943.db2.gz LWDANFVJFNOGDZ-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000171412232 856128101 /nfs/dbraw/zinc/12/81/01/856128101.db2.gz JRSZUDYREFQWKM-HXUWFJFHSA-N 0 3 384.480 3.818 20 5 GHBDHN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[C@@H](N2CCCC2)C1 ZINC000171440552 856140282 /nfs/dbraw/zinc/14/02/82/856140282.db2.gz AKTSVLOIBNEAIS-QGZVFWFLSA-N 0 3 381.432 3.697 20 5 GHBDHN C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000281010805 862802422 /nfs/dbraw/zinc/80/24/22/862802422.db2.gz OFVVYACAPLBKAJ-LBPRGKRZSA-N 0 3 380.491 3.551 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000462983562 856750881 /nfs/dbraw/zinc/75/08/81/856750881.db2.gz ADPBAKUYUKGFCJ-GOSISDBHSA-N 0 3 375.513 3.742 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000592187239 856790651 /nfs/dbraw/zinc/79/06/51/856790651.db2.gz MSGFBHZWQFJCBX-FPOVZHCZSA-N 0 3 380.444 3.728 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2cccc(-n3cccn3)c2)cccc1[N+](=O)[O-] ZINC000173210059 856809954 /nfs/dbraw/zinc/80/99/54/856809954.db2.gz XCTSBCVFQQWKTP-HOTGVXAUSA-N 0 3 393.447 3.767 20 5 GHBDHN CC(C)OCCN1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301650357 856826172 /nfs/dbraw/zinc/82/61/72/856826172.db2.gz FZVDFNAJNLVGJX-UHFFFAOYSA-N 0 3 386.290 3.659 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1 ZINC000593029910 857185199 /nfs/dbraw/zinc/18/51/99/857185199.db2.gz ZMXUGGLKDKELKF-IXMYUCAJSA-N 0 3 390.480 3.533 20 5 GHBDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129152947 857704301 /nfs/dbraw/zinc/70/43/01/857704301.db2.gz VAESOBOWPQFLII-OXQOHEQNSA-N 0 3 377.460 3.513 20 5 GHBDHN Cc1c(CC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000438932470 857757053 /nfs/dbraw/zinc/75/70/53/857757053.db2.gz NHCAFQJRAJIUIK-HXUWFJFHSA-N 0 3 381.476 3.569 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H](c1ccccc1)N(C)C ZINC000508908456 858073182 /nfs/dbraw/zinc/07/31/82/858073182.db2.gz SOYTVPSGRBSTBA-HRAATJIYSA-N 0 3 396.491 3.960 20 5 GHBDHN CO[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCOC1 ZINC000594950117 858343422 /nfs/dbraw/zinc/34/34/22/858343422.db2.gz INNQDFAGGTUMKK-SGTLLEGYSA-N 0 3 380.828 3.649 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)o1 ZINC000594991072 858360012 /nfs/dbraw/zinc/36/00/12/858360012.db2.gz ZCJJRSPEKDJLKN-NHCUHLMSSA-N 0 3 397.475 3.588 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc(OC2CC2)c1F ZINC000595067022 858370130 /nfs/dbraw/zinc/37/01/30/858370130.db2.gz DWVMHTIUMRJPTD-CYBMUJFWSA-N 0 3 387.411 3.782 20 5 GHBDHN COc1ccc(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c(OC)c1OC ZINC000595037221 858375761 /nfs/dbraw/zinc/37/57/61/858375761.db2.gz LOYXIKIJUSNATN-ZDUSSCGKSA-N 0 3 390.436 3.523 20 5 GHBDHN COc1ccc(C[C@@H](C)NCc2cn(Cc3ccc(F)cc3)cn2)c([N+](=O)[O-])c1 ZINC001170322389 881358721 /nfs/dbraw/zinc/35/87/21/881358721.db2.gz FPUMACWPJBOYDF-OAHLLOKOSA-N 0 3 398.438 3.708 20 5 GHBDHN Cc1nc2ccccc2n1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000482872713 858931704 /nfs/dbraw/zinc/93/17/04/858931704.db2.gz CGXBCFLGWVOSTK-UHFFFAOYSA-N 0 3 380.448 3.969 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000068589969 859108040 /nfs/dbraw/zinc/10/80/40/859108040.db2.gz VDZSXNRSPQYKJS-UHFFFAOYSA-N 0 3 390.871 3.522 20 5 GHBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000543645356 859193060 /nfs/dbraw/zinc/19/30/60/859193060.db2.gz WWIPFWREPMHHBW-QGZVFWFLSA-N 0 3 386.427 3.862 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@H](Oc3ncccc3C)C2)c([N+](=O)[O-])c1 ZINC001170354863 881395631 /nfs/dbraw/zinc/39/56/31/881395631.db2.gz QUCFMQASBLUVBM-LPHOPBHVSA-N 0 3 385.464 3.781 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000601620852 859382923 /nfs/dbraw/zinc/38/29/23/859382923.db2.gz LVGLMNPPAZITEH-UHFFFAOYSA-N 0 3 389.427 3.720 20 5 GHBDHN C[C@@H](CC[S@](C)=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000532119513 859397363 /nfs/dbraw/zinc/39/73/63/859397363.db2.gz BCFKQGQKQDLPLK-NRRJATNASA-N 0 3 380.441 3.773 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c(F)c1 ZINC000428572845 859406271 /nfs/dbraw/zinc/40/62/71/859406271.db2.gz NRPAYVOWTLMROA-WOJBJXKFSA-N 0 3 376.403 3.737 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000117746714 859604235 /nfs/dbraw/zinc/60/42/35/859604235.db2.gz LZFIGYBRMMEMHY-IBGZPJMESA-N 0 3 387.867 3.744 20 5 GHBDHN COc1cccc(C[C@@H]2CCCN2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611262785 859672023 /nfs/dbraw/zinc/67/20/23/859672023.db2.gz SITLKIKSTFNWFU-KRWDZBQOSA-N 0 3 384.432 3.582 20 5 GHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765033056 859740551 /nfs/dbraw/zinc/74/05/51/859740551.db2.gz OBAMMEWKOJLUIC-MGPUTAFESA-N 0 3 375.469 3.989 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000466518025 859817292 /nfs/dbraw/zinc/81/72/92/859817292.db2.gz XZBNPJYVXQIMSV-UWVAXJGDSA-N 0 3 396.491 3.926 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000593436358 859839295 /nfs/dbraw/zinc/83/92/95/859839295.db2.gz FHPCQVXWCDPIHB-FQEVSTJZSA-N 0 3 385.439 3.538 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170345747 881469453 /nfs/dbraw/zinc/46/94/53/881469453.db2.gz LKHMIKLGESYLAI-HOCLYGCPSA-N 0 3 378.469 3.588 20 5 GHBDHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000124219105 860275808 /nfs/dbraw/zinc/27/58/08/860275808.db2.gz DULGUBTVFKQGCT-MRXNPFEDSA-N 0 3 385.464 3.983 20 5 GHBDHN Cc1cccc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000025534456 860535162 /nfs/dbraw/zinc/53/51/62/860535162.db2.gz OQNWGOZZALLXJP-FQEVSTJZSA-N 0 3 381.476 3.716 20 5 GHBDHN COc1ccc(CN2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)cc1 ZINC000599023478 860732933 /nfs/dbraw/zinc/73/29/33/860732933.db2.gz SROUYVIHZXKUJI-UHFFFAOYSA-N 0 3 392.459 3.864 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C[C@H]3c3cccc(F)c3)o2)c1 ZINC000281628732 863293521 /nfs/dbraw/zinc/29/35/21/863293521.db2.gz HZSVJBRRSHVDLI-MOPGFXCFSA-N 0 3 397.406 3.739 20 5 GHBDHN Cc1ccccc1C[C@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000734145538 864032930 /nfs/dbraw/zinc/03/29/30/864032930.db2.gz LSNHSDPSRFEKKL-LJQANCHMSA-N 0 3 377.448 3.826 20 5 GHBDHN C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN(Cc2ccccc2)C1 ZINC000519757152 864523302 /nfs/dbraw/zinc/52/33/02/864523302.db2.gz GVLJIRNOGHOMBY-FQEVSTJZSA-N 0 3 387.867 3.572 20 5 GHBDHN COc1cc(CN[C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000186334153 864859998 /nfs/dbraw/zinc/85/99/98/864859998.db2.gz AINSUSDQHLFFDM-UKRRQHHQSA-N 0 3 388.411 3.888 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594197509 865337439 /nfs/dbraw/zinc/33/74/39/865337439.db2.gz OWBYDAMUASLMOL-IAGOWNOFSA-N 0 3 377.510 3.844 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C[C@H](C)O1 ZINC000301549924 865417958 /nfs/dbraw/zinc/41/79/58/865417958.db2.gz MAKFMXUUBKSGAT-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000192588997 881925369 /nfs/dbraw/zinc/92/53/69/881925369.db2.gz GERVFWVCYWBSSI-VBKZILBWSA-N 0 3 383.448 3.980 20 5 GHBDHN COc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cc2F)N(C)C)cc1OC ZINC000461724772 866070558 /nfs/dbraw/zinc/07/05/58/866070558.db2.gz BRGVCVAWAQMEPE-QGZVFWFLSA-N 0 3 377.416 3.774 20 5 GHBDHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000534246177 866363480 /nfs/dbraw/zinc/36/34/80/866363480.db2.gz MKWHARATHXOTEP-QGZVFWFLSA-N 0 3 392.459 3.813 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000456327570 866447186 /nfs/dbraw/zinc/44/71/86/866447186.db2.gz HRKLYHDNAQTYHM-GOSISDBHSA-N 0 3 381.476 3.508 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N1Cc2ccccc2C1 ZINC000479514262 867938857 /nfs/dbraw/zinc/93/88/57/867938857.db2.gz OIJCDEXUPVACJK-CRAIPNDOSA-N 0 3 399.516 3.986 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000535367748 868637817 /nfs/dbraw/zinc/63/78/17/868637817.db2.gz TWGYNYNGQGNIQI-MAUKXSAKSA-N 0 3 392.459 3.570 20 5 GHBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793607949 882318263 /nfs/dbraw/zinc/31/82/63/882318263.db2.gz GASLCOHLOIMKPJ-CZUORRHYSA-N 0 3 376.840 3.758 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000524837929 869641721 /nfs/dbraw/zinc/64/17/21/869641721.db2.gz WMWAMOJRQDHIRQ-OAQYLSRUSA-N 0 3 398.507 3.828 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462167780 871729696 /nfs/dbraw/zinc/72/96/96/871729696.db2.gz CFFNKIPIRITNMJ-LPHOPBHVSA-N 0 3 381.476 3.770 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@@H](CO)[C@@H]2CCCO2)cc1 ZINC000447975522 872592436 /nfs/dbraw/zinc/59/24/36/872592436.db2.gz HEEKNNCUEVZCNJ-WMZOPIPTSA-N 0 3 392.839 3.670 20 5 GHBDHN C[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000619512566 872717020 /nfs/dbraw/zinc/71/70/20/872717020.db2.gz SCUXRUPAIKAXDU-LBPRGKRZSA-N 0 3 380.242 3.872 20 5 GHBDHN CC1(C)CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCc2ccccc21 ZINC001196031963 872843769 /nfs/dbraw/zinc/84/37/69/872843769.db2.gz LNJBEITTWHALJJ-UHFFFAOYSA-N 0 3 378.432 3.981 20 5 GHBDHN CN(C)CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000541260644 873229696 /nfs/dbraw/zinc/22/96/96/873229696.db2.gz WYNYZAQCOQALKL-UHFFFAOYSA-N 0 3 393.896 3.935 20 5 GHBDHN CC(C)C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000541326331 873374784 /nfs/dbraw/zinc/37/47/84/873374784.db2.gz BRVIFKHJLNQGRR-IBGZPJMESA-N 0 3 376.478 3.746 20 5 GHBDHN CC(C)N(C)Cc1ccccc1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448718417 873850078 /nfs/dbraw/zinc/85/00/78/873850078.db2.gz XGCCUJPAFUVUQD-UHFFFAOYSA-N 0 3 397.475 3.714 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000769228253 873906063 /nfs/dbraw/zinc/90/60/63/873906063.db2.gz MSVRCTWDNLVOIZ-HXUWFJFHSA-N 0 3 376.403 3.861 20 5 GHBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000464843107 874614708 /nfs/dbraw/zinc/61/47/08/874614708.db2.gz PZWSLLKIHXECRV-ROUUACIJSA-N 0 3 396.491 3.518 20 5 GHBDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000770385708 874670583 /nfs/dbraw/zinc/67/05/83/874670583.db2.gz KGDQQADHOBUDAZ-VTBIRBAPSA-N 0 3 375.469 3.843 20 5 GHBDHN CN(C)[C@H](CNCc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001198907723 874724165 /nfs/dbraw/zinc/72/41/65/874724165.db2.gz FNCXHPUZOXJYJA-QGZVFWFLSA-N 0 3 378.270 3.750 20 5 GHBDHN COc1cc(COC(=O)c2cccc(CN3CCCC3)c2)c([N+](=O)[O-])cc1F ZINC000785714974 876221473 /nfs/dbraw/zinc/22/14/73/876221473.db2.gz SWPMEYJARHYAAD-UHFFFAOYSA-N 0 3 388.395 3.695 20 5 GHBDHN CC(C)Oc1ccc2nccc(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2c1 ZINC000450485211 876509448 /nfs/dbraw/zinc/50/94/48/876509448.db2.gz OOEZRFKOWBLORG-UHFFFAOYSA-N 0 3 381.436 3.968 20 5 GHBDHN COC[C@H](CCO)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000610090185 877386538 /nfs/dbraw/zinc/38/65/38/877386538.db2.gz RVZPAPVLHRLBAT-HNNXBMFYSA-N 0 3 380.828 3.528 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451326423 877806056 /nfs/dbraw/zinc/80/60/56/877806056.db2.gz CYILPHLDEPVPJP-SFHVURJKSA-N 0 3 391.855 3.551 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451402957 877924207 /nfs/dbraw/zinc/92/42/07/877924207.db2.gz CLSZMCUNQLAMBW-RYUDHWBXSA-N 0 3 389.374 3.595 20 5 GHBDHN CC1(C(=O)OCCOc2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000772717092 877988732 /nfs/dbraw/zinc/98/87/32/877988732.db2.gz FYHDEZNKJPBHGL-UHFFFAOYSA-N 0 3 398.459 3.819 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000451543490 878113095 /nfs/dbraw/zinc/11/30/95/878113095.db2.gz BZSZLPCMYUFSKJ-PKOBYXMFSA-N 0 3 395.459 3.695 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000530898051 878707735 /nfs/dbraw/zinc/70/77/35/878707735.db2.gz PAHUQBCMSRBJBG-UHFFFAOYSA-N 0 3 396.491 3.820 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC[C@H]3CCOC3)o2)c(Cl)c1 ZINC000068995318 879360601 /nfs/dbraw/zinc/36/06/01/879360601.db2.gz XODFDOPNTUFYJQ-ZDUSSCGKSA-N 0 3 380.828 3.651 20 5 GHBDHN COc1cc(CN[C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000493709695 879605152 /nfs/dbraw/zinc/60/51/52/879605152.db2.gz UGPUMCXXTRXZIX-MAUKXSAKSA-N 0 3 388.411 3.541 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1F ZINC000790517325 879789032 /nfs/dbraw/zinc/78/90/32/879789032.db2.gz QPKLMWOVPMVAAL-UHFFFAOYSA-N 0 3 395.381 3.525 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000543702998 880127651 /nfs/dbraw/zinc/12/76/51/880127651.db2.gz IQFQBBRLJBOLSB-WMZOPIPTSA-N 0 3 379.382 3.910 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCN(CC(F)(F)F)C2)c2ccccc2)c1 ZINC000543702995 880127690 /nfs/dbraw/zinc/12/76/90/880127690.db2.gz IQFQBBRLJBOLSB-AEFFLSMTSA-N 0 3 379.382 3.910 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN([C@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000453291681 880733344 /nfs/dbraw/zinc/73/33/44/880733344.db2.gz VFAZTCKOFGAGAP-FQEVSTJZSA-N 0 3 398.463 3.683 20 5 GHBDHN COc1ccc([C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C2CC2)cc1 ZINC000193345047 885659085 /nfs/dbraw/zinc/65/90/85/885659085.db2.gz LECRBOMWWHRREY-XCLFUZPHSA-N 0 3 399.447 3.680 20 5 GHBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000194937919 885844363 /nfs/dbraw/zinc/84/43/63/885844363.db2.gz CSDBHBSCEFCALF-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000119493971 886736971 /nfs/dbraw/zinc/73/69/71/886736971.db2.gz PWMNBTXECXVIAE-PKOBYXMFSA-N 0 3 381.476 3.788 20 5 GHBDHN CC(C)(C)NC(=O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000609223770 887144382 /nfs/dbraw/zinc/14/43/82/887144382.db2.gz XXKCHGFUZYWGSC-UHFFFAOYSA-N 0 3 389.427 3.921 20 5 GHBDHN Cc1ccc([C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000272471508 887555239 /nfs/dbraw/zinc/55/52/39/887555239.db2.gz AKMFMYCAGWGKBN-LEWJYISDSA-N 0 3 393.491 3.619 20 5 GHBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809996083 888054157 /nfs/dbraw/zinc/05/41/57/888054157.db2.gz RKJWQWRBCIWGLL-LBPRGKRZSA-N 0 3 388.295 3.587 20 5 GHBDHN COc1cc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC001132393732 888751331 /nfs/dbraw/zinc/75/13/31/888751331.db2.gz SNZAZHXDUOMPOW-IBGZPJMESA-N 0 3 397.475 3.696 20 5 GHBDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000454758787 889697822 /nfs/dbraw/zinc/69/78/22/889697822.db2.gz LAURCDYBYJXRIQ-ZWKOTPCHSA-N 0 3 396.491 3.819 20 5 GHBDHN COc1ccc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3ccccc3n2)cc1OC ZINC000813110327 891304470 /nfs/dbraw/zinc/30/44/70/891304470.db2.gz XXZGIIGXBGFECI-ZDUSSCGKSA-N 0 3 396.399 3.741 20 5 GHBDHN Cc1c(CNc2ccc(OCCCN3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000873132807 891479622 /nfs/dbraw/zinc/47/96/22/891479622.db2.gz GSRZSWOQYKQRSB-UHFFFAOYSA-N 0 3 398.507 3.532 20 5 GHBDHN CCOc1cccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000428679819 893217844 /nfs/dbraw/zinc/21/78/44/893217844.db2.gz KFLYRMXEUITTID-GOSISDBHSA-N 0 3 385.464 3.697 20 5 GHBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1nc2ccccc2s1 ZINC000877047438 893455971 /nfs/dbraw/zinc/45/59/71/893455971.db2.gz ZNQBUBUTDROLFY-ZDUSSCGKSA-N 0 3 383.477 3.919 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000877174742 893521783 /nfs/dbraw/zinc/52/17/83/893521783.db2.gz VDDHPGPMRBTPAT-LJQANCHMSA-N 0 3 385.508 3.826 20 5 GHBDHN CC(C)(C)[C@H](COc1ccccc1F)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000537292657 894717828 /nfs/dbraw/zinc/71/78/28/894717828.db2.gz YXHTYGGKWVNDFU-SFHVURJKSA-N 0 3 389.427 3.756 20 5 GHBDHN O=C(CCNCc1ccnc(OC2CCCCC2)c1)Nc1ccccc1[N+](=O)[O-] ZINC000566110001 896115473 /nfs/dbraw/zinc/11/54/73/896115473.db2.gz VZOKNPZORCVEPW-UHFFFAOYSA-N 0 3 398.463 3.820 20 5 GHBDHN COc1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1OC1CCCC1 ZINC000819070680 896386279 /nfs/dbraw/zinc/38/62/79/896386279.db2.gz YVRLYWNRUZYSQC-IBGZPJMESA-N 0 3 386.448 3.748 20 5 GHBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000567603141 897285880 /nfs/dbraw/zinc/28/58/80/897285880.db2.gz NFTONVANUXXWFG-BBWFWOEESA-N 0 3 391.515 3.778 20 5 GHBDHN C[C@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000568638732 898000938 /nfs/dbraw/zinc/00/09/38/898000938.db2.gz GCNLGLNHXGLULQ-HRAATJIYSA-N 0 3 382.464 3.620 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C)cc1 ZINC000569045341 898295527 /nfs/dbraw/zinc/29/55/27/898295527.db2.gz LKQSKNYGVMDMCF-IBGZPJMESA-N 0 3 398.488 3.831 20 5 GHBDHN CC(C)[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000569171242 898388762 /nfs/dbraw/zinc/38/87/62/898388762.db2.gz NQVYEFFLOAWNMT-JTSKRJEESA-N 0 3 395.503 3.897 20 5 GHBDHN CC(C)(C)OC(=O)CC[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823244899 898937575 /nfs/dbraw/zinc/93/75/75/898937575.db2.gz ZVABWFYJCIZXNY-SJLPKXTDSA-N 0 3 378.469 3.605 20 5 GHBDHN C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571301539 899818827 /nfs/dbraw/zinc/81/88/27/899818827.db2.gz ADDQRWJVDMZRSS-UGSOOPFHSA-N 0 3 390.871 3.911 20 5 GHBDHN CN(CCCN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)Cc1ccncc1 ZINC000572637344 900240611 /nfs/dbraw/zinc/24/06/11/900240611.db2.gz CSRLHXJYOOAMMP-UHFFFAOYSA-N 0 3 398.507 3.881 20 5 GHBDHN CCCN(Cc1cccnc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886043907 900688589 /nfs/dbraw/zinc/68/85/89/900688589.db2.gz MGJYYZGVUSGENA-UHFFFAOYSA-N 0 3 378.473 3.601 20 5 GHBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000577012928 902432642 /nfs/dbraw/zinc/43/26/42/902432642.db2.gz AWHNAPRKENXQNR-VQIMIIECSA-N 0 3 379.460 3.889 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872477 902473645 /nfs/dbraw/zinc/47/36/45/902473645.db2.gz IFUPRVMJPOSRDA-XIKOKIGWSA-N 0 3 386.379 3.738 20 5 GHBDHN COc1cccc2c1OCC(C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-])=C2 ZINC000845874620 902476723 /nfs/dbraw/zinc/47/67/23/902476723.db2.gz IWNSXLOELJPUEM-SGTLLEGYSA-N 0 3 387.363 3.560 20 5 GHBDHN CC([C@H](OC(=O)c1cnn(CCC(F)(F)F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872987 902476753 /nfs/dbraw/zinc/47/67/53/902476753.db2.gz AZSLQLWUHYAQFR-YGRLFVJLSA-N 0 3 389.305 3.538 20 5 GHBDHN COc1ccc2c(c1)C=C(C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])CO2 ZINC000845876610 902480652 /nfs/dbraw/zinc/48/06/52/902480652.db2.gz NDKNEDYXHWZTHB-HXPMCKFVSA-N 0 3 387.363 3.560 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000845878239 902482505 /nfs/dbraw/zinc/48/25/05/902482505.db2.gz RTZHWEMDRNTCRY-LXIYXOSZSA-N 0 3 375.400 3.865 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)Cc1cnc2ccccc2n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882363 902486316 /nfs/dbraw/zinc/48/63/16/902486316.db2.gz ONSXJIGAGKTSJG-CKNLXJGOSA-N 0 3 397.406 3.897 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ccc(-n4cncn4)c(F)c3)C2)cc1 ZINC000577339628 902697189 /nfs/dbraw/zinc/69/71/89/902697189.db2.gz KDHCREYZMFFDAG-QGZVFWFLSA-N 0 3 381.411 3.694 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCO[C@@]4(CCSC4)C3)cs2)c1 ZINC000151332950 904106391 /nfs/dbraw/zinc/10/63/91/904106391.db2.gz LGLLSEZYUVORIH-KSSFIOAISA-N 0 3 391.518 3.863 20 5 GHBDHN COc1cccc(CN2CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172918739 905988285 /nfs/dbraw/zinc/98/82/85/905988285.db2.gz CELRTGONYDAEFA-OAQYLSRUSA-N 0 3 395.503 3.669 20 5 GHBDHN CCOC(=O)[C@]1(C)CCCCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180192 906258470 /nfs/dbraw/zinc/25/84/70/906258470.db2.gz JFWOCNUTBBHCFF-VBKZILBWSA-N 0 3 396.459 3.729 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001173223067 906301929 /nfs/dbraw/zinc/30/19/29/906301929.db2.gz XASKWRJHZYDQGS-JLSDUUJJSA-N 0 3 375.469 3.610 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001173230719 906313979 /nfs/dbraw/zinc/31/39/79/906313979.db2.gz ZVGASETUJDARJD-JKSUJKDBSA-N 0 3 377.485 3.857 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001173232480 906317835 /nfs/dbraw/zinc/31/78/35/906317835.db2.gz BPBAGIVOZIXKDX-MAUKXSAKSA-N 0 3 397.450 3.785 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001173238969 906350276 /nfs/dbraw/zinc/35/02/76/906350276.db2.gz YVPQJSSDKWMHBN-BEFAXECRSA-N 0 3 380.448 3.648 20 5 GHBDHN C[C@](CO)(Cc1ccc(F)cc1)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001176589993 908170100 /nfs/dbraw/zinc/17/01/00/908170100.db2.gz YYQJSEKLEZPIQF-QGZVFWFLSA-N 0 3 386.345 3.836 20 5 GHBDHN O=C(CCN1CC=C(c2ccc(Cl)nc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000773665765 908563528 /nfs/dbraw/zinc/56/35/28/908563528.db2.gz ZYEUNTLFKPSWPZ-UHFFFAOYSA-N 0 3 386.839 3.761 20 5 GHBDHN COc1cc(CNCCCOC(C)(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001179096498 909384813 /nfs/dbraw/zinc/38/48/13/909384813.db2.gz ZDJSAMIUEJFUFD-UHFFFAOYSA-N 0 3 394.390 3.839 20 5 GHBDHN CCn1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(-c2ccccc2)n1 ZINC001179937069 909813845 /nfs/dbraw/zinc/81/38/45/909813845.db2.gz JMADXUQHLUKCHF-GOSISDBHSA-N 0 3 392.463 3.560 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000291581821 915260186 /nfs/dbraw/zinc/26/01/86/915260186.db2.gz OWVOCVAXZRESRW-BDJLRTHQSA-N 0 3 389.279 3.559 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000775357248 917147655 /nfs/dbraw/zinc/14/76/55/917147655.db2.gz UYZOUDSCSGHPHR-UHFFFAOYSA-N 0 3 389.761 3.917 20 5 GHBDHN O=C(CN[C@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775422656 917694882 /nfs/dbraw/zinc/69/48/82/917694882.db2.gz YDZZMMZOKSMCGB-IFXJQAMLSA-N 0 3 389.839 3.554 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000364098332 919144905 /nfs/dbraw/zinc/14/49/05/919144905.db2.gz FAJDGBOBDFMFBI-DIFFPNOSSA-N 0 3 395.431 3.747 20 5 GHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000410056384 925279958 /nfs/dbraw/zinc/27/99/58/925279958.db2.gz YDNCXOBDHXQQCN-HXUWFJFHSA-N 0 3 381.476 3.798 20 5 GHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411153241 926138485 /nfs/dbraw/zinc/13/84/85/926138485.db2.gz AZRKCAFWCJLZDT-KSZLIROESA-N 0 3 385.489 3.713 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2ccc(Cl)cc2)CC1 ZINC000411466241 926423948 /nfs/dbraw/zinc/42/39/48/926423948.db2.gz ZXZASHPOZYLGCB-UHFFFAOYSA-N 0 3 389.839 3.864 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(F)(c2cccnc2)CC1 ZINC000375362840 928215399 /nfs/dbraw/zinc/21/53/99/928215399.db2.gz QELZCAWOUDVWNS-UHFFFAOYSA-N 0 3 386.427 3.588 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000543875970 928524717 /nfs/dbraw/zinc/52/47/17/928524717.db2.gz NLUWSNUGGXMBMU-MRXNPFEDSA-N 0 3 375.450 3.692 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000467443889 929079041 /nfs/dbraw/zinc/07/90/41/929079041.db2.gz UCIKHOQFXHGBLO-BXWFABGCSA-N 0 3 397.475 3.834 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000546591326 930281756 /nfs/dbraw/zinc/28/17/56/930281756.db2.gz FWEOPSJUCDKBLL-UHFFFAOYSA-N 0 3 385.855 3.837 20 5 GHBDHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000783240719 931471990 /nfs/dbraw/zinc/47/19/90/931471990.db2.gz OXVNTLFKIHJWHC-QLJPJBMISA-N 0 3 383.217 3.881 20 5 GHBDHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1Oc1ccccc1 ZINC000783680295 931616179 /nfs/dbraw/zinc/61/61/79/931616179.db2.gz WAOYERYGKQSUOV-UHOSZYNNSA-N 0 3 376.840 3.963 20 5 GHBDHN C[C@@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000783920377 931717035 /nfs/dbraw/zinc/71/70/35/931717035.db2.gz KNQKCLSNGFAFET-OAHLLOKOSA-N 0 3 385.489 3.960 20 5 GHBDHN Cc1cccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000561653725 934340456 /nfs/dbraw/zinc/34/04/56/934340456.db2.gz USQQSRVGWHQXQU-LJQANCHMSA-N 0 3 385.464 3.723 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CNC2(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000830326771 935931268 /nfs/dbraw/zinc/93/12/68/935931268.db2.gz CONUPIVFFAZKJJ-MRXNPFEDSA-N 0 3 382.338 3.806 20 5 GHBDHN CCOC(=O)c1ccc(O[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227297105 1032359670 /nfs/dbraw/zinc/35/96/70/1032359670.db2.gz LFJBHOBLVAXHAZ-GOSISDBHSA-N 0 3 384.432 3.815 20 5 GHBDHN CCOC(=O)c1ccc(OC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001227296908 1032359902 /nfs/dbraw/zinc/35/99/02/1032359902.db2.gz IBIVPZFRMOLCJD-UHFFFAOYSA-N 0 3 384.432 3.815 20 5 GHBDHN C[C@]1(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCCN1Cc1ccccc1 ZINC000778071695 1018125734 /nfs/dbraw/zinc/12/57/34/1018125734.db2.gz ZJULHZWWBVUXLF-HXUWFJFHSA-N 0 3 389.402 3.658 20 5 GHBDHN C[Si](C)(C)CCOCN[C@@H]1CCCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001156464131 1033046323 /nfs/dbraw/zinc/04/63/23/1033046323.db2.gz FPXYIJQNUJIFTK-CYBMUJFWSA-N 0 3 386.956 3.514 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)nc1-n1cncc1CNCc1ccccc1 ZINC001156482149 1033056699 /nfs/dbraw/zinc/05/66/99/1033056699.db2.gz IQJOYOMIVBSXMF-UHFFFAOYSA-N 0 3 378.219 3.772 20 5 GHBDHN CC(=O)Nc1cc(O[C@H](CCN(C)C)c2ccccc2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229127957 1033291607 /nfs/dbraw/zinc/29/16/07/1033291607.db2.gz HHHPHGSFPKIJNI-HXUWFJFHSA-N 0 3 399.447 3.828 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001162442615 1025749567 /nfs/dbraw/zinc/74/95/67/1025749567.db2.gz LMCWTKIADAEUEE-UHFFFAOYSA-N 0 3 397.475 3.791 20 5 GHBDHN O=C(NCCCN1CCc2ccccc2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001141592374 1025769386 /nfs/dbraw/zinc/76/93/86/1025769386.db2.gz HTXAUNCHOXKXNZ-UHFFFAOYSA-N 0 3 393.487 3.581 20 5 GHBDHN O=C(CN[C@H](c1ccccc1)[C@@H]1CCOC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839541633 1026034773 /nfs/dbraw/zinc/03/47/73/1026034773.db2.gz XERJMPOPZKYHGT-AUUYWEPGSA-N 0 3 389.839 3.554 20 5 GHBDHN O=C(CN[C@H](c1ccccc1)[C@H]1CCOC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839541637 1026034967 /nfs/dbraw/zinc/03/49/67/1026034967.db2.gz XERJMPOPZKYHGT-IFXJQAMLSA-N 0 3 389.839 3.554 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000841024411 1028050706 /nfs/dbraw/zinc/05/07/06/1028050706.db2.gz STQYTYHKNZBRAB-ZJDLJICXSA-N 0 3 391.471 3.841 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001219317589 1031354475 /nfs/dbraw/zinc/35/44/75/1031354475.db2.gz GSVLSYGTWNIMAM-CRAIPNDOSA-N 0 3 398.463 3.778 20 5 GHBDHN C[S@](=O)[C@@H]1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC001461804993 1069759420 /nfs/dbraw/zinc/75/94/20/1069759420.db2.gz HZTRLFBDUOXAGW-PGXXRXHMSA-N 0 3 392.452 3.915 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@]1(CO)C[C@H]1c1ccccc1 ZINC001206062571 1033706295 /nfs/dbraw/zinc/70/62/95/1033706295.db2.gz BGYPZTSFNPWPJS-WMZOPIPTSA-N 0 3 380.366 3.869 20 5 GHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN[C@H](c4ccccc4)C3)nn2)ccc1Cl ZINC001157767120 1033760642 /nfs/dbraw/zinc/76/06/42/1033760642.db2.gz SMXMAIYVYLVBTN-SFHVURJKSA-N 0 3 395.850 3.856 20 5 GHBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3nccc4c5ccccc5ccc43)C[C@H]1N2C ZINC001230203175 1033942878 /nfs/dbraw/zinc/94/28/78/1033942878.db2.gz JFXOAWQTFRXPTL-QPAOKJHLSA-N 0 3 376.456 3.934 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001207669601 1034518837 /nfs/dbraw/zinc/51/88/37/1034518837.db2.gz HSODIJZTZOWTSU-OTMARIDSSA-N 0 3 375.469 3.939 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(NCC2CCN(Cc3ccccn3)CC2)nc1Cl ZINC001161242904 1035189602 /nfs/dbraw/zinc/18/96/02/1035189602.db2.gz ITLXKSVNRZBHHD-UHFFFAOYSA-N 0 3 375.860 3.671 20 5 GHBDHN COc1c(O)ccc(CNCC(C)(C)Oc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC001462224861 1070099250 /nfs/dbraw/zinc/09/92/50/1070099250.db2.gz QFBGVHWRRQZBEC-UHFFFAOYSA-N 0 3 382.363 3.534 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC001462224861 1070099255 /nfs/dbraw/zinc/09/92/55/1070099255.db2.gz QFBGVHWRRQZBEC-UHFFFAOYSA-N 0 3 382.363 3.534 20 5 GHBDHN CC1(C)CCC[C@@](CO)(NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001462434862 1070250519 /nfs/dbraw/zinc/25/05/19/1070250519.db2.gz DPDHGYZXLQLJSH-CQSZACIVSA-N 0 3 377.304 3.840 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCC(O)(c4ccccc4F)CC3)CC2)cc1 ZINC001254479005 1040266466 /nfs/dbraw/zinc/26/64/66/1040266466.db2.gz OGPPFNYWJQRFBX-UHFFFAOYSA-N 0 3 399.466 3.686 20 5 GHBDHN O=C(Nc1ccccc1)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254483006 1040271744 /nfs/dbraw/zinc/27/17/44/1040271744.db2.gz OPBWNYNLZWAYCA-NRFANRHFSA-N 0 3 394.475 3.667 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001254551504 1040318241 /nfs/dbraw/zinc/31/82/41/1040318241.db2.gz CHSRQDHIJACZRA-YWZLYKJASA-N 0 3 375.469 3.611 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001254558027 1040328440 /nfs/dbraw/zinc/32/84/40/1040328440.db2.gz SBFVDSSNJWSMAO-LQBOVUBWSA-N 0 3 397.475 3.623 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254561684 1040334796 /nfs/dbraw/zinc/33/47/96/1040334796.db2.gz IGPAFPVRUYZFJS-MRXNPFEDSA-N 0 3 389.496 3.859 20 5 GHBDHN Cc1ccc(CN2CCO[C@@H](CNCc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 ZINC001462514877 1070318729 /nfs/dbraw/zinc/31/87/29/1070318729.db2.gz HSDXQOGZGSIUAK-SFHVURJKSA-N 0 3 389.883 3.547 20 5 GHBDHN CCN(C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475161615 1041707556 /nfs/dbraw/zinc/70/75/56/1041707556.db2.gz HMCSPHHUCAEVPQ-PKOBYXMFSA-N 0 3 396.491 3.962 20 5 GHBDHN C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC001296715300 1045360544 /nfs/dbraw/zinc/36/05/44/1045360544.db2.gz IFJQVZHIPCTJHT-GTNSWQLSSA-N 0 3 379.819 3.809 20 5 GHBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)N(C)C)cc1 ZINC001298901996 1045981901 /nfs/dbraw/zinc/98/19/01/1045981901.db2.gz ZLIAPSDLCDFODJ-FQEVSTJZSA-N 0 3 387.455 3.965 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001303508878 1047408582 /nfs/dbraw/zinc/40/85/82/1047408582.db2.gz ZDBKNBWJGIFKSE-UHFFFAOYSA-N 0 3 396.369 3.726 20 5 GHBDHN COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001306901780 1048952327 /nfs/dbraw/zinc/95/23/27/1048952327.db2.gz NLTSUUVIEXMSDB-QRWLVFNGSA-N 0 3 385.464 3.562 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1OC ZINC001307629911 1049462740 /nfs/dbraw/zinc/46/27/40/1049462740.db2.gz NGFVZHJEOMZVSF-JYJNAYRXSA-N 0 3 379.501 3.553 20 5 GHBDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307892659 1049670873 /nfs/dbraw/zinc/67/08/73/1049670873.db2.gz ATCOUKIGOUFYBB-RQXXJAGISA-N 0 3 383.492 3.612 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001290309414 1049797711 /nfs/dbraw/zinc/79/77/11/1049797711.db2.gz MTKYBPFUBKZEHL-LJQANCHMSA-N 0 3 385.464 3.507 20 5 GHBDHN COc1ccccc1C1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC001331330721 1051251848 /nfs/dbraw/zinc/25/18/48/1051251848.db2.gz VDRGRQJWDUMIDS-UHFFFAOYSA-N 0 3 399.447 3.610 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001310261502 1051255604 /nfs/dbraw/zinc/25/56/04/1051255604.db2.gz JHDKEDINGAUHAI-CXAGYDPISA-N 0 3 388.855 3.890 20 5 GHBDHN CC[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001312432189 1052740922 /nfs/dbraw/zinc/74/09/22/1052740922.db2.gz CJNWVRMMOHCJSI-FQEVSTJZSA-N 0 3 388.512 3.953 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001320081929 1055644621 /nfs/dbraw/zinc/64/46/21/1055644621.db2.gz XWVSWYDBAPUHOC-LJQANCHMSA-N 0 3 375.856 3.858 20 5 GHBDHN C[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000848571840 1057187805 /nfs/dbraw/zinc/18/78/05/1057187805.db2.gz UPLWRKHWMRONAJ-OCCSQVGLSA-N 0 3 387.461 3.957 20 5 GHBDHN C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCC[C@H](C)C1 ZINC001441362152 1058765465 /nfs/dbraw/zinc/76/54/65/1058765465.db2.gz PXVWQMAWJMXHLT-VHSXEESVSA-N 0 3 392.258 3.891 20 5 GHBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC001442470346 1058965075 /nfs/dbraw/zinc/96/50/75/1058965075.db2.gz JBKZPVPCAKLZOB-UHFFFAOYSA-N 0 3 379.888 3.515 20 5 GHBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC001447434384 1059964449 /nfs/dbraw/zinc/96/44/49/1059964449.db2.gz SNEYCYSPASJGTF-GOSISDBHSA-N 0 3 382.464 3.941 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001450686395 1060654864 /nfs/dbraw/zinc/65/48/64/1060654864.db2.gz CPLCZKSDFVWOMT-CQSZACIVSA-N 0 3 383.782 3.559 20 5 GHBDHN CN1CCC(N(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC001350677195 1064162319 /nfs/dbraw/zinc/16/23/19/1064162319.db2.gz GTHQFMSVBTUWLZ-LEWJYISDSA-N 0 3 379.460 3.826 20 5 GHBDHN CCc1ccc(C(=O)N(CCCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC001464506011 1065052113 /nfs/dbraw/zinc/05/21/13/1065052113.db2.gz MCZICYQDFYDRIX-UHFFFAOYSA-N 0 3 383.492 3.794 20 5 GHBDHN C[C@@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC001300206346 1065693619 /nfs/dbraw/zinc/69/36/19/1065693619.db2.gz HPBSGXAHCBBZFS-JOCHJYFZSA-N 0 3 396.491 3.568 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001468275949 1067664137 /nfs/dbraw/zinc/66/41/37/1067664137.db2.gz LOFKOEGZALYVBP-ZHALLVOQSA-N 0 3 396.491 3.833 20 5 GHBDHN CC[C@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001469662338 1068292625 /nfs/dbraw/zinc/29/26/25/1068292625.db2.gz RRCJHJDFAZEARR-SFHVURJKSA-N 0 3 376.501 3.809 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC001470133599 1068589589 /nfs/dbraw/zinc/58/95/89/1068589589.db2.gz HRYHASRKVCYQOT-ZOBUZTSGSA-N 0 3 388.468 3.720 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](c1cccc(F)c1)N(C)C ZINC001472635597 1073588787 /nfs/dbraw/zinc/58/87/87/1073588787.db2.gz XMRLNHZHJMWTCD-MRXNPFEDSA-N 0 3 395.818 3.889 20 5 GHBDHN CC(C)OCCN1CCC(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001472721376 1073635349 /nfs/dbraw/zinc/63/53/49/1073635349.db2.gz GNHRKTYUHXQONF-UHFFFAOYSA-N 0 3 375.391 3.915 20 5 GHBDHN C[C@@H]1CN(CCCCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001472731136 1073640752 /nfs/dbraw/zinc/64/07/52/1073640752.db2.gz PWFQSUOWPDLGEJ-ZIAGYGMSSA-N 0 3 392.887 3.520 20 5 GHBDHN CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1Cc1ccccc1 ZINC001472780006 1073662265 /nfs/dbraw/zinc/66/22/65/1073662265.db2.gz OCZVSQWFNKKMNK-INIZCTEOSA-N 0 3 379.382 3.977 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CNC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC001473376234 1073939580 /nfs/dbraw/zinc/93/95/80/1073939580.db2.gz YENNWWIQFOPNJQ-UHFFFAOYSA-N 0 3 399.369 3.964 20 5 GHBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC001473542864 1074010803 /nfs/dbraw/zinc/01/08/03/1074010803.db2.gz RXLIVEGSUHPICR-AFAVFJNCSA-N 0 3 393.484 3.502 20 5 GHBDHN CCCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1F ZINC001473649303 1074066960 /nfs/dbraw/zinc/06/69/60/1074066960.db2.gz TYTKELYIUYPFDB-UHFFFAOYSA-N 0 3 389.427 3.983 20 5 GHBDHN COc1ccccc1C[C@](C)(CO)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001473749546 1074122193 /nfs/dbraw/zinc/12/21/93/1074122193.db2.gz AWRRWLBUBALKTN-GOSISDBHSA-N 0 3 398.381 3.706 20 5 GHBDHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1csc([N+](=O)[O-])c1 ZINC001473840349 1074168489 /nfs/dbraw/zinc/16/84/89/1074168489.db2.gz VZKRDGUUTAUYII-OAHLLOKOSA-N 0 3 385.283 3.502 20 5 GHBDHN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824545503 607816871 /nfs/dbraw/zinc/81/68/71/607816871.db2.gz CUJYZCCSNMRIBJ-UCLAIMLFSA-N 0 3 392.463 3.837 20 5 GHBDHN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824545503 607816872 /nfs/dbraw/zinc/81/68/72/607816872.db2.gz CUJYZCCSNMRIBJ-UCLAIMLFSA-N 0 3 392.463 3.837 20 5 GHBDHN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000176760739 837734981 /nfs/dbraw/zinc/73/49/81/837734981.db2.gz OIRIVHMAOMZCNF-UHFFFAOYSA-N 0 3 391.855 3.992 20 5 GHBDHN O=C(NCc1ccco1)c1cccc(CNC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000238041727 837779283 /nfs/dbraw/zinc/77/92/83/837779283.db2.gz OJGWFESQYPBXPM-RUDMXATFSA-N 0 3 391.427 3.921 20 5 GHBDHN C[C@H](O)[C@](C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000480478987 834859495 /nfs/dbraw/zinc/85/94/95/834859495.db2.gz SRPBOBWEIFHRAA-XOBRGWDASA-N 0 3 394.418 3.916 20 5 GHBDHN CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000512541288 844103510 /nfs/dbraw/zinc/10/35/10/844103510.db2.gz DZIOUEJGFCYERM-MRXNPFEDSA-N 0 3 385.464 3.983 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000062368791 836128638 /nfs/dbraw/zinc/12/86/38/836128638.db2.gz QRWPTZHDJZBSBL-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC000134875919 836160867 /nfs/dbraw/zinc/16/08/67/836160867.db2.gz JKUKQUDSRCPXHX-GDBMZVCRSA-N 0 3 385.489 3.710 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)c(Br)c1 ZINC000102419583 838122242 /nfs/dbraw/zinc/12/22/42/838122242.db2.gz JWHHTJKELRUWBG-LBPRGKRZSA-N 0 3 381.226 3.886 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c(C)c2)CC1 ZINC000025185314 844300946 /nfs/dbraw/zinc/30/09/46/844300946.db2.gz AMFGLPLEKJDKQA-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN O=C(CN[C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000378511121 839253760 /nfs/dbraw/zinc/25/37/60/839253760.db2.gz JCKIDDAIFWEHJQ-KUHUBIRLSA-N 0 3 389.839 3.554 20 5 GHBDHN CN(Cc1ccccc1)CC(C)(C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000118993528 839287162 /nfs/dbraw/zinc/28/71/62/839287162.db2.gz OYSSNTGXCXFRAP-UHFFFAOYSA-N 0 3 395.463 3.645 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)n1 ZINC000894080802 844483948 /nfs/dbraw/zinc/48/39/48/844483948.db2.gz YTAXIRQWFAXLPP-UHFFFAOYSA-N 0 3 379.420 3.816 20 5 GHBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610451590 840023817 /nfs/dbraw/zinc/02/38/17/840023817.db2.gz USYHYEXGNZFPTI-ZWKOTPCHSA-N 0 3 396.491 3.518 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000046987020 840109552 /nfs/dbraw/zinc/10/95/52/840109552.db2.gz GJVVXIFFENNSCZ-UHFFFAOYSA-N 0 3 396.491 3.573 20 5 GHBDHN COc1cc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000417335949 840739080 /nfs/dbraw/zinc/73/90/80/840739080.db2.gz HDPODCUAGNYMSM-IBGZPJMESA-N 0 3 386.448 3.532 20 5 GHBDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000126428638 841056499 /nfs/dbraw/zinc/05/64/99/841056499.db2.gz KYXAMRUXXLQPFE-HOTGVXAUSA-N 0 3 382.464 3.873 20 5 GHBDHN Cc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000106878797 841127840 /nfs/dbraw/zinc/12/78/40/841127840.db2.gz WCMNEXAPTPKIGD-ZDUSSCGKSA-N 0 3 376.482 3.998 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000603839391 861231797 /nfs/dbraw/zinc/23/17/97/861231797.db2.gz XUYKOQJQIARPBG-UHFFFAOYSA-N 0 3 382.464 3.951 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000512140393 842622395 /nfs/dbraw/zinc/62/23/95/842622395.db2.gz WHGJFGXJLIFVSN-CQSZACIVSA-N 0 3 377.510 3.723 20 5 GHBDHN COc1ccc([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000599598959 861348146 /nfs/dbraw/zinc/34/81/46/861348146.db2.gz CKARORIJXGGUOT-AWEZNQCLSA-N 0 3 387.436 3.600 20 5 GHBDHN CN(C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000549618335 843732701 /nfs/dbraw/zinc/73/27/01/843732701.db2.gz ZNDBDUAUKADJKQ-QGZVFWFLSA-N 0 3 396.274 3.863 20 5 GHBDHN CC1(C)C[C@H](NCCNC(=O)c2c(F)cccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000433291072 843979476 /nfs/dbraw/zinc/97/94/76/843979476.db2.gz YJUOGHADDDOOFB-KRWDZBQOSA-N 0 3 389.402 3.615 20 5 GHBDHN CC[C@@H](C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000236961910 844982159 /nfs/dbraw/zinc/98/21/59/844982159.db2.gz XAVCZPJRSWRVGA-GOSISDBHSA-N 0 3 387.505 3.931 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]2(O)CCCc3ccccc32)c1 ZINC000731360942 861588542 /nfs/dbraw/zinc/58/85/42/861588542.db2.gz QRSOTVVPZRCZSI-LJQANCHMSA-N 0 3 378.375 3.510 20 5 GHBDHN Cc1c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000539069139 845818498 /nfs/dbraw/zinc/81/84/98/845818498.db2.gz PIZXCRCGGBDEJB-CQSZACIVSA-N 0 3 384.411 3.958 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc(OC)c(OC)c1Cl ZINC000582016468 845929291 /nfs/dbraw/zinc/92/92/91/845929291.db2.gz ZORCURASNHNCAR-UHFFFAOYSA-N 0 3 394.855 3.996 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000501134721 846676951 /nfs/dbraw/zinc/67/69/51/846676951.db2.gz NQIAHCKVSLLITB-INIZCTEOSA-N 0 3 392.481 3.870 20 5 GHBDHN O=C(NC[C@@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001167561939 846811351 /nfs/dbraw/zinc/81/13/51/846811351.db2.gz CHYYQNZGARRETN-FQEVSTJZSA-N 0 3 397.475 3.648 20 5 GHBDHN Cc1cnc(C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC000277555223 846933429 /nfs/dbraw/zinc/93/34/29/846933429.db2.gz WPYFLBLAVJVTHB-UHFFFAOYSA-N 0 3 388.493 3.876 20 5 GHBDHN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000502169410 847550567 /nfs/dbraw/zinc/55/05/67/847550567.db2.gz HNEOTJHVNMPNJU-SCLBCKFNSA-N 0 3 390.871 3.739 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000502184225 847574514 /nfs/dbraw/zinc/57/45/14/847574514.db2.gz DZSGTFYERKAWJQ-MLGOLLRUSA-N 0 3 394.859 3.770 20 5 GHBDHN C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1Cc1ccccc1 ZINC000611713205 848216685 /nfs/dbraw/zinc/21/66/85/848216685.db2.gz ZXRHDVBGECAKQX-HOTGVXAUSA-N 0 3 377.448 3.637 20 5 GHBDHN COc1ccc(NC(=O)N2CCCN(Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000611826386 848264227 /nfs/dbraw/zinc/26/42/27/848264227.db2.gz SLDVWHAYVKICAL-UHFFFAOYSA-N 0 3 398.463 3.652 20 5 GHBDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000612485980 848633265 /nfs/dbraw/zinc/63/32/65/848633265.db2.gz OMZOHGAITDMFJO-DLBZAZTESA-N 0 3 399.466 3.960 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000061503323 862057654 /nfs/dbraw/zinc/05/76/54/862057654.db2.gz AXBSBZBKYRKPAV-HXUWFJFHSA-N 0 3 399.516 3.949 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514820601 850325232 /nfs/dbraw/zinc/32/52/32/850325232.db2.gz SFSPICBTTQIYOD-PKOBYXMFSA-N 0 3 393.846 3.931 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000487569250 850734425 /nfs/dbraw/zinc/73/44/25/850734425.db2.gz ZEFBVYKQTDGYQI-UHFFFAOYSA-N 0 3 380.448 3.589 20 5 GHBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426562008 850748144 /nfs/dbraw/zinc/74/81/44/850748144.db2.gz PXCYWKCEWAFSJZ-MRXNPFEDSA-N 0 3 385.464 3.540 20 5 GHBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000436155656 851269405 /nfs/dbraw/zinc/26/94/05/851269405.db2.gz SHQUPAXYBQUUPC-MRXNPFEDSA-N 0 3 391.515 3.922 20 5 GHBDHN CC[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)N1CCc2ccccc2C1 ZINC000514226813 851423529 /nfs/dbraw/zinc/42/35/29/851423529.db2.gz LTLZMCHENVXPIM-GOSISDBHSA-N 0 3 382.464 3.862 20 5 GHBDHN COc1cccc([C@@H](O)CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 ZINC000111393730 852103044 /nfs/dbraw/zinc/10/30/44/852103044.db2.gz ODEHKTCCGJLAAZ-FQEVSTJZSA-N 0 3 398.415 3.695 20 5 GHBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)C1 ZINC000293842794 852723204 /nfs/dbraw/zinc/72/32/04/852723204.db2.gz CQQBHBNTUWDXKY-HSZRJFAPSA-N 0 3 375.472 3.652 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000509585697 853016475 /nfs/dbraw/zinc/01/64/75/853016475.db2.gz OGAYURPCGYRRSA-CRAIPNDOSA-N 0 3 388.468 3.501 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000054698823 853054854 /nfs/dbraw/zinc/05/48/54/853054854.db2.gz ZDFITTIDRHQEMD-BXWFABGCSA-N 0 3 382.464 3.791 20 5 GHBDHN COc1cc(CNCCc2ccc(C)o2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000518265870 853136865 /nfs/dbraw/zinc/13/68/65/853136865.db2.gz ISASXSQHFRHEBF-UHFFFAOYSA-N 0 3 388.342 3.778 20 5 GHBDHN C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000437463428 853163635 /nfs/dbraw/zinc/16/36/35/853163635.db2.gz SJFZNKGAWAFFHD-GOSISDBHSA-N 0 3 396.491 3.520 20 5 GHBDHN COC[C@]1(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000519720244 853404977 /nfs/dbraw/zinc/40/49/77/853404977.db2.gz FGKBCXORLHQPLG-QFIPXVFZSA-N 0 3 384.476 3.922 20 5 GHBDHN CCOc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248375362 854713347 /nfs/dbraw/zinc/71/33/47/854713347.db2.gz WQBVLAZMSAUXDH-MJGOQNOKSA-N 0 3 386.448 3.570 20 5 GHBDHN COc1cc(CNC[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000273530976 855640263 /nfs/dbraw/zinc/64/02/63/855640263.db2.gz VCBIJWBAWGJNBT-JTQLQIEISA-N 0 3 387.408 3.597 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001126994058 856057070 /nfs/dbraw/zinc/05/70/70/856057070.db2.gz KDZIYTWRQNTFCE-UHFFFAOYSA-N 0 3 393.871 3.673 20 5 GHBDHN Cc1c(CNCc2cccc(I)c2)cccc1[N+](=O)[O-] ZINC000383507106 856075547 /nfs/dbraw/zinc/07/55/47/856075547.db2.gz CMDZLVHFMQYCQD-UHFFFAOYSA-N 0 3 382.201 3.798 20 5 GHBDHN COC(=O)/C=C/c1ccc(NC[C@@H](c2cccc(OC)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000029070501 856332774 /nfs/dbraw/zinc/33/27/74/856332774.db2.gz BIDSVZXCIPDZDU-BQYDLMEBSA-N 0 3 399.447 3.504 20 5 GHBDHN CN1C(=O)C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000507847284 856557015 /nfs/dbraw/zinc/55/70/15/856557015.db2.gz MFDWQAVGUYSEQV-MQBKADHPSA-N 0 3 385.851 3.823 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000245458945 856874816 /nfs/dbraw/zinc/87/48/16/856874816.db2.gz VCCCLWIBFXAYHX-RHSMWYFYSA-N 0 3 387.436 3.998 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173350514 856877818 /nfs/dbraw/zinc/87/78/18/856877818.db2.gz NFEIDICUDFFUKA-WBMJQRKESA-N 0 3 384.354 3.704 20 5 GHBDHN CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000132184485 857835904 /nfs/dbraw/zinc/83/59/04/857835904.db2.gz RJCABXQADCMTPH-FQEVSTJZSA-N 0 3 378.432 3.668 20 5 GHBDHN C[C@@H](C(=O)N(CCCc1ccccc1)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000574617313 858117830 /nfs/dbraw/zinc/11/78/30/858117830.db2.gz FXIGVNQVMOYJDE-GOSISDBHSA-N 0 3 383.492 3.721 20 5 GHBDHN COC[C@H](CC1CCOCC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595039205 858376313 /nfs/dbraw/zinc/37/63/13/858376313.db2.gz DKBXZVYIRFZUQY-HNNXBMFYSA-N 0 3 376.375 3.535 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000595050996 858380203 /nfs/dbraw/zinc/38/02/03/858380203.db2.gz WINCQXUOHHZZOK-YLJYHZDGSA-N 0 3 399.491 3.545 20 5 GHBDHN COc1ccc(-c2cc(CN[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)on2)cc1 ZINC000595077793 858412330 /nfs/dbraw/zinc/41/23/30/858412330.db2.gz XDMFYZZIBSQVKR-HKUYNNGSSA-N 0 3 397.435 3.728 20 5 GHBDHN COc1cccc([C@H]2[C@H](NCc3ccc(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000595475939 858541810 /nfs/dbraw/zinc/54/18/10/858541810.db2.gz KWAMSLBBFOAZJS-CTNGQTDRSA-N 0 3 385.439 3.810 20 5 GHBDHN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000596349555 858850144 /nfs/dbraw/zinc/85/01/44/858850144.db2.gz JVALORLPWPGRII-NEPJUHHUSA-N 0 3 397.353 3.629 20 5 GHBDHN CCN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCN(C)C1 ZINC000596748925 859042940 /nfs/dbraw/zinc/04/29/40/859042940.db2.gz PNNGBHOVURJXLH-QGZVFWFLSA-N 0 3 384.436 3.945 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@H](Oc3cccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170355654 881398576 /nfs/dbraw/zinc/39/85/76/881398576.db2.gz NZFUFWQDEPHELR-LPHOPBHVSA-N 0 3 385.464 3.781 20 5 GHBDHN COCc1cc([N+](=O)[O-])ccc1NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000474143115 859255720 /nfs/dbraw/zinc/25/57/20/859255720.db2.gz RYPGYGVECLZUIS-QFIPXVFZSA-N 0 3 398.507 3.532 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474352761 859906529 /nfs/dbraw/zinc/90/65/29/859906529.db2.gz GCOHXYNBYRBDFA-OAQYLSRUSA-N 0 3 384.432 3.778 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H](c2ccccc2C)C(C)C)cc1[N+](=O)[O-] ZINC000474351967 859908712 /nfs/dbraw/zinc/90/87/12/859908712.db2.gz SKQPUXDQAFPHAU-OAQYLSRUSA-N 0 3 386.448 3.942 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000131313670 859944339 /nfs/dbraw/zinc/94/43/39/859944339.db2.gz BHANITUILBYYFZ-INIZCTEOSA-N 0 3 377.510 3.653 20 5 GHBDHN COc1ccc(C[C@H](C)N2CC[C@@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351236 881486446 /nfs/dbraw/zinc/48/64/46/881486446.db2.gz BQEXBIBMTIEIHJ-GJZGRUSLSA-N 0 3 378.469 3.588 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000484487945 860029838 /nfs/dbraw/zinc/02/98/38/860029838.db2.gz NLOCECXPMZGGRG-QGZVFWFLSA-N 0 3 390.415 3.557 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000484538587 860096232 /nfs/dbraw/zinc/09/62/32/860096232.db2.gz XFYRTKAJLOYLES-OAHLLOKOSA-N 0 3 379.526 3.947 20 5 GHBDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000484656768 860230889 /nfs/dbraw/zinc/23/08/89/860230889.db2.gz URYJPLKYAPCZGI-YLJYHZDGSA-N 0 3 383.448 3.822 20 5 GHBDHN CN(C)Cc1cccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000552395935 860522725 /nfs/dbraw/zinc/52/27/25/860522725.db2.gz WMWQHPBDFXEUCM-UHFFFAOYSA-N 0 3 378.226 3.671 20 5 GHBDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000599019744 860743175 /nfs/dbraw/zinc/74/31/75/860743175.db2.gz FDOKZBFFIQTFOP-WMLDXEAASA-N 0 3 386.433 3.635 20 5 GHBDHN O=C(NC[C@@H]1CCN1C1CCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599204149 860917850 /nfs/dbraw/zinc/91/78/50/860917850.db2.gz SSJJVSAGPYJXTM-XLIONFOSSA-N 0 3 386.496 3.501 20 5 GHBDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCN1C ZINC000444086642 863358000 /nfs/dbraw/zinc/35/80/00/863358000.db2.gz JMEHWPJCRCFZFH-GXTWGEPZSA-N 0 3 399.441 3.514 20 5 GHBDHN Cc1c(NC(=O)CCN2C[C@@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594058907 863941056 /nfs/dbraw/zinc/94/10/56/863941056.db2.gz ULDGPWDOZSXMRY-OAHLLOKOSA-N 0 3 375.469 3.655 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@H](c3cc(C)cc(C)c3)C2)cc1[N+](=O)[O-] ZINC000475091976 864143125 /nfs/dbraw/zinc/14/31/25/864143125.db2.gz KWEQAGUGEQDRHT-SFHVURJKSA-N 0 3 398.459 3.753 20 5 GHBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000475109419 864188395 /nfs/dbraw/zinc/18/83/95/864188395.db2.gz QUXGOJZCFSWFIJ-FUHWJXTLSA-N 0 3 397.475 3.901 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000554641608 864645971 /nfs/dbraw/zinc/64/59/71/864645971.db2.gz LNFGVBLNOBXONT-ZNLUXHQJSA-N 0 3 395.503 3.943 20 5 GHBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444334326 864665449 /nfs/dbraw/zinc/66/54/49/864665449.db2.gz GNJPXSCPVXQMPZ-OAHLLOKOSA-N 0 3 395.478 3.815 20 5 GHBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792932592 881822987 /nfs/dbraw/zinc/82/29/87/881822987.db2.gz FGGFVIBGOYPIIG-DYVFJYSZSA-N 0 3 376.840 3.758 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000554848180 865036654 /nfs/dbraw/zinc/03/66/54/865036654.db2.gz IXKPUYRNGUKQMI-UHFFFAOYSA-N 0 3 381.476 3.895 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000554961363 865220135 /nfs/dbraw/zinc/22/01/35/865220135.db2.gz JPWNNNGXMAKXBC-GOSISDBHSA-N 0 3 397.475 3.730 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594197512 865338201 /nfs/dbraw/zinc/33/82/01/865338201.db2.gz OWBYDAMUASLMOL-IRXDYDNUSA-N 0 3 377.510 3.844 20 5 GHBDHN COc1cc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000609017557 865893097 /nfs/dbraw/zinc/89/30/97/865893097.db2.gz DAOHRWWJCLEMQS-SFHVURJKSA-N 0 3 383.448 3.560 20 5 GHBDHN COC(=O)COc1ccc(CN(C)[C@H](C)c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000475580346 866398116 /nfs/dbraw/zinc/39/81/16/866398116.db2.gz YHYHTFGSTGXBHL-MRXNPFEDSA-N 0 3 386.448 3.956 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccsc1 ZINC000444892510 867447532 /nfs/dbraw/zinc/44/75/32/867447532.db2.gz BACVRFXHXFLYCH-INIZCTEOSA-N 0 3 392.481 3.870 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000444924388 867470886 /nfs/dbraw/zinc/47/08/86/867470886.db2.gz RUQDMESEFOOTDM-SFHVURJKSA-N 0 3 384.436 3.562 20 5 GHBDHN CC(C)(C)OC(=O)N1CC=C(CCNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000793330973 882107574 /nfs/dbraw/zinc/10/75/74/882107574.db2.gz QOEFBYZYWSGHAC-UHFFFAOYSA-N 0 3 379.432 3.781 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1 ZINC000479987837 868836239 /nfs/dbraw/zinc/83/62/39/868836239.db2.gz SEGXKBMRPGRGGV-UHFFFAOYSA-N 0 3 398.360 3.906 20 5 GHBDHN C[C@@H]1CN(CCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000491262453 869276726 /nfs/dbraw/zinc/27/67/26/869276726.db2.gz YRMWXGOAUXQXDA-JBYIUTFZSA-N 0 3 383.492 3.773 20 5 GHBDHN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000441073510 870154160 /nfs/dbraw/zinc/15/41/60/870154160.db2.gz SGHAGORZAYEYNH-JTSKRJEESA-N 0 3 376.460 3.870 20 5 GHBDHN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746358070 870541713 /nfs/dbraw/zinc/54/17/13/870541713.db2.gz YSERYCNQOLTTLX-SZRHCGQDSA-N 0 3 379.460 3.731 20 5 GHBDHN CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000525408857 870642103 /nfs/dbraw/zinc/64/21/03/870642103.db2.gz PYDKBALMZVKGMQ-KBAYOESNSA-N 0 3 386.452 3.670 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765312 870843600 /nfs/dbraw/zinc/84/36/00/870843600.db2.gz PWSJLVRIJXIDDJ-UWJYYQICSA-N 0 3 383.492 3.971 20 5 GHBDHN COCC[C@@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCOC1 ZINC000447079671 870960775 /nfs/dbraw/zinc/96/07/75/870960775.db2.gz QMCSEVHFUJPNLM-GOSISDBHSA-N 0 3 380.828 3.793 20 5 GHBDHN Cc1cc(NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181534547 871157210 /nfs/dbraw/zinc/15/72/10/871157210.db2.gz SHXFKUGALYSGPZ-KRWDZBQOSA-N 0 3 390.443 3.912 20 5 GHBDHN C[C@@H](N)c1ccn(-c2nc3ccsc3c(Oc3cccc([N+](=O)[O-])c3)n2)n1 ZINC001169228104 871319061 /nfs/dbraw/zinc/31/90/61/871319061.db2.gz MSLUGNLKMOTGQF-SNVBAGLBSA-N 0 3 382.405 3.597 20 5 GHBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525779239 871423514 /nfs/dbraw/zinc/42/35/14/871423514.db2.gz QJIMUFSKVZQFLF-HNNXBMFYSA-N 0 3 387.402 3.608 20 5 GHBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2)c1 ZINC000181877248 871577173 /nfs/dbraw/zinc/57/71/73/871577173.db2.gz BXIOLSXOKIYKLN-MRXNPFEDSA-N 0 3 382.464 3.509 20 5 GHBDHN O=C(c1ccccc1[O-])N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447537726 871803426 /nfs/dbraw/zinc/80/34/26/871803426.db2.gz YEFBJCVRMIJVOO-HXUWFJFHSA-N 0 3 395.459 3.572 20 5 GHBDHN O=[N+]([O-])c1ccc(CCN[C@H](CCO)c2ccccc2Br)cc1 ZINC000541024493 872742115 /nfs/dbraw/zinc/74/21/15/872742115.db2.gz OOLGSOUHHRRHAS-QGZVFWFLSA-N 0 3 379.254 3.613 20 5 GHBDHN CC(C)C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000541326332 873374652 /nfs/dbraw/zinc/37/46/52/873374652.db2.gz BRVIFKHJLNQGRR-LJQANCHMSA-N 0 3 376.478 3.746 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000769228252 873906464 /nfs/dbraw/zinc/90/64/64/873906464.db2.gz MSVRCTWDNLVOIZ-FQEVSTJZSA-N 0 3 376.403 3.861 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(CCOCCOc3ccccc3)CC2)cc1 ZINC000464771345 874433638 /nfs/dbraw/zinc/43/36/38/874433638.db2.gz DFHHXILZFJNICZ-UHFFFAOYSA-N 0 3 386.448 3.534 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000549936137 875985760 /nfs/dbraw/zinc/98/57/60/875985760.db2.gz FWYGXUKJWKQZAH-UTCJRWHESA-N 0 3 394.880 3.715 20 5 GHBDHN COc1cc(Br)ccc1[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787346691 877366178 /nfs/dbraw/zinc/36/61/78/877366178.db2.gz WQGZUVNCYPPFOH-ZBEGNZNMSA-N 0 3 395.253 3.750 20 5 GHBDHN COC[C@H](CCO)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000610090153 877386478 /nfs/dbraw/zinc/38/64/78/877386478.db2.gz PVPPCVYMAXNDMS-INIZCTEOSA-N 0 3 376.478 3.541 20 5 GHBDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cccc([N+](=O)[O-])c2Br)cn1 ZINC000852562020 878425923 /nfs/dbraw/zinc/42/59/23/878425923.db2.gz ZFADQNAWMUOQLN-ZFWWWQNUSA-N 0 3 393.285 3.592 20 5 GHBDHN COc1cc(CNCC2(O)CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000111385277 879081351 /nfs/dbraw/zinc/08/13/51/879081351.db2.gz FWUYIUZQZJVDNH-UHFFFAOYSA-N 0 3 386.448 3.577 20 5 GHBDHN CCOc1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000493910005 879709174 /nfs/dbraw/zinc/70/91/74/879709174.db2.gz YCSKVUIJLSVGDP-APWZRJJASA-N 0 3 378.375 3.892 20 5 GHBDHN CC(C)CN(Cc1ccccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000520172646 880013499 /nfs/dbraw/zinc/01/34/99/880013499.db2.gz SFSURTKXYAJTLN-SFHVURJKSA-N 0 3 376.428 3.632 20 5 GHBDHN CCOc1ccc([C@H](C)N2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453289588 880730337 /nfs/dbraw/zinc/73/03/37/880730337.db2.gz TYNDQIDKBNPHBX-LSDHHAIUSA-N 0 3 377.485 3.668 20 5 GHBDHN CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000520365537 881082434 /nfs/dbraw/zinc/08/24/34/881082434.db2.gz RQCFMTDEZAGMPI-IBGZPJMESA-N 0 3 394.475 3.516 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(n2cc(Br)cn2)CC1 ZINC000537626997 881328410 /nfs/dbraw/zinc/32/84/10/881328410.db2.gz MUFHPRZDTUCCPG-HYXAFXHYSA-N 0 3 391.269 3.904 20 5 GHBDHN C[C@@H](NCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000551310639 883666730 /nfs/dbraw/zinc/66/67/30/883666730.db2.gz KVUJMZKUCSKNMC-CYBMUJFWSA-N 0 3 382.869 3.763 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000609792431 883687037 /nfs/dbraw/zinc/68/70/37/883687037.db2.gz NVOAFYATWGVZSD-QGZVFWFLSA-N 0 3 387.867 3.572 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000194685153 884028678 /nfs/dbraw/zinc/02/86/78/884028678.db2.gz DDWRLVXVWWUNHJ-NRFANRHFSA-N 0 3 396.491 3.882 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000194734680 884328714 /nfs/dbraw/zinc/32/87/14/884328714.db2.gz MAHYTQGADYHCDA-WBVHZDCISA-N 0 3 395.459 3.529 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000536505561 884429474 /nfs/dbraw/zinc/42/94/74/884429474.db2.gz IWHTZQOMZGIFAG-UHFFFAOYSA-N 0 3 380.448 3.589 20 5 GHBDHN Cc1ccccc1CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000556435728 884913522 /nfs/dbraw/zinc/91/35/22/884913522.db2.gz REFUVQXTYCRORF-UHFFFAOYSA-N 0 3 377.444 3.767 20 5 GHBDHN COc1ccc(CN2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)cc1 ZINC000487940236 886254377 /nfs/dbraw/zinc/25/43/77/886254377.db2.gz GAIROJVEWXTFNA-UHFFFAOYSA-N 0 3 392.459 3.864 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N(C)C)cc1 ZINC000487975893 886722840 /nfs/dbraw/zinc/72/28/40/886722840.db2.gz GAQCIYLBSSTULN-OAQYLSRUSA-N 0 3 396.491 3.880 20 5 GHBDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000487976352 886724467 /nfs/dbraw/zinc/72/44/67/886724467.db2.gz DLYNUQHGEMLVSL-KRWDZBQOSA-N 0 3 396.491 3.536 20 5 GHBDHN CC(C)(C)OC(=O)NC1CC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000809655834 887664715 /nfs/dbraw/zinc/66/47/15/887664715.db2.gz QVJUDLCCQQPSMW-UHFFFAOYSA-N 0 3 389.374 3.759 20 5 GHBDHN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809722600 887747493 /nfs/dbraw/zinc/74/74/93/887747493.db2.gz CXMIKSKVGACLPR-GFCCVEGCSA-N 0 3 393.793 3.671 20 5 GHBDHN C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809770308 887758714 /nfs/dbraw/zinc/75/87/14/887758714.db2.gz VYNCZRSRAKKLHD-MGPUTAFESA-N 0 3 390.867 3.790 20 5 GHBDHN C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)N(C)Cc1ccccc1 ZINC000809919256 888002428 /nfs/dbraw/zinc/00/24/28/888002428.db2.gz ZAMAZBOWZSVQSH-ZDUSSCGKSA-N 0 3 376.844 3.890 20 5 GHBDHN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000153844446 888724405 /nfs/dbraw/zinc/72/44/05/888724405.db2.gz UGMGZJSRSLGGOS-UHFFFAOYSA-N 0 3 389.477 3.523 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000465521181 888809158 /nfs/dbraw/zinc/80/91/58/888809158.db2.gz ARWDSIDVVDXPDP-SFHVURJKSA-N 0 3 390.509 3.581 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000533046770 889609915 /nfs/dbraw/zinc/60/99/15/889609915.db2.gz CEBSZGPMKZMTRD-UHFFFAOYSA-N 0 3 393.447 3.638 20 5 GHBDHN O=[N+]([O-])c1cccc2c1ccnc2NCCCN1CCN(c2ccccc2)CC1 ZINC001184802898 913414618 /nfs/dbraw/zinc/41/46/18/913414618.db2.gz OYDVABQRMUHJOW-UHFFFAOYSA-N 0 3 391.475 3.767 20 5 GHBDHN Cc1c(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000795098139 890174768 /nfs/dbraw/zinc/17/47/68/890174768.db2.gz CHIVJVKZEAYVJW-FUHWJXTLSA-N 0 3 375.469 3.735 20 5 GHBDHN COc1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000455108575 890360343 /nfs/dbraw/zinc/36/03/43/890360343.db2.gz UQYDKECFENCMGW-MRXNPFEDSA-N 0 3 398.463 3.589 20 5 GHBDHN CC(C)c1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000813110206 891304300 /nfs/dbraw/zinc/30/43/00/891304300.db2.gz UROREMPICFVFBR-VIFPVBQESA-N 0 3 387.223 3.520 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814172431 892323706 /nfs/dbraw/zinc/32/37/06/892323706.db2.gz NEOOIQWETZOYAE-STQMWFEESA-N 0 3 387.839 3.685 20 5 GHBDHN Cc1cc(Cl)c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000825797452 892644942 /nfs/dbraw/zinc/64/49/42/892644942.db2.gz WYALRAJPROVPIY-CQSZACIVSA-N 0 3 375.856 3.807 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000536831165 893940165 /nfs/dbraw/zinc/94/01/65/893940165.db2.gz GCXAHQOMRXIYFR-QZTJIDSGSA-N 0 3 399.516 3.856 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC3(CO)CCSCC3)o2)c(Cl)c1 ZINC000459730841 894120413 /nfs/dbraw/zinc/12/04/13/894120413.db2.gz QGYFRDCVLZFGNI-UHFFFAOYSA-N 0 3 382.869 3.856 20 5 GHBDHN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000880099636 895512842 /nfs/dbraw/zinc/51/28/42/895512842.db2.gz SSXRZYSQQVFDGF-LLVKDONJSA-N 0 3 382.342 3.688 20 5 GHBDHN COc1ccc(CN2CCCN(c3cc(OC)c(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000820616118 897413247 /nfs/dbraw/zinc/41/32/47/897413247.db2.gz JQWWXBWLWDJMHX-UHFFFAOYSA-N 0 3 385.464 3.633 20 5 GHBDHN O=C1NCCN1c1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000883287329 897447657 /nfs/dbraw/zinc/44/76/57/897447657.db2.gz ROSZNNXWBQGEQA-HXUWFJFHSA-N 0 3 380.448 3.682 20 5 GHBDHN CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000569171241 898388544 /nfs/dbraw/zinc/38/85/44/898388544.db2.gz NQVYEFFLOAWNMT-HTAPYJJXSA-N 0 3 395.503 3.897 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000569450285 898677500 /nfs/dbraw/zinc/67/75/00/898677500.db2.gz XXMQYJUSFDMURK-WCQYABFASA-N 0 3 382.869 3.717 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000843860154 900257846 /nfs/dbraw/zinc/25/78/46/900257846.db2.gz XCGACVMKKCDXHA-NRFANRHFSA-N 0 3 385.439 3.827 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001144213993 901269383 /nfs/dbraw/zinc/26/93/83/901269383.db2.gz MQKLEBTZFHCLFT-UHFFFAOYSA-N 0 3 375.856 3.559 20 5 GHBDHN CCCN(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000576536968 902081404 /nfs/dbraw/zinc/08/14/04/902081404.db2.gz KXJWDDPPTVWVQU-IBGZPJMESA-N 0 3 389.883 3.990 20 5 GHBDHN Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873778 902475053 /nfs/dbraw/zinc/47/50/53/902475053.db2.gz VYFJBTHMLZWFLX-FOIQADDNSA-N 0 3 391.443 3.787 20 5 GHBDHN CC([C@@H](OC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874443 902476650 /nfs/dbraw/zinc/47/66/50/902476650.db2.gz IPUHDYBYRALGJE-BFUOFWGJSA-N 0 3 386.379 3.516 20 5 GHBDHN COc1ccc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1F ZINC000845874606 902476767 /nfs/dbraw/zinc/47/67/67/902476767.db2.gz IUZQIGOQZUAWIL-HXPMCKFVSA-N 0 3 379.359 3.856 20 5 GHBDHN COc1ccc(C(C)=O)cc1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873920 902477975 /nfs/dbraw/zinc/47/79/75/902477975.db2.gz XQLPWWCISJQPFK-YUNKPMOVSA-N 0 3 389.379 3.529 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845876703 902480731 /nfs/dbraw/zinc/48/07/31/902480731.db2.gz OAHJGOKIVMYRFT-IOASZLSFSA-N 0 3 398.431 3.578 20 5 GHBDHN CC(C)NC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845880616 902483852 /nfs/dbraw/zinc/48/38/52/902483852.db2.gz XBUIDCJOAWDVDJ-SCLBCKFNSA-N 0 3 388.395 3.527 20 5 GHBDHN COc1cccc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1F ZINC000845879986 902485203 /nfs/dbraw/zinc/48/52/03/902485203.db2.gz JOCRXOKRJVMXJT-HXPMCKFVSA-N 0 3 379.359 3.856 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)Cn1ncc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845883484 902486839 /nfs/dbraw/zinc/48/68/39/902486839.db2.gz TXSCYBZLCXGETF-BIENJYKASA-N 0 3 385.395 3.761 20 5 GHBDHN CC([C@@H](OC(=O)COCc1cccc(Cl)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845882945 902488177 /nfs/dbraw/zinc/48/81/77/902488177.db2.gz XGKRJZXFCCVYGG-KZULUSFZSA-N 0 3 381.787 3.945 20 5 GHBDHN Cc1c(CC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000128339838 902646753 /nfs/dbraw/zinc/64/67/53/902646753.db2.gz CGBIWQVKFKWFLK-UHFFFAOYSA-N 0 3 381.476 3.569 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000847061912 903439549 /nfs/dbraw/zinc/43/95/49/903439549.db2.gz FCOPDXLUPSVHHC-INIZCTEOSA-N 0 3 382.338 3.806 20 5 GHBDHN O=C1[C@@H](N[C@@H](c2ccc(F)cc2)C2CCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303387155 914727859 /nfs/dbraw/zinc/72/78/59/914727859.db2.gz MUJDWVSCODBVRE-VQTJNVASSA-N 0 3 383.423 3.970 20 5 GHBDHN CCOc1ccc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000772980007 903730489 /nfs/dbraw/zinc/73/04/89/903730489.db2.gz KBOSQDYZDFCHCX-CYBMUJFWSA-N 0 3 375.381 3.631 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000152444636 904268239 /nfs/dbraw/zinc/26/82/39/904268239.db2.gz VTETYIHSQKBSPD-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(CCOc3ccccc3)CC1)CC2 ZINC001172911012 906018715 /nfs/dbraw/zinc/01/87/15/906018715.db2.gz QIVNEAUPBBLYAJ-NRFANRHFSA-N 0 3 395.503 3.539 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](c2ccc(F)cn2)C2CC2)c1F ZINC001173182347 906262406 /nfs/dbraw/zinc/26/24/06/906262406.db2.gz SCEFOMZXAPQKIR-WYRIXSBYSA-N 0 3 377.391 3.949 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1F ZINC001173191974 906276084 /nfs/dbraw/zinc/27/60/84/906276084.db2.gz GVDZRHZMJPNJJO-GVDBMIGSSA-N 0 3 399.466 3.742 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001173223569 906303639 /nfs/dbraw/zinc/30/36/39/906303639.db2.gz AYRPZNBMFGFXFH-MGPUTAFESA-N 0 3 377.485 3.905 20 5 GHBDHN COc1cc(CN2CCC[C@@]2(CO)CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000191651520 907118593 /nfs/dbraw/zinc/11/85/93/907118593.db2.gz GZTRBXQINPMYIP-SFHVURJKSA-N 0 3 388.411 3.578 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182302884 907179392 /nfs/dbraw/zinc/17/93/92/907179392.db2.gz KKXUBFAYHJRFKY-UHFFFAOYSA-N 0 3 379.363 3.819 20 5 GHBDHN CN(C[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001175775614 907738775 /nfs/dbraw/zinc/73/87/75/907738775.db2.gz SPEXSOZGNMBLFD-GOSISDBHSA-N 0 3 377.485 3.859 20 5 GHBDHN COc1cc(CNCC[C@@H]2CCCS2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001179273540 909463523 /nfs/dbraw/zinc/46/35/23/909463523.db2.gz GTESAWUZSMPXSC-LBPRGKRZSA-N 0 3 394.415 3.920 20 5 GHBDHN CCOC(=O)[C@@H]1CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)c2ccccc21 ZINC000283354694 911474498 /nfs/dbraw/zinc/47/44/98/911474498.db2.gz MSGQFGSZOHPOON-QZTJIDSGSA-N 0 3 384.432 3.875 20 5 GHBDHN CN(C)Cc1c2ccccc2oc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283669214 911607131 /nfs/dbraw/zinc/60/71/31/911607131.db2.gz RKMUWCRRJLUKIC-UHFFFAOYSA-N 0 3 381.432 3.717 20 5 GHBDHN Cc1nc2ccccc2n1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796463124 917534377 /nfs/dbraw/zinc/53/43/77/917534377.db2.gz FJRLCGOYVVFISD-NRFANRHFSA-N 0 3 380.448 3.623 20 5 GHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccs1 ZINC000298773434 920911028 /nfs/dbraw/zinc/91/10/28/920911028.db2.gz JHROVUONRMZWJP-KRWDZBQOSA-N 0 3 388.493 3.607 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000802383519 922064845 /nfs/dbraw/zinc/06/48/45/922064845.db2.gz UQZPNFJSKWPZAG-HNNXBMFYSA-N 0 3 382.247 3.934 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)C1CCOCC1 ZINC000367631661 922241996 /nfs/dbraw/zinc/24/19/96/922241996.db2.gz JBMMIHBHYRIOJT-OAQYLSRUSA-N 0 3 383.448 3.599 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(OC[C@H]4CCOC4)CC3)o2)cc1 ZINC000368166966 922512557 /nfs/dbraw/zinc/51/25/57/922512557.db2.gz ZJJVKRGGPUBZLH-INIZCTEOSA-N 0 3 386.448 3.872 20 5 GHBDHN O=C(CCN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000409902308 925116037 /nfs/dbraw/zinc/11/60/37/925116037.db2.gz XCDPHENTRPBABY-HNNXBMFYSA-N 0 3 389.477 3.666 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000410576699 925741584 /nfs/dbraw/zinc/74/15/84/925741584.db2.gz TYOINTSVIOVXLE-SFHVURJKSA-N 0 3 381.476 3.605 20 5 GHBDHN O=C(CCN1CCC[C@@H]1c1cccc2c1OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411220391 926221380 /nfs/dbraw/zinc/22/13/80/926221380.db2.gz SBRBBSDBBZXCFC-GOSISDBHSA-N 0 3 397.431 3.532 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000726601061 926755838 /nfs/dbraw/zinc/75/58/38/926755838.db2.gz PQJKUDHOKOSOFT-MAUKXSAKSA-N 0 3 377.485 3.905 20 5 GHBDHN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000726605199 926759067 /nfs/dbraw/zinc/75/90/67/926759067.db2.gz KCVXMWKYCUQTPI-JYHGAKRHSA-N 0 3 381.476 3.677 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H](O)c3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000726606713 926761261 /nfs/dbraw/zinc/76/12/61/926761261.db2.gz KSMMLQZMABIADB-IBGZPJMESA-N 0 3 398.415 3.695 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000411809045 926804118 /nfs/dbraw/zinc/80/41/18/926804118.db2.gz SVRQBTCWVPDGSI-VXGBXAGGSA-N 0 3 389.374 3.595 20 5 GHBDHN CN(Cc1ccccc1)C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000726796477 926858174 /nfs/dbraw/zinc/85/81/74/926858174.db2.gz AZCYTLYGVRZLOI-OAHLLOKOSA-N 0 3 389.502 3.790 20 5 GHBDHN O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(Cc2ccccc2)CC1 ZINC000751669519 928314111 /nfs/dbraw/zinc/31/41/11/928314111.db2.gz WPKOVAWHXAVGBO-UHFFFAOYSA-N 0 3 395.415 3.691 20 5 GHBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000546056278 929811756 /nfs/dbraw/zinc/81/17/56/929811756.db2.gz PYKWHRXIVMLLBI-GHTZIAJQSA-N 0 3 385.464 3.646 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000469477331 929926568 /nfs/dbraw/zinc/92/65/68/929926568.db2.gz DEGNJTCHSRIWOP-OAQYLSRUSA-N 0 3 383.492 3.800 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000561878322 934531641 /nfs/dbraw/zinc/53/16/41/934531641.db2.gz XWPQOZGBTCHTQE-CYBMUJFWSA-N 0 3 395.381 3.864 20 5 GHBDHN CCN1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001625950867 1014522540 /nfs/dbraw/zinc/52/25/40/1014522540.db2.gz LRSMGORTSQECDW-KRWDZBQOSA-N 0 3 396.491 3.763 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NCCc2cn3c(n2)SCC3)c2ccccc2)c1 ZINC000468044342 1015184437 /nfs/dbraw/zinc/18/44/37/1015184437.db2.gz GZFDZYLFXXAKIT-LJQANCHMSA-N 0 3 380.473 3.819 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)[n-]c2c1 ZINC001227742640 1032539283 /nfs/dbraw/zinc/53/92/83/1032539283.db2.gz CGIUIJGMSSSWAP-XAUMDUMWSA-N 0 3 378.432 3.761 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)[n-]c2c1 ZINC001227742640 1032539294 /nfs/dbraw/zinc/53/92/94/1032539294.db2.gz CGIUIJGMSSSWAP-XAUMDUMWSA-N 0 3 378.432 3.761 20 5 GHBDHN Cc1cc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc([N+](=O)[O-])c1 ZINC000557936682 1017076521 /nfs/dbraw/zinc/07/65/21/1017076521.db2.gz MTTYHMHMMGOLSE-HXUWFJFHSA-N 0 3 385.464 3.723 20 5 GHBDHN Cc1ccc([C@H](C)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1[N+](=O)[O-] ZINC000834904780 1021656658 /nfs/dbraw/zinc/65/66/58/1021656658.db2.gz PXVIABWLFRJKPX-RDJZCZTQSA-N 0 3 393.484 3.580 20 5 GHBDHN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(c2ccnc3ccccc32)CC1 ZINC001140549368 1021950446 /nfs/dbraw/zinc/95/04/46/1021950446.db2.gz QXZJKXGFSOIAAL-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN COc1cccc(CN2CCC(Nc3ncnc4cccc([N+](=O)[O-])c43)CC2)c1 ZINC000754016269 1022425675 /nfs/dbraw/zinc/42/56/75/1022425675.db2.gz APOKLLUXLUFKHV-UHFFFAOYSA-N 0 3 393.447 3.623 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000754169122 1022520121 /nfs/dbraw/zinc/52/01/21/1022520121.db2.gz LGQGQHFUGQWFJY-YYOLLNNXSA-N 0 3 379.460 3.950 20 5 GHBDHN Cc1cc([C@H](N)CC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000831063055 1024337649 /nfs/dbraw/zinc/33/76/49/1024337649.db2.gz RZGPKDMGFFNVLY-SWLSCSKDSA-N 0 3 376.844 3.527 20 5 GHBDHN CCOc1cc(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)ccc1[N+](=O)[O-] ZINC000832054057 1025188096 /nfs/dbraw/zinc/18/80/96/1025188096.db2.gz DJKJPHIIFGTXQK-SJORKVTESA-N 0 3 376.453 3.501 20 5 GHBDHN CC(C)OCCN1CCC(Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001162718144 1025891211 /nfs/dbraw/zinc/89/12/11/1025891211.db2.gz RPTOLHOAFNMUCJ-UHFFFAOYSA-N 0 3 375.391 3.915 20 5 GHBDHN CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000839601004 1026099829 /nfs/dbraw/zinc/09/98/29/1026099829.db2.gz IUYMADIDZWVZOS-RBUKOAKNSA-N 0 3 391.855 3.535 20 5 GHBDHN C[C@@H]1CN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)[C@@H](C)CN1Cc1ccccc1 ZINC001165202896 1026664934 /nfs/dbraw/zinc/66/49/34/1026664934.db2.gz QDWNOSZEYJCJBD-LSSLULSBSA-N 0 3 395.507 3.621 20 5 GHBDHN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCCN(Cc2ccccc2)C1 ZINC001222772817 1030303239 /nfs/dbraw/zinc/30/32/39/1030303239.db2.gz GCBOGBZNDXHPCD-KRWDZBQOSA-N 0 3 384.432 3.563 20 5 GHBDHN O=[N+]([O-])c1ccc2cc(-c3nc(-c4ccc5c(n4)CCNC5)no3)sc2c1 ZINC001217508497 1030450252 /nfs/dbraw/zinc/45/02/52/1030450252.db2.gz PPMATRVYULRRAE-UHFFFAOYSA-N 0 3 379.401 3.567 20 5 GHBDHN Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H](N)CCCc1ccccc1 ZINC001218857996 1031119306 /nfs/dbraw/zinc/11/93/06/1031119306.db2.gz SMSUPXPEAKHGRS-INIZCTEOSA-N 0 3 385.471 3.654 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225888483 1031676166 /nfs/dbraw/zinc/67/61/66/1031676166.db2.gz BXIAVFKIHGERIS-SCLBCKFNSA-N 0 3 389.383 3.932 20 5 GHBDHN C[S@](=O)[C@@H]1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC001461804985 1069759831 /nfs/dbraw/zinc/75/98/31/1069759831.db2.gz HZTRLFBDUOXAGW-ALQUZDBKSA-N 0 3 392.452 3.915 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC1CCN(Cc2ccccc2)CC1 ZINC001229957352 1033815737 /nfs/dbraw/zinc/81/57/37/1033815737.db2.gz IRZUUNYGDHXRRC-UHFFFAOYSA-N 0 3 384.432 3.733 20 5 GHBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001230314729 1033992186 /nfs/dbraw/zinc/99/21/86/1033992186.db2.gz GEPGLHAUFHUAMK-MNZLEMJZSA-N 0 3 383.404 3.792 20 5 GHBDHN CN1CCC(N(Cc2ccc(F)cc2)c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001158449128 1034083709 /nfs/dbraw/zinc/08/37/09/1034083709.db2.gz SEONLFFNKQZLJO-UHFFFAOYSA-N 0 3 383.427 3.711 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC001207129630 1034114719 /nfs/dbraw/zinc/11/47/19/1034114719.db2.gz AEJLXMHNWHSFNE-LJQANCHMSA-N 0 3 398.463 3.952 20 5 GHBDHN c1cnc2c(c1)ccc1ccc(CN3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)nc12 ZINC001232221914 1035170035 /nfs/dbraw/zinc/17/00/35/1035170035.db2.gz MIEKOOVDMWCEPO-ZJSXRUAMSA-N 0 3 389.499 3.943 20 5 GHBDHN COc1cccc(CN2CC[C@H](Nc3ncc([N+](=O)[O-])c4ccccc43)C2)c1 ZINC001161187339 1035171961 /nfs/dbraw/zinc/17/19/61/1035171961.db2.gz DUJJIYQWFPECGU-INIZCTEOSA-N 0 3 378.432 3.838 20 5 GHBDHN C[C@@H]1C[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001461984801 1069930033 /nfs/dbraw/zinc/93/00/33/1069930033.db2.gz XFIBGMREGIHMJJ-CVEARBPZSA-N 0 3 389.496 3.989 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001254554191 1040322770 /nfs/dbraw/zinc/32/27/70/1040322770.db2.gz ANEVYFWBIUKZNW-PXNSSMCTSA-N 0 3 393.487 3.664 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254553864 1040323338 /nfs/dbraw/zinc/32/33/38/1040323338.db2.gz ZSLARZSFRHUIKB-NVXWUHKLSA-N 0 3 377.485 3.905 20 5 GHBDHN CC(C)N(C)Cc1cnc2n1CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC001254556441 1040326712 /nfs/dbraw/zinc/32/67/12/1040326712.db2.gz KZTISJQJFBTXLL-IAGOWNOFSA-N 0 3 385.512 3.639 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001254571519 1040348736 /nfs/dbraw/zinc/34/87/36/1040348736.db2.gz XCEJLRJPISIVTJ-DOTOQJQBSA-N 0 3 377.485 3.857 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@]12CCCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595126 1040366992 /nfs/dbraw/zinc/36/69/92/1040366992.db2.gz VLLXRXNSGMXCAZ-NQIIRXRSSA-N 0 3 387.480 3.537 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H](C2CCC2)[C@H]2CCCO2)cc1Br ZINC001462483792 1070291906 /nfs/dbraw/zinc/29/19/06/1070291906.db2.gz YHIRWWUVUZTTLL-OLZOCXBDSA-N 0 3 375.288 3.856 20 5 GHBDHN COc1cc(N2CCC(N(C)Cc3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC001256101981 1041528617 /nfs/dbraw/zinc/52/86/17/1041528617.db2.gz SROIXGYZHLCNMC-UHFFFAOYSA-N 0 3 391.418 3.982 20 5 GHBDHN CCOc1ccc(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001297931300 1045662977 /nfs/dbraw/zinc/66/29/77/1045662977.db2.gz ZVGADAZBWUUKMN-UHFFFAOYSA-N 0 3 391.512 3.966 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)c(C)c2)CC1 ZINC001264048074 1047226138 /nfs/dbraw/zinc/22/61/38/1047226138.db2.gz BBLMURUENWIUMN-UHFFFAOYSA-N 0 3 396.491 3.914 20 5 GHBDHN C[C@@H]1CN(CCCCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC001307068273 1049050876 /nfs/dbraw/zinc/05/08/76/1049050876.db2.gz FFQGTHFPORJFPS-CHWSQXEVSA-N 0 3 375.391 3.915 20 5 GHBDHN CCCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCC[C@H]1OC ZINC001307769646 1049580321 /nfs/dbraw/zinc/58/03/21/1049580321.db2.gz KWMCZVWCJLRHGJ-RTBURBONSA-N 0 3 377.485 3.901 20 5 GHBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001307893048 1049671943 /nfs/dbraw/zinc/67/19/43/1049671943.db2.gz DOUGUJDWLLNLCE-ZACQAIPSSA-N 0 3 398.463 3.986 20 5 GHBDHN CCOC(=O)c1sc([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)nc1C ZINC001308043703 1049793648 /nfs/dbraw/zinc/79/36/48/1049793648.db2.gz REWDBNOGHVWWOM-HNNXBMFYSA-N 0 3 389.477 3.834 20 5 GHBDHN COc1ccccc1O[C@@H](C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001308290634 1049939522 /nfs/dbraw/zinc/93/95/22/1049939522.db2.gz KZRNHOIOBRNPRY-LBPRGKRZSA-N 0 3 382.363 3.762 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308443896 1049977872 /nfs/dbraw/zinc/97/78/72/1049977872.db2.gz CHXZGSPHHRHIHF-DLBZAZTESA-N 0 3 393.484 3.775 20 5 GHBDHN C[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000848571843 1057187732 /nfs/dbraw/zinc/18/77/32/1057187732.db2.gz UPLWRKHWMRONAJ-TZMCWYRMSA-N 0 3 387.461 3.957 20 5 GHBDHN C[C@@H](C(=O)N1CCN(CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001356250932 1057447981 /nfs/dbraw/zinc/44/79/81/1057447981.db2.gz ONAXBGCMKKPONY-OAHLLOKOSA-N 0 3 377.460 3.562 20 5 GHBDHN CC(C)Oc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1[N+](=O)[O-] ZINC001440673499 1058573068 /nfs/dbraw/zinc/57/30/68/1058573068.db2.gz LGXYJDZBKXWNAN-FQEVSTJZSA-N 0 3 397.475 3.949 20 5 GHBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001341816140 1060907607 /nfs/dbraw/zinc/90/76/07/1060907607.db2.gz RYZRFNQJIIWSJV-UKRRQHHQSA-N 0 3 377.828 3.513 20 5 GHBDHN CNc1c(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC001455651014 1062246920 /nfs/dbraw/zinc/24/69/20/1062246920.db2.gz SBCDHZSZSRKWEG-UHFFFAOYSA-N 0 3 396.369 3.969 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001456563991 1062753624 /nfs/dbraw/zinc/75/36/24/1062753624.db2.gz QTGHIHOPWMNDIR-KRWDZBQOSA-N 0 3 381.476 3.948 20 5 GHBDHN CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001457541521 1063234393 /nfs/dbraw/zinc/23/43/93/1063234393.db2.gz BVIBUCDOCRLKDU-BHIFYINESA-N 0 3 393.487 3.821 20 5 GHBDHN CN(CCN1CCCCC1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC001458452569 1063816223 /nfs/dbraw/zinc/81/62/23/1063816223.db2.gz LSNAYSARRSOJRC-UHFFFAOYSA-N 0 3 382.333 3.566 20 5 GHBDHN CN(C)CCN(CC1CCCCC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001464479925 1065036937 /nfs/dbraw/zinc/03/69/37/1065036937.db2.gz ZCHJOHITLCUESI-UHFFFAOYSA-N 0 3 399.894 3.900 20 5 GHBDHN CC[C@H]1c2ccc(OC)c(OC)c2CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460346440 1068935729 /nfs/dbraw/zinc/93/57/29/1068935729.db2.gz XSOKOINMCLGTRH-OALUTQOASA-N 0 3 386.448 3.655 20 5 GHBDHN Cc1c(NC(=O)CCN2CCN([C@@H](C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001460709695 1069109410 /nfs/dbraw/zinc/10/94/10/1069109410.db2.gz XIONAYWUECJKOD-SFHVURJKSA-N 0 3 396.491 3.611 20 5 GHBDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC001473455448 1073972187 /nfs/dbraw/zinc/97/21/87/1073972187.db2.gz ZDZTXKFWXPVXFJ-INIZCTEOSA-N 0 3 393.484 3.743 20 5 GHBDHN C[C@@](CO)(NCCOc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001473472387 1073981564 /nfs/dbraw/zinc/98/15/64/1073981564.db2.gz MXNUVULKRDSAOY-KRWDZBQOSA-N 0 3 385.247 3.778 20 5 GHBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@H]([C@H]3CCOC3)C2)c(Br)c1 ZINC001473869684 1074183258 /nfs/dbraw/zinc/18/32/58/1074183258.db2.gz AXIQAGUXRSPDIL-ZFWWWQNUSA-N 0 3 383.286 3.996 20 5 GHBDHN Cc1ccc(CNC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001474239568 1074306203 /nfs/dbraw/zinc/30/62/03/1074306203.db2.gz BKPISDHZGZWHFF-CYBMUJFWSA-N 0 3 391.390 3.839 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000024238699 834656297 /nfs/dbraw/zinc/65/62/97/834656297.db2.gz NCZIIBQJQZWRCZ-UHFFFAOYSA-N 0 3 383.452 3.689 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181061269 837809658 /nfs/dbraw/zinc/80/96/58/837809658.db2.gz YKHIGGCUGRDRJN-QGZVFWFLSA-N 0 3 396.491 3.789 20 5 GHBDHN CSc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000187081773 835004362 /nfs/dbraw/zinc/00/43/62/835004362.db2.gz CGUPRVJEROSHSK-PBHICJAKSA-N 0 3 385.489 3.567 20 5 GHBDHN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000609506186 835929734 /nfs/dbraw/zinc/92/97/34/835929734.db2.gz LFEGLNMUYYXNFS-CVEARBPZSA-N 0 3 387.505 3.712 20 5 GHBDHN COc1ccc(NC(=O)CCN2CC[C@H](C(F)(F)F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411782940 836345930 /nfs/dbraw/zinc/34/59/30/836345930.db2.gz ALFTTWRRSYHIMG-NEPJUHHUSA-N 0 3 389.374 3.595 20 5 GHBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000187257860 836359700 /nfs/dbraw/zinc/35/97/00/836359700.db2.gz IIJJATBJWSUPGH-DJJJIMSYSA-N 0 3 375.856 3.598 20 5 GHBDHN O=C(CCN1CC2(CCOCC2)[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411996011 836487234 /nfs/dbraw/zinc/48/72/34/836487234.db2.gz FTFDUIKJBDCBRF-NRFANRHFSA-N 0 3 395.459 3.777 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1c1cccc(F)c1 ZINC000578396402 836619891 /nfs/dbraw/zinc/61/98/91/836619891.db2.gz MRDBNSQEHDRORM-KRWDZBQOSA-N 0 3 385.395 3.869 20 5 GHBDHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc2ccccc21 ZINC000102690841 838185510 /nfs/dbraw/zinc/18/55/10/838185510.db2.gz DGSVRGQDENDRSS-CYBMUJFWSA-N 0 3 393.399 3.766 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000549102834 838335141 /nfs/dbraw/zinc/33/51/41/838335141.db2.gz PVTSIRHEAURVIX-OAQYLSRUSA-N 0 3 398.507 3.644 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000064869138 838355984 /nfs/dbraw/zinc/35/59/84/838355984.db2.gz YATZWCSXOQIJJY-SFHVURJKSA-N 0 3 396.472 3.751 20 5 GHBDHN COc1ccc(OCCN2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000175852536 838481200 /nfs/dbraw/zinc/48/12/00/838481200.db2.gz SHJCIZGZCQEJMP-YOEHRIQHSA-N 0 3 392.477 3.632 20 5 GHBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001125878219 839019166 /nfs/dbraw/zinc/01/91/66/839019166.db2.gz AWYMMEAZZSCDEQ-QGZVFWFLSA-N 0 3 387.867 3.700 20 5 GHBDHN CN(Cc1ccccc1)CC(C)(C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000118971115 839234341 /nfs/dbraw/zinc/23/43/41/839234341.db2.gz NDQDLTAGNBGPNZ-UHFFFAOYSA-N 0 3 395.463 3.645 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412385655 839505855 /nfs/dbraw/zinc/50/58/55/839505855.db2.gz XMAWOROCBFWFGZ-BULFRSBZSA-N 0 3 393.487 3.679 20 5 GHBDHN Cc1cc(N2CCC(NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)n[nH]1 ZINC000275969740 840135978 /nfs/dbraw/zinc/13/59/78/840135978.db2.gz HELDBLYNJJOATR-UHFFFAOYSA-N 0 3 398.492 3.508 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000053718379 840355948 /nfs/dbraw/zinc/35/59/48/840355948.db2.gz VMOZPFJHDOLSTJ-GOSISDBHSA-N 0 3 387.411 3.908 20 5 GHBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000584694851 840571715 /nfs/dbraw/zinc/57/17/15/840571715.db2.gz ZFFYHKPUBFGANL-CQSZACIVSA-N 0 3 391.418 3.567 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000151077696 844588943 /nfs/dbraw/zinc/58/89/43/844588943.db2.gz FWBDYYJUMIGREO-UHFFFAOYSA-N 0 3 399.369 3.719 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500148219 841518601 /nfs/dbraw/zinc/51/86/01/841518601.db2.gz JZXMXTNVPLDBAH-VQIMIIECSA-N 0 3 381.476 3.509 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccsc1 ZINC000053501750 841555713 /nfs/dbraw/zinc/55/57/13/841555713.db2.gz UWTLVHBRMCAMMW-GOSISDBHSA-N 0 3 386.477 3.951 20 5 GHBDHN Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)nc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302181972 861233776 /nfs/dbraw/zinc/23/37/76/861233776.db2.gz ODCIGGPBSKPAHW-HNNXBMFYSA-N 0 3 393.447 3.684 20 5 GHBDHN COC[C@@](C)(CO)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000610518991 841854638 /nfs/dbraw/zinc/85/46/38/841854638.db2.gz MCRHDFPYCCXDFO-GOSISDBHSA-N 0 3 380.828 3.528 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCOc3cccc(Cl)c3)C2)nc1 ZINC000112656675 842358701 /nfs/dbraw/zinc/35/87/01/842358701.db2.gz BUVVRXAHQHPAFI-HNNXBMFYSA-N 0 3 376.844 3.599 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCOc3cccc(Cl)c3)C2)nc1 ZINC000112656678 842368680 /nfs/dbraw/zinc/36/86/80/842368680.db2.gz BUVVRXAHQHPAFI-OAHLLOKOSA-N 0 3 376.844 3.599 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccc(Oc3ccccc3)c2)c1 ZINC000555575597 861303891 /nfs/dbraw/zinc/30/38/91/861303891.db2.gz QLLVGTQHMJFFEG-LJQANCHMSA-N 0 3 394.427 3.917 20 5 GHBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000408351872 842742547 /nfs/dbraw/zinc/74/25/47/842742547.db2.gz JQEXDLZCLPGPJT-FRRDWIJNSA-N 0 3 383.290 3.594 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000512184229 842826211 /nfs/dbraw/zinc/82/62/11/842826211.db2.gz XLRLPTCKUKYZQD-KRWDZBQOSA-N 0 3 385.247 3.994 20 5 GHBDHN CC(C)Oc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001126285234 843636572 /nfs/dbraw/zinc/63/65/72/843636572.db2.gz AHOWBYVTGVLBTD-LJQANCHMSA-N 0 3 397.475 3.776 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000513398382 845354947 /nfs/dbraw/zinc/35/49/47/845354947.db2.gz RQKYGQIERYNFAR-SFHVURJKSA-N 0 3 378.856 3.899 20 5 GHBDHN CC[C@@H]1C[C@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421367776 846179486 /nfs/dbraw/zinc/17/94/86/846179486.db2.gz AAIUPJLSKBWUTN-CHWSQXEVSA-N 0 3 392.374 3.592 20 5 GHBDHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421765832 846569559 /nfs/dbraw/zinc/56/95/59/846569559.db2.gz ANKPEHVPPWHMFR-LJQANCHMSA-N 0 3 396.491 3.733 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158113996 846970636 /nfs/dbraw/zinc/97/06/36/846970636.db2.gz PZUSIUDKYDDHGV-LBPRGKRZSA-N 0 3 377.828 3.936 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000511118891 847171896 /nfs/dbraw/zinc/17/18/96/847171896.db2.gz BNYLAGIUZBURLW-OAHLLOKOSA-N 0 3 398.381 3.528 20 5 GHBDHN COc1ccc(CNCCOc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000237148291 847528451 /nfs/dbraw/zinc/52/84/51/847528451.db2.gz SSQSCZDSMLAOTO-UHFFFAOYSA-N 0 3 381.226 3.535 20 5 GHBDHN C[C@@H]1C[C@@]1(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000503377218 847651888 /nfs/dbraw/zinc/65/18/88/847651888.db2.gz NJQHDMUJSLALLA-FMEYXAORSA-N 0 3 376.840 3.513 20 5 GHBDHN C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000604126676 861858518 /nfs/dbraw/zinc/85/85/18/861858518.db2.gz QPLKRDFPSVJIBE-KRWDZBQOSA-N 0 3 382.464 3.573 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000582857837 848573763 /nfs/dbraw/zinc/57/37/63/848573763.db2.gz FZKQWBRVVBJWPT-INIZCTEOSA-N 0 3 392.843 3.681 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000514987080 850577845 /nfs/dbraw/zinc/57/78/45/850577845.db2.gz SHFQDBCGRNEVIH-RDTXWAMCSA-N 0 3 375.494 3.959 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000519187329 850736464 /nfs/dbraw/zinc/73/64/64/850736464.db2.gz ZVUUKYANHXYNCD-NRFANRHFSA-N 0 3 397.475 3.869 20 5 GHBDHN Cc1ccccc1C(NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1C ZINC000185859604 862181219 /nfs/dbraw/zinc/18/12/19/862181219.db2.gz PKBABVMVJOPEJN-UHFFFAOYSA-N 0 3 377.444 3.753 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000133834624 851485532 /nfs/dbraw/zinc/48/55/32/851485532.db2.gz CMEITPVMOZSXHX-UHFFFAOYSA-N 0 3 378.226 3.671 20 5 GHBDHN CC(C)[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(CO)CCC1 ZINC000430087099 851515188 /nfs/dbraw/zinc/51/51/88/851515188.db2.gz GLZFARLUDVIUAF-QGZVFWFLSA-N 0 3 375.494 3.995 20 5 GHBDHN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NCc1ccco1 ZINC000111398914 852110947 /nfs/dbraw/zinc/11/09/47/852110947.db2.gz PTQWQHXOOZQIOV-CYBMUJFWSA-N 0 3 385.445 3.711 20 5 GHBDHN O=C(c1ccccc1)c1ccc(N2CCC[C@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000489881335 852621752 /nfs/dbraw/zinc/62/17/52/852621752.db2.gz HJYBGWOSPKUZLF-IBGZPJMESA-N 0 3 379.460 3.890 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000029414659 853091684 /nfs/dbraw/zinc/09/16/84/853091684.db2.gz YWDHWEZXPXUXNC-QGZVFWFLSA-N 0 3 393.534 3.948 20 5 GHBDHN COC[C@@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000516919231 853157963 /nfs/dbraw/zinc/15/79/63/853157963.db2.gz DVGXPVVXMJEVCD-FZKQIMNGSA-N 0 3 391.855 3.943 20 5 GHBDHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(CN2CCCC2)c1 ZINC000517061624 853316310 /nfs/dbraw/zinc/31/63/10/853316310.db2.gz ASODCNRGGPDGFR-UHFFFAOYSA-N 0 3 392.459 3.644 20 5 GHBDHN C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN(Cc2ccccc2)C1 ZINC000519757153 853467791 /nfs/dbraw/zinc/46/77/91/853467791.db2.gz GVLJIRNOGHOMBY-HXUWFJFHSA-N 0 3 387.867 3.572 20 5 GHBDHN CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760654999 853631426 /nfs/dbraw/zinc/63/14/26/853631426.db2.gz HPACXDGJULGTLV-MRXNPFEDSA-N 0 3 387.867 3.985 20 5 GHBDHN CCO[C@H]1C[C@H](NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000553463967 855051178 /nfs/dbraw/zinc/05/11/78/855051178.db2.gz ZHQRNDVPUPVFNH-HOTGVXAUSA-N 0 3 386.395 3.642 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153601313 855285477 /nfs/dbraw/zinc/28/54/77/855285477.db2.gz ZNUYUAJYKYKIHO-WBMJQRKESA-N 0 3 384.354 3.704 20 5 GHBDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000542706588 855513106 /nfs/dbraw/zinc/51/31/06/855513106.db2.gz FTRCTPMPARILLI-CQSZACIVSA-N 0 3 396.896 3.551 20 5 GHBDHN COc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000057770079 855664556 /nfs/dbraw/zinc/66/45/56/855664556.db2.gz SLOHMABOZYNQLA-HXUWFJFHSA-N 0 3 398.463 3.870 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000274005999 856307053 /nfs/dbraw/zinc/30/70/53/856307053.db2.gz ZYGRIPGSDXVNLC-KBXCAEBGSA-N 0 3 387.386 3.630 20 5 GHBDHN COC(=O)/C=C/c1ccc(NC[C@H](c2cccc(OC)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000029070496 856333144 /nfs/dbraw/zinc/33/31/44/856333144.db2.gz BIDSVZXCIPDZDU-WAEYIKQSSA-N 0 3 399.447 3.504 20 5 GHBDHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)c1ccccc1 ZINC000058296776 856563454 /nfs/dbraw/zinc/56/34/54/856563454.db2.gz BMGWIRVBRBOPAE-AWEZNQCLSA-N 0 3 391.855 3.610 20 5 GHBDHN CCN(CCCN1CCCC1)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000508210621 857048074 /nfs/dbraw/zinc/04/80/74/857048074.db2.gz KVXXLLLRMIWKAZ-UHFFFAOYSA-N 0 3 395.478 3.768 20 5 GHBDHN CN(C)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301701943 857250932 /nfs/dbraw/zinc/25/09/32/857250932.db2.gz TXLXLJSHVNSMRE-AWEZNQCLSA-N 0 3 383.221 3.606 20 5 GHBDHN CC[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000046310138 857263922 /nfs/dbraw/zinc/26/39/22/857263922.db2.gz LWYBJICTJHMPMR-FQEVSTJZSA-N 0 3 396.491 3.573 20 5 GHBDHN CCOc1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c([N+](=O)[O-])cc1OC ZINC000574340108 857682222 /nfs/dbraw/zinc/68/22/22/857682222.db2.gz UWOJUGFBJVBTCT-UHFFFAOYSA-N 0 3 398.419 3.781 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000574319343 857698233 /nfs/dbraw/zinc/69/82/33/857698233.db2.gz FONKZIHQSYUVCG-CQSZACIVSA-N 0 3 378.734 3.911 20 5 GHBDHN C/C=C\c1ccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000255918718 858381982 /nfs/dbraw/zinc/38/19/82/858381982.db2.gz OXBIVQZBHGUMMY-MZMUCMQHSA-N 0 3 386.448 3.727 20 5 GHBDHN C[C@H]1[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000575084827 858578859 /nfs/dbraw/zinc/57/88/59/858578859.db2.gz IEYITKUKWHNLHQ-OXJNMPFZSA-N 0 3 396.491 3.792 20 5 GHBDHN Cc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000593129125 858729867 /nfs/dbraw/zinc/72/98/67/858729867.db2.gz QHYMNWWKGTZTDM-JSGCOSHPSA-N 0 3 397.353 3.559 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)ccn1 ZINC000856535177 881347772 /nfs/dbraw/zinc/34/77/72/881347772.db2.gz QHGPWBZEPPRITG-MRXNPFEDSA-N 0 3 376.482 3.549 20 5 GHBDHN O=C(c1cc(NC[C@@H]2CCN2Cc2ccccc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000596557796 858934400 /nfs/dbraw/zinc/93/44/00/858934400.db2.gz LLDPUZSVUXIUCP-IBGZPJMESA-N 0 3 394.475 3.517 20 5 GHBDHN C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000543257516 859051949 /nfs/dbraw/zinc/05/19/49/859051949.db2.gz ZGSSZAKNMRBOFV-CYBMUJFWSA-N 0 3 385.917 3.577 20 5 GHBDHN CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001127775671 859486387 /nfs/dbraw/zinc/48/63/87/859486387.db2.gz GIZVVHUGCWIPLL-FDFHNCONSA-N 0 3 393.487 3.821 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000161074213 859548363 /nfs/dbraw/zinc/54/83/63/859548363.db2.gz YVFWKZASJIPCGH-QGZVFWFLSA-N 0 3 387.505 3.610 20 5 GHBDHN CCc1ccc([C@@H](NC[C@]2(N(C)C)CCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403736 859589469 /nfs/dbraw/zinc/58/94/69/859589469.db2.gz KOXBUMFDOZUPTM-VQTJNVASSA-N 0 3 389.521 3.867 20 5 GHBDHN COc1ccccc1C[C@H]1CCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611266515 859673880 /nfs/dbraw/zinc/67/38/80/859673880.db2.gz NTGGRJJOJPSDJS-QGZVFWFLSA-N 0 3 384.432 3.582 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000593410333 859766987 /nfs/dbraw/zinc/76/69/87/859766987.db2.gz PZZDPOMHXYWLDE-QGZVFWFLSA-N 0 3 379.457 3.537 20 5 GHBDHN COc1ccc([C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)N(C)C)cc1OC ZINC000593458770 859852818 /nfs/dbraw/zinc/85/28/18/859852818.db2.gz LYWOKSQDSFPPSA-IBGZPJMESA-N 0 3 396.447 3.875 20 5 GHBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474328700 859861582 /nfs/dbraw/zinc/86/15/82/859861582.db2.gz GMHYLPVYRROZMA-INIZCTEOSA-N 0 3 388.855 3.986 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000154251612 860036482 /nfs/dbraw/zinc/03/64/82/860036482.db2.gz BLWBPFQKPFXOLX-MAUKXSAKSA-N 0 3 389.496 3.825 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@H]2CCO[C@@]3(CCSC3)C2)cc1Br ZINC000602567935 860119855 /nfs/dbraw/zinc/11/98/55/860119855.db2.gz HBMJUVYIOOCWJB-ZANVPECISA-N 0 3 393.328 3.563 20 5 GHBDHN CNC(=O)CCCN(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000093717354 860336184 /nfs/dbraw/zinc/33/61/84/860336184.db2.gz YGCNJHCECXNOAS-UHFFFAOYSA-N 0 3 391.855 3.999 20 5 GHBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1OC ZINC000603474557 860736592 /nfs/dbraw/zinc/73/65/92/860736592.db2.gz OVAWXNUORUWMEE-INIZCTEOSA-N 0 3 379.844 3.980 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)N(C)C)cc1 ZINC000603643025 860945667 /nfs/dbraw/zinc/94/56/67/860945667.db2.gz RMTHICYNZNJBKC-SFHVURJKSA-N 0 3 386.452 3.590 20 5 GHBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCN1C ZINC000444086645 863357866 /nfs/dbraw/zinc/35/78/66/863357866.db2.gz JMEHWPJCRCFZFH-TZMCWYRMSA-N 0 3 399.441 3.514 20 5 GHBDHN Cc1c(NC(=O)CCN2C[C@H](C)OC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000594058906 863940386 /nfs/dbraw/zinc/94/03/86/863940386.db2.gz ULDGPWDOZSXMRY-HNNXBMFYSA-N 0 3 375.469 3.655 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC3(CC(N)=O)CCC3)cc2[N+](=O)[O-])cc1 ZINC000475093579 864150876 /nfs/dbraw/zinc/15/08/76/864150876.db2.gz OKCDGNFVTLIDAI-UHFFFAOYSA-N 0 3 385.489 3.942 20 5 GHBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475097200 864184565 /nfs/dbraw/zinc/18/45/65/864184565.db2.gz YEOGWKVMFNBUAQ-QKVQGTQPSA-N 0 3 390.484 3.609 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000554634276 864636641 /nfs/dbraw/zinc/63/66/41/864636641.db2.gz SRIMVIOEWQIBCK-DYVFJYSZSA-N 0 3 391.443 3.850 20 5 GHBDHN COc1cc(CN[C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000186334168 864861047 /nfs/dbraw/zinc/86/10/47/864861047.db2.gz AINSUSDQHLFFDM-HIFRSBDPSA-N 0 3 388.411 3.888 20 5 GHBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000534134328 866188853 /nfs/dbraw/zinc/18/88/53/866188853.db2.gz ZZFSTNIDKFQUFX-UHFFFAOYSA-N 0 3 395.381 3.655 20 5 GHBDHN Cn1cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183209171 866375864 /nfs/dbraw/zinc/37/58/64/866375864.db2.gz FQVPTXVSFCPQGT-HXUWFJFHSA-N 0 3 396.422 3.788 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000475575144 866387162 /nfs/dbraw/zinc/38/71/62/866387162.db2.gz YZICYTGQLPENMV-LPHOPBHVSA-N 0 3 382.464 3.854 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H]1c1cccs1 ZINC000741606858 866654302 /nfs/dbraw/zinc/65/43/02/866654302.db2.gz RSPXLQKUNDFNRG-PXAZEXFGSA-N 0 3 377.441 3.608 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@H](O)c3cnn(C)c3)cc2[N+](=O)[O-])cc1 ZINC000742376491 867270262 /nfs/dbraw/zinc/27/02/62/867270262.db2.gz VKDBLDHUULIAAM-IBGZPJMESA-N 0 3 398.488 3.611 20 5 GHBDHN COC[C@@H](CCO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000523518728 867479967 /nfs/dbraw/zinc/47/99/67/867479967.db2.gz OSDRTEQOLSNGMF-CQSZACIVSA-N 0 3 380.828 3.528 20 5 GHBDHN C[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000523705101 867781947 /nfs/dbraw/zinc/78/19/47/867781947.db2.gz AIFIBUJVDMFFOG-UZLBHIALSA-N 0 3 382.464 3.620 20 5 GHBDHN COc1cc(C(=O)N(CCCc2ccccc2)CCN(C)C)cc([N+](=O)[O-])c1C ZINC000479828316 868573498 /nfs/dbraw/zinc/57/34/98/868573498.db2.gz ILEPEUDMJAFAFO-UHFFFAOYSA-N 0 3 399.491 3.548 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1OC ZINC001170434036 882245735 /nfs/dbraw/zinc/24/57/35/882245735.db2.gz DMLDBYFLSJJYER-DZXDFRQDSA-N 0 3 392.496 3.931 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617698863 870751554 /nfs/dbraw/zinc/75/15/54/870751554.db2.gz ZFKZZSJEZDTUEW-GOSISDBHSA-N 0 3 381.476 3.741 20 5 GHBDHN CCN1CCN(C[C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461783626 870951543 /nfs/dbraw/zinc/95/15/43/870951543.db2.gz FRAFCXABESHHPH-CYBMUJFWSA-N 0 3 388.434 3.608 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463278547 871314950 /nfs/dbraw/zinc/31/49/50/871314950.db2.gz NRHYDYBQPCYADC-OXQOHEQNSA-N 0 3 396.491 3.650 20 5 GHBDHN CC(C)O[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000463407245 871642694 /nfs/dbraw/zinc/64/26/94/871642694.db2.gz SPNICVVNTZWYEU-KNXALSJPSA-N 0 3 383.876 3.757 20 5 GHBDHN CCOc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000618578631 871730622 /nfs/dbraw/zinc/73/06/22/871730622.db2.gz POWSQTHHRNOYTP-FGTMMUONSA-N 0 3 386.452 3.787 20 5 GHBDHN COC(=O)c1ccc(OC)c(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001194477215 871738507 /nfs/dbraw/zinc/73/85/07/871738507.db2.gz IPNKTXGKKIGLRJ-QGZVFWFLSA-N 0 3 384.432 3.770 20 5 GHBDHN CC1(C)CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000448373903 873288181 /nfs/dbraw/zinc/28/81/81/873288181.db2.gz REKRYFPGEGNRSM-HXUWFJFHSA-N 0 3 392.459 3.650 20 5 GHBDHN CC(C)(C)O[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000595778773 874217050 /nfs/dbraw/zinc/21/70/50/874217050.db2.gz VCTPVUYZZZLGPY-CVEARBPZSA-N 0 3 395.887 3.903 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000449182782 874576894 /nfs/dbraw/zinc/57/68/94/874576894.db2.gz BCKRMWWMDUSNAV-LLVKDONJSA-N 0 3 380.347 3.646 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOCCF)o2)c(Br)c1 ZINC000596057463 875013514 /nfs/dbraw/zinc/01/35/14/875013514.db2.gz RXRUZVHJYNFWHP-UHFFFAOYSA-N 0 3 387.205 3.693 20 5 GHBDHN CNC(=O)C[C@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000449604166 875131255 /nfs/dbraw/zinc/13/12/55/875131255.db2.gz SJAYSXCMVLKGSW-LBPRGKRZSA-N 0 3 377.828 3.655 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC001199855245 875205079 /nfs/dbraw/zinc/20/50/79/875205079.db2.gz KJBWPOFQHZQTEZ-MRXNPFEDSA-N 0 3 392.843 3.681 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H]2CCCc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000492481111 876913460 /nfs/dbraw/zinc/91/34/60/876913460.db2.gz CJAWFXJSBJYQGI-GOSISDBHSA-N 0 3 384.432 3.622 20 5 GHBDHN C[C@H](NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850579704 877051874 /nfs/dbraw/zinc/05/18/74/877051874.db2.gz YMOSQUONQSEDML-KXBFYZLASA-N 0 3 385.464 3.723 20 5 GHBDHN C[C@H](NC[C@H](O)COc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000451101075 877391717 /nfs/dbraw/zinc/39/17/17/877391717.db2.gz ATEZRAKDUVZOOM-WFASDCNBSA-N 0 3 384.354 3.704 20 5 GHBDHN Cc1c(Br)cncc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000851107764 877414110 /nfs/dbraw/zinc/41/41/10/877414110.db2.gz ALEWLSLVDQQYFA-ZUZCIYMTSA-N 0 3 397.200 3.855 20 5 GHBDHN CC(C)c1ccc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000615261753 877561937 /nfs/dbraw/zinc/56/19/37/877561937.db2.gz HUXQNVGBUYOCQV-UHFFFAOYSA-N 0 3 397.475 3.927 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787813219 877632345 /nfs/dbraw/zinc/63/23/45/877632345.db2.gz UJNOJYWBOOSJTH-CJNGLKHVSA-N 0 3 388.855 3.890 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1F ZINC000179639110 877810711 /nfs/dbraw/zinc/81/07/11/877810711.db2.gz RZAOFBPWOPYNOA-MRXNPFEDSA-N 0 3 393.390 3.951 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000451543488 878112630 /nfs/dbraw/zinc/11/26/30/878112630.db2.gz BZSZLPCMYUFSKJ-IEBWSBKVSA-N 0 3 395.459 3.695 20 5 GHBDHN C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788585571 878186062 /nfs/dbraw/zinc/18/60/62/878186062.db2.gz VZSIWTYBWOTBIP-AWEZNQCLSA-N 0 3 391.431 3.675 20 5 GHBDHN C[C@H]1Cc2ccccc2N1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586599 878263532 /nfs/dbraw/zinc/26/35/32/878263532.db2.gz GFGWSLCRCKTTEY-KSFYIVLOSA-N 0 3 381.476 3.544 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000538234509 879094233 /nfs/dbraw/zinc/09/42/33/879094233.db2.gz RHSYBNYOHWNQLV-AEFFLSMTSA-N 0 3 383.448 3.599 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176468159 879374812 /nfs/dbraw/zinc/37/48/12/879374812.db2.gz CHAWPHMOSHNTIU-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN C[C@@]1(C(N)=O)CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000475676576 879451992 /nfs/dbraw/zinc/45/19/92/879451992.db2.gz KFISCTQCCAWYOU-LJQANCHMSA-N 0 3 389.839 3.738 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1F ZINC000790549824 879806485 /nfs/dbraw/zinc/80/64/85/879806485.db2.gz CKAUKFWBJXPRNQ-UGSOOPFHSA-N 0 3 391.468 3.917 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000453279030 880720425 /nfs/dbraw/zinc/72/04/25/880720425.db2.gz KUSQULKGJOXUJF-HNNXBMFYSA-N 0 3 386.452 3.675 20 5 GHBDHN Cc1c([C@H](C)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000531978986 880860394 /nfs/dbraw/zinc/86/03/94/880860394.db2.gz RVFUDRAGXDWENO-NPPFBWRTSA-N 0 3 383.492 3.843 20 5 GHBDHN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC(C)CC1 ZINC000499152239 881315796 /nfs/dbraw/zinc/31/57/96/881315796.db2.gz RCEHZKQEFHXTJB-AWEZNQCLSA-N 0 3 388.493 3.569 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC001170461208 883216862 /nfs/dbraw/zinc/21/68/62/883216862.db2.gz ZIDFDCDSAQAFFY-UHFFFAOYSA-N 0 3 391.418 3.854 20 5 GHBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813758 883375472 /nfs/dbraw/zinc/37/54/72/883375472.db2.gz UALSPBRCCBHQQT-ZYHUDNBSSA-N 0 3 388.346 3.585 20 5 GHBDHN O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(CN2CCCC2)c1 ZINC000805896206 884181727 /nfs/dbraw/zinc/18/17/27/884181727.db2.gz CLSUOSKBTJWBKK-RBUKOAKNSA-N 0 3 398.463 3.728 20 5 GHBDHN C[C@H]1CCC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000026466202 884259576 /nfs/dbraw/zinc/25/95/76/884259576.db2.gz ZTOAJNUQBARTBU-RYUDHWBXSA-N 0 3 384.274 3.806 20 5 GHBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000494966517 884301490 /nfs/dbraw/zinc/30/14/90/884301490.db2.gz WFMGRZOAIIKBLL-IBGZPJMESA-N 0 3 394.475 3.516 20 5 GHBDHN CCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C1CCN(C)CC1 ZINC000897897119 884502888 /nfs/dbraw/zinc/50/28/88/884502888.db2.gz LCAMAHTZZPRRNQ-UHFFFAOYSA-N 0 3 378.231 3.597 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1 ZINC000428548760 884562708 /nfs/dbraw/zinc/56/27/08/884562708.db2.gz PAVLUYJHWJQFBF-QFBILLFUSA-N 0 3 396.365 3.591 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3COc4ccccc4[C@H]3O)s2)cc1 ZINC000808452809 886365991 /nfs/dbraw/zinc/36/59/91/886365991.db2.gz RDUBOLCHYUWPHE-FXAWDEMLSA-N 0 3 382.441 3.908 20 5 GHBDHN Cc1ccc([C@@H]2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c(C)c1 ZINC000794660596 887707659 /nfs/dbraw/zinc/70/76/59/887707659.db2.gz GTWNSHJKELJFRT-GOSISDBHSA-N 0 3 377.448 3.917 20 5 GHBDHN CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000809917852 887942857 /nfs/dbraw/zinc/94/28/57/887942857.db2.gz CGGVRYRSESOJAD-HNNXBMFYSA-N 0 3 388.855 3.986 20 5 GHBDHN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@H]1C ZINC000032735338 888748689 /nfs/dbraw/zinc/74/86/89/888748689.db2.gz VEEQTQUJVYHTDE-MSOLQXFVSA-N 0 3 391.515 3.534 20 5 GHBDHN CCN(CC)[C@H](CNc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccsc1 ZINC001184830373 913468208 /nfs/dbraw/zinc/46/82/08/913468208.db2.gz KCPWBTJLRKFAPJ-QGZVFWFLSA-N 0 3 377.466 3.938 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H](C)[C@H](O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000533466143 890623761 /nfs/dbraw/zinc/62/37/61/890623761.db2.gz PTCGQLUBDMUKFT-QVKFZJNVSA-N 0 3 396.443 3.945 20 5 GHBDHN C[C@@H](NC1CCN(C(=O)c2ccccc2F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021295 891121264 /nfs/dbraw/zinc/12/12/64/891121264.db2.gz AQYBCKMDXWRDOU-CYBMUJFWSA-N 0 3 389.402 3.828 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000872121947 891169073 /nfs/dbraw/zinc/16/90/73/891169073.db2.gz IGDAINZXYSUCNP-UHFFFAOYSA-N 0 3 395.488 3.872 20 5 GHBDHN CCN1CCN(C[C@H](C)CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001184928516 913542164 /nfs/dbraw/zinc/54/21/64/913542164.db2.gz ZELGIPUHXYLZCJ-GFCCVEGCSA-N 0 3 375.300 3.587 20 5 GHBDHN Cc1ccc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3cnn(C(C)C)c3n2)s1 ZINC000813108896 891302155 /nfs/dbraw/zinc/30/21/55/891302155.db2.gz BUKJTDLWAALVLF-NSHDSACASA-N 0 3 388.449 3.871 20 5 GHBDHN CC(COC(=O)CSc1ncnc2scc(-c3ccccc3)c21)[N+](=O)[O-] ZINC000813112415 891306697 /nfs/dbraw/zinc/30/66/97/891306697.db2.gz PVYCOYNFXHSCRM-NSHDSACASA-N 0 3 389.458 3.659 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Cc1ccccc1 ZINC000813378254 891561772 /nfs/dbraw/zinc/56/17/72/891561772.db2.gz NSHAJNYCUNVACA-CQSZACIVSA-N 0 3 396.274 3.804 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1 ZINC000497765902 892368308 /nfs/dbraw/zinc/36/83/08/892368308.db2.gz JSBCMDBYLNGLEQ-HXUWFJFHSA-N 0 3 392.459 3.738 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194556854 893077480 /nfs/dbraw/zinc/07/74/80/893077480.db2.gz YROVFTOYBTXIFI-OAHLLOKOSA-N 0 3 386.452 3.555 20 5 GHBDHN C[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000877550963 893683514 /nfs/dbraw/zinc/68/35/14/893683514.db2.gz VHHPXBVSIVYCID-IDKOKCKLSA-N 0 3 389.765 3.913 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000536874597 893986804 /nfs/dbraw/zinc/98/68/04/893986804.db2.gz CWBDZJAFMKONPD-FZKQIMNGSA-N 0 3 387.411 3.955 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001135926345 895702168 /nfs/dbraw/zinc/70/21/68/895702168.db2.gz HZYGRNKIGNGXMS-LJQANCHMSA-N 0 3 389.883 3.772 20 5 GHBDHN Cc1c(CNC[C@@H](O)c2ccc(F)c(Br)c2)cccc1[N+](=O)[O-] ZINC000819258763 896547152 /nfs/dbraw/zinc/54/71/52/896547152.db2.gz ALPMOIUAQGRNAO-MRXNPFEDSA-N 0 3 383.217 3.628 20 5 GHBDHN C[C@@H]1CN(CCCCNc2cccc(Br)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000820675620 897457563 /nfs/dbraw/zinc/45/75/63/897457563.db2.gz JQBSWPKFVSFZRR-BETUJISGSA-N 0 3 386.290 3.659 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000043147840 898248885 /nfs/dbraw/zinc/24/88/85/898248885.db2.gz IYWSTAHKAQOKIR-UHFFFAOYSA-N 0 3 382.464 3.951 20 5 GHBDHN Cc1cc(F)cc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000133488401 898502347 /nfs/dbraw/zinc/50/23/47/898502347.db2.gz CIUBNRWVOAIFRS-UHFFFAOYSA-N 0 3 385.439 3.779 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000134110550 899587706 /nfs/dbraw/zinc/58/77/06/899587706.db2.gz SVCYLQXSXBGXPO-JKSUJKDBSA-N 0 3 393.484 3.599 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C[C@H]3c3ccc(F)cc3)o2)c1 ZINC000572383909 900164685 /nfs/dbraw/zinc/16/46/85/900164685.db2.gz SDCIRUSSMRQDNM-MOPGFXCFSA-N 0 3 397.406 3.739 20 5 GHBDHN CSCc1nnc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)[nH]1 ZINC000886327725 900937279 /nfs/dbraw/zinc/93/72/79/900937279.db2.gz QKQGTKCHRHGFJA-UHFFFAOYSA-N 0 3 375.479 3.594 20 5 GHBDHN COc1ccc(C[C@@H]2CCCCN2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000844738881 901217517 /nfs/dbraw/zinc/21/75/17/901217517.db2.gz RNNSTIOABNMMHK-KRWDZBQOSA-N 0 3 395.463 3.711 20 5 GHBDHN Cn1cc(CN2CCC=C(c3ccncc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000576433179 902019222 /nfs/dbraw/zinc/01/92/22/902019222.db2.gz LZRHCGSYDKTMFA-UHFFFAOYSA-N 0 3 375.432 3.680 20 5 GHBDHN CC1(C)C(=O)N[C@H]1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000576648257 902156967 /nfs/dbraw/zinc/15/69/67/902156967.db2.gz MSBSOQBXSJNSPA-IBGZPJMESA-N 0 3 383.448 3.591 20 5 GHBDHN COc1ccc(O[C@H](C)C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845873389 902475130 /nfs/dbraw/zinc/47/51/30/902475130.db2.gz CXDSMZLYOHNJLC-VFVRVIDISA-N 0 3 377.368 3.551 20 5 GHBDHN CC([C@@H](OC(=O)c1cc(Cl)nc(N(C)C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845873727 902475152 /nfs/dbraw/zinc/47/51/52/902475152.db2.gz FPDPKYWWMPRCTC-MGPLVRAMSA-N 0 3 381.791 3.503 20 5 GHBDHN CCc1nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000845878158 902482220 /nfs/dbraw/zinc/48/22/20/902482220.db2.gz RESJOGXIVJMRRV-FZKQIMNGSA-N 0 3 398.394 3.532 20 5 GHBDHN CC([C@H](OC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1F)[N+](=O)[O-] ZINC000845881151 902485155 /nfs/dbraw/zinc/48/51/55/902485155.db2.gz YJPZNPIKSXJCGP-DIFFPNOSSA-N 0 3 386.379 3.619 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)OCCc1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845883047 902487931 /nfs/dbraw/zinc/48/79/31/902487931.db2.gz RDVGFXBGNWDUQT-DOXZYTNZSA-N 0 3 375.396 3.723 20 5 GHBDHN Cc1c(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000845884080 902489764 /nfs/dbraw/zinc/48/97/64/902489764.db2.gz XGUGOUREHGWELV-KZULUSFZSA-N 0 3 376.340 3.535 20 5 GHBDHN Cc1cccc([C@H](O)CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC001171561258 904829303 /nfs/dbraw/zinc/82/93/03/904829303.db2.gz NYFUOFXUAJFXAG-KCZVDYSFSA-N 0 3 384.476 3.742 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(c3nc4ccccc4o3)CC1)CC2 ZINC001172911722 906020200 /nfs/dbraw/zinc/02/02/00/906020200.db2.gz VAKQNXNIWGADCO-GOSISDBHSA-N 0 3 392.459 3.806 20 5 GHBDHN CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177603761 906177104 /nfs/dbraw/zinc/17/71/04/906177104.db2.gz SIAHAWMGTUNDIX-LIRRHRJNSA-N 0 3 391.493 3.647 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CCOc3c(F)cccc32)c1F ZINC001173176514 906253220 /nfs/dbraw/zinc/25/32/20/906253220.db2.gz HPURIVSNIJGPHR-NHYWBVRUSA-N 0 3 378.375 3.926 20 5 GHBDHN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC000190803901 906318828 /nfs/dbraw/zinc/31/88/28/906318828.db2.gz RSNRQBKRRQDCKO-UHFFFAOYSA-N 0 3 396.491 3.994 20 5 GHBDHN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178646726 906367116 /nfs/dbraw/zinc/36/71/16/906367116.db2.gz KYWVACSPBMQLEP-HUUCEWRRSA-N 0 3 383.448 3.664 20 5 GHBDHN Cn1cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180600927 906799496 /nfs/dbraw/zinc/79/94/96/906799496.db2.gz QLRFOFFRUWCHJY-OALUTQOASA-N 0 3 396.447 3.676 20 5 GHBDHN Nc1cc2nc3ccccc3n(C3=CCCN(Cc4ccccc4)C3)c-2cc1=O ZINC001174394409 906999669 /nfs/dbraw/zinc/99/96/69/906999669.db2.gz JAHGNBPTYIEKMQ-UHFFFAOYSA-N 0 3 382.467 3.830 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000193686077 908631927 /nfs/dbraw/zinc/63/19/27/908631927.db2.gz BJSKVRKSMKTYEH-GOSISDBHSA-N 0 3 391.855 3.863 20 5 GHBDHN Cc1cc(F)cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000246132471 910122296 /nfs/dbraw/zinc/12/22/96/910122296.db2.gz VJHGSHWFWRGUDI-SCLBCKFNSA-N 0 3 391.468 3.917 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N(C)C)cc1 ZINC000252003926 914986056 /nfs/dbraw/zinc/98/60/56/914986056.db2.gz NUDIUJBNYIUIMV-GOSISDBHSA-N 0 3 375.856 3.843 20 5 GHBDHN CC(C)(C)OC(=O)Nc1ncc(CNCCc2cccc([N+](=O)[O-])c2)s1 ZINC000800252875 919786739 /nfs/dbraw/zinc/78/67/39/919786739.db2.gz HQSPFVVCYXWKDA-UHFFFAOYSA-N 0 3 378.454 3.731 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000367631656 922241276 /nfs/dbraw/zinc/24/12/76/922241276.db2.gz JBMMIHBHYRIOJT-NRFANRHFSA-N 0 3 383.448 3.599 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)o1 ZINC000373343683 926037179 /nfs/dbraw/zinc/03/71/79/926037179.db2.gz JUPKOPQOJKIAMR-IBGZPJMESA-N 0 3 382.420 3.524 20 5 GHBDHN COC(=O)NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000827933720 926309802 /nfs/dbraw/zinc/30/98/02/926309802.db2.gz CWWVPRWMZJJRFP-UHFFFAOYSA-N 0 3 375.450 3.644 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1ccco1 ZINC000412338104 927349256 /nfs/dbraw/zinc/34/92/56/927349256.db2.gz RSYKARVUNSVSKE-ZBFHGGJFSA-N 0 3 389.452 3.834 20 5 GHBDHN CN(CCCc1cc(-c2ccc(F)cc2)no1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750055966 927409443 /nfs/dbraw/zinc/40/94/43/927409443.db2.gz WRUUSHZIGMWOEO-OAQYLSRUSA-N 0 3 399.422 3.987 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@@H](c2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000544399141 929130474 /nfs/dbraw/zinc/13/04/74/929130474.db2.gz JCQYXYMHBDCSPR-GOSISDBHSA-N 0 3 375.450 3.734 20 5 GHBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000546056281 929811672 /nfs/dbraw/zinc/81/16/72/929811672.db2.gz PYKWHRXIVMLLBI-WIYYLYMNSA-N 0 3 385.464 3.646 20 5 GHBDHN CCOc1cccc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000546578342 930274473 /nfs/dbraw/zinc/27/44/73/930274473.db2.gz MOEZERRZOKWWRZ-IRXDYDNUSA-N 0 3 391.512 3.709 20 5 GHBDHN CC1(C)[C@@H](C(F)(F)F)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470000123 930306989 /nfs/dbraw/zinc/30/69/89/930306989.db2.gz PIBUNDVDZKBKIY-AWEZNQCLSA-N 0 3 387.358 3.556 20 5 GHBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1OC ZINC000759599088 930420331 /nfs/dbraw/zinc/42/03/31/930420331.db2.gz DJBVHLAHYPAKTN-XZJROXQQSA-N 0 3 383.876 3.759 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccco1 ZINC000557485880 931465517 /nfs/dbraw/zinc/46/55/17/931465517.db2.gz DKYZHUFOIYMNOI-TZMCWYRMSA-N 0 3 377.466 3.769 20 5 GHBDHN CC[C@@H](C)N[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000557693549 931615287 /nfs/dbraw/zinc/61/52/87/931615287.db2.gz KPJLXJRRQLIKMC-ZYHUDNBSSA-N 0 3 383.246 3.887 20 5 GHBDHN C/C(=C\C(=O)N(CCN(C)C)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000783998143 931748719 /nfs/dbraw/zinc/74/87/19/931748719.db2.gz TWLZKTOLHLHPAE-DTQAZKPQSA-N 0 3 385.439 3.728 20 5 GHBDHN CCc1ccc(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)cc1[N+](=O)[O-] ZINC000784732091 931991366 /nfs/dbraw/zinc/99/13/66/931991366.db2.gz ISPANOJPPHAFBA-UHFFFAOYSA-N 0 3 397.475 3.539 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1COC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000797475600 932296919 /nfs/dbraw/zinc/29/69/19/932296919.db2.gz FGEVCBWGFBNTMH-UHFFFAOYSA-N 0 3 398.459 3.949 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)N2CCC(C)CC2)n1 ZINC000561130817 933895367 /nfs/dbraw/zinc/89/53/67/933895367.db2.gz PGEZPBNDAKJUTA-IBGZPJMESA-N 0 3 398.463 3.662 20 5 GHBDHN CC(C)(CCC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)[N+](=O)[O-] ZINC000828974971 935749208 /nfs/dbraw/zinc/74/92/08/935749208.db2.gz MAIIHSROLRHHDM-SFHVURJKSA-N 0 3 397.466 3.832 20 5 GHBDHN CCc1cc(-n2c3ccccc3nc2[C@H](C)N)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155257227 1032473340 /nfs/dbraw/zinc/47/33/40/1032473340.db2.gz COWBUDQLBBYANH-ZDUSSCGKSA-N 0 3 388.431 3.973 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000562877702 1018741490 /nfs/dbraw/zinc/74/14/90/1018741490.db2.gz ZEEKQLQHIIFJAX-IBGZPJMESA-N 0 3 386.452 3.806 20 5 GHBDHN C[C@@H](N[C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000564415239 1019072071 /nfs/dbraw/zinc/07/20/71/1019072071.db2.gz QZQCUTJWKLAUTO-FOIQADDNSA-N 0 3 395.459 3.606 20 5 GHBDHN COc1cccc([C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000041595903 1019243303 /nfs/dbraw/zinc/24/33/03/1019243303.db2.gz UXUYETNDHKROHY-ZDKIGPTLSA-N 0 3 395.459 3.570 20 5 GHBDHN COc1ccc(CN2CCCC[C@@H]2CN(C)c2ncc(F)cc2[N+](=O)[O-])cc1 ZINC001156293833 1032962936 /nfs/dbraw/zinc/96/29/36/1032962936.db2.gz IFONVSKDBZNOKR-QGZVFWFLSA-N 0 3 388.443 3.628 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000834877908 1021599929 /nfs/dbraw/zinc/59/99/29/1021599929.db2.gz NHXXPRWEJOEVMI-MJBXVCDLSA-N 0 3 381.473 3.946 20 5 GHBDHN COC(=O)c1c(O[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001229046546 1033247395 /nfs/dbraw/zinc/24/73/95/1033247395.db2.gz SZKAFRIGUFSNES-HNAYVOBHSA-N 0 3 384.432 3.671 20 5 GHBDHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000838512797 1025184822 /nfs/dbraw/zinc/18/48/22/1025184822.db2.gz JNJGWJKRJAFOTK-UHFFFAOYSA-N 0 3 396.900 3.583 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC001162206022 1025669269 /nfs/dbraw/zinc/66/92/69/1025669269.db2.gz NQOSOBXXZBRKSE-SFHVURJKSA-N 0 3 375.400 3.544 20 5 GHBDHN Cc1nc(-n2c3ccccc3nc2[C@H](C)N)c([N+](=O)[O-])c(C)c1Br ZINC001162778009 1025916060 /nfs/dbraw/zinc/91/60/60/1025916060.db2.gz WZGPQVAFPQQXLV-VIFPVBQESA-N 0 3 390.241 3.728 20 5 GHBDHN CN(C)Cc1cccc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1 ZINC000839861891 1026317047 /nfs/dbraw/zinc/31/70/47/1026317047.db2.gz BEEIKMWPPKIZDH-MRXNPFEDSA-N 0 3 399.344 3.829 20 5 GHBDHN C[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1Cc1ccccc1 ZINC001165202791 1026664503 /nfs/dbraw/zinc/66/45/03/1026664503.db2.gz OXKCXMRMGOBRCT-CVEARBPZSA-N 0 3 377.448 3.637 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC001141775929 1027216486 /nfs/dbraw/zinc/21/64/86/1027216486.db2.gz XHUQPKKEJCBCFE-QFBILLFUSA-N 0 3 397.475 3.775 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000841024410 1028049986 /nfs/dbraw/zinc/04/99/86/1028049986.db2.gz STQYTYHKNZBRAB-UFGBVDADSA-N 0 3 391.471 3.841 20 5 GHBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001461396096 1069532188 /nfs/dbraw/zinc/53/21/88/1069532188.db2.gz YVUBNRVBUWWOFP-KRWDZBQOSA-N 0 3 390.411 3.835 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001142848341 1029578484 /nfs/dbraw/zinc/57/84/84/1029578484.db2.gz IHRKINBGJPPSCO-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC001222693417 1030280763 /nfs/dbraw/zinc/28/07/63/1030280763.db2.gz QYMYSSUGUAFCAE-UTKZUKDTSA-N 0 3 398.507 3.908 20 5 GHBDHN C[S@](=O)[C@@H]1CC[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001461804030 1069758514 /nfs/dbraw/zinc/75/85/14/1069758514.db2.gz DUORUXMRNNAFMB-YSDYUQAISA-N 0 3 382.869 3.897 20 5 GHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001205658439 1033513142 /nfs/dbraw/zinc/51/31/42/1033513142.db2.gz FGDOQZLZWNCHIM-HNNXBMFYSA-N 0 3 390.871 3.851 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001206034503 1033696487 /nfs/dbraw/zinc/69/64/87/1033696487.db2.gz NNPNKQIIVDKDKD-CRAIPNDOSA-N 0 3 382.464 3.942 20 5 GHBDHN O=[N+]([O-])c1sc(CNCC[C@H]2COc3ccccc3O2)cc1Br ZINC001206327446 1033798494 /nfs/dbraw/zinc/79/84/94/1033798494.db2.gz AYUIYCYQZXSAQU-JTQLQIEISA-N 0 3 399.266 3.739 20 5 GHBDHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNCc1ccc([N+](=O)[O-])cc1F ZINC001207527602 1034430868 /nfs/dbraw/zinc/43/08/68/1034430868.db2.gz RCJOAOSGUGUYLB-UKRRQHHQSA-N 0 3 381.448 3.717 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001461971343 1069922784 /nfs/dbraw/zinc/92/27/84/1069922784.db2.gz SJEMBBOFQZFESZ-MRXNPFEDSA-N 0 3 377.485 3.948 20 5 GHBDHN COc1ccccc1C1(NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC001254146116 1040009093 /nfs/dbraw/zinc/00/90/93/1040009093.db2.gz ZXLCUAICJIWSDO-UHFFFAOYSA-N 0 3 383.448 3.909 20 5 GHBDHN CC(=O)Nc1ccc(C(C)=O)c(O[C@@H](CCN(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC001234684729 1040216330 /nfs/dbraw/zinc/21/63/30/1040216330.db2.gz VMJOOEKQOUCYSF-IBGZPJMESA-N 0 3 399.447 3.828 20 5 GHBDHN CC1(C)CCC(O)(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC001462451570 1070262672 /nfs/dbraw/zinc/26/26/72/1070262672.db2.gz CTSNDMSSYMLNCH-UHFFFAOYSA-N 0 3 377.304 3.840 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001254551502 1040319099 /nfs/dbraw/zinc/31/90/99/1040319099.db2.gz CHSRQDHIJACZRA-MGPUTAFESA-N 0 3 375.469 3.611 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001254554297 1040323116 /nfs/dbraw/zinc/32/31/16/1040323116.db2.gz BOFIIEHZWAPFNY-ZHODDXKCSA-N 0 3 397.475 3.622 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001254560861 1040334478 /nfs/dbraw/zinc/33/44/78/1040334478.db2.gz ICSDLPMFVTVUDJ-KRWDZBQOSA-N 0 3 397.475 3.890 20 5 GHBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001462538685 1070340305 /nfs/dbraw/zinc/34/03/05/1070340305.db2.gz MZOYKYPNXDFCSM-IBGZPJMESA-N 0 3 397.475 3.730 20 5 GHBDHN C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC001296715302 1045360482 /nfs/dbraw/zinc/36/04/82/1045360482.db2.gz IFJQVZHIPCTJHT-PIGZYNQJSA-N 0 3 379.819 3.809 20 5 GHBDHN COc1c(O)ccc(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001262356264 1046245955 /nfs/dbraw/zinc/24/59/55/1046245955.db2.gz WNSSJWXGWJYFMZ-YLJYHZDGSA-N 0 3 386.448 3.909 20 5 GHBDHN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CCN(C4CCCCC4)CC3)c2c1 ZINC001307075562 1049055951 /nfs/dbraw/zinc/05/59/51/1049055951.db2.gz VCPVICONWMHNOP-UHFFFAOYSA-N 0 3 385.424 3.506 20 5 GHBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c2ccccc21 ZINC001307094490 1049070546 /nfs/dbraw/zinc/07/05/46/1049070546.db2.gz WGNAWJSPJBWHRB-GOSISDBHSA-N 0 3 392.459 3.846 20 5 GHBDHN CN1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CCC1(C)C ZINC001307178418 1049121006 /nfs/dbraw/zinc/12/10/06/1049121006.db2.gz IOQATPIQIQGZFP-UHFFFAOYSA-N 0 3 382.333 3.564 20 5 GHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001307502232 1049343556 /nfs/dbraw/zinc/34/35/56/1049343556.db2.gz UMTXCSRXWAHWFQ-MSOLQXFVSA-N 0 3 396.491 3.518 20 5 GHBDHN CC(C)c1ccc(CC2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC001307655239 1049480372 /nfs/dbraw/zinc/48/03/72/1049480372.db2.gz WGIXMORITBAGQO-UHFFFAOYSA-N 0 3 383.492 3.835 20 5 GHBDHN CN(CCOc1ccccc1Br)CCc1ccccc1[N+](=O)[O-] ZINC001307761981 1049575412 /nfs/dbraw/zinc/57/54/12/1049575412.db2.gz WHCZBXLYVDMLMW-UHFFFAOYSA-N 0 3 379.254 3.911 20 5 GHBDHN CN1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC12CCCCC2 ZINC001307782802 1049588897 /nfs/dbraw/zinc/58/88/97/1049588897.db2.gz IXVWCPVGVMWLPN-UHFFFAOYSA-N 0 3 382.302 3.808 20 5 GHBDHN C[C@@H]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001307857042 1049638817 /nfs/dbraw/zinc/63/88/17/1049638817.db2.gz AUPCHBNKCBQBQD-HLLBOEOZSA-N 0 3 377.485 3.966 20 5 GHBDHN C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001308004952 1049752554 /nfs/dbraw/zinc/75/25/54/1049752554.db2.gz FJMZZOAPASJCOW-IBGZPJMESA-N 0 3 393.846 3.646 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308443898 1049977701 /nfs/dbraw/zinc/97/77/01/1049977701.db2.gz CHXZGSPHHRHIHF-IRXDYDNUSA-N 0 3 393.484 3.775 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3ccc(C(F)(F)F)n3)o2)cc1 ZINC001308510028 1049993580 /nfs/dbraw/zinc/99/35/80/1049993580.db2.gz IUGKMJVGVYYEQO-UHFFFAOYSA-N 0 3 380.326 3.860 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCCCN3Cc3ccccc3)nc2c1 ZINC001308904283 1050152214 /nfs/dbraw/zinc/15/22/14/1050152214.db2.gz JXGLVSKCEDAPCN-GOSISDBHSA-N 0 3 380.448 3.880 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001310945756 1051723861 /nfs/dbraw/zinc/72/38/61/1051723861.db2.gz XUKOUVLZZKUBKR-CRAIPNDOSA-N 0 3 398.463 3.636 20 5 GHBDHN CC1(C)CN(CCNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCO1 ZINC001318419391 1054625915 /nfs/dbraw/zinc/62/59/15/1054625915.db2.gz LAPYEORAXXTOHI-UHFFFAOYSA-N 0 3 393.871 3.709 20 5 GHBDHN Cn1cc([C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2)cn1 ZINC001320967978 1056036976 /nfs/dbraw/zinc/03/69/76/1056036976.db2.gz VERVMWIOJGPVJF-JOCHJYFZSA-N 0 3 391.475 3.676 20 5 GHBDHN CC(C)N(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@H]1CCC(=O)N1 ZINC001325289548 1057306594 /nfs/dbraw/zinc/30/65/94/1057306594.db2.gz ITWTWHAAPRWKSS-CQSZACIVSA-N 0 3 391.855 3.997 20 5 GHBDHN Cc1c(Br)cc(-c2nc([C@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001325470897 1057332236 /nfs/dbraw/zinc/33/22/36/1057332236.db2.gz SPDUURLKLKRXAR-LBPRGKRZSA-N 0 3 393.241 3.525 20 5 GHBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H](c1cccs1)N1CCCC1 ZINC001440672922 1058573329 /nfs/dbraw/zinc/57/33/29/1058573329.db2.gz CQEQHCDWZISTJK-INIZCTEOSA-N 0 3 393.896 3.806 20 5 GHBDHN COc1cc(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC001450788251 1060689591 /nfs/dbraw/zinc/68/95/91/1060689591.db2.gz BNGPVQVJWFPALH-HXUWFJFHSA-N 0 3 399.491 3.835 20 5 GHBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001455071693 1061992707 /nfs/dbraw/zinc/99/27/07/1061992707.db2.gz NMAUGCZLUPSZGJ-LJQANCHMSA-N 0 3 396.491 3.763 20 5 GHBDHN Cc1cccc(C2(NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CCCC2)c1 ZINC001459752213 1064200773 /nfs/dbraw/zinc/20/07/73/1064200773.db2.gz DOARLGKXXPXYEJ-UHFFFAOYSA-N 0 3 379.460 3.851 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCCC2 ZINC001460064771 1064390958 /nfs/dbraw/zinc/39/09/58/1064390958.db2.gz KQNKELFFAKHMTK-IAGOWNOFSA-N 0 3 395.887 3.904 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC001353486009 1065971079 /nfs/dbraw/zinc/97/10/79/1065971079.db2.gz GPGLHTXYDHNMPM-GOSISDBHSA-N 0 3 375.428 3.853 20 5 GHBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[C@H](C)C1 ZINC001468771817 1067875535 /nfs/dbraw/zinc/87/55/35/1067875535.db2.gz YLBZLBZADPMMBW-MRXNPFEDSA-N 0 3 383.448 3.943 20 5 GHBDHN C[C@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001471326844 1073019723 /nfs/dbraw/zinc/01/97/23/1073019723.db2.gz LRYHPCPBVXLOLB-SFHVURJKSA-N 0 3 398.507 3.862 20 5 GHBDHN O=[N+]([O-])c1c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc2cnccc21 ZINC001472756328 1073652879 /nfs/dbraw/zinc/65/28/79/1073652879.db2.gz CNPQVPBBLXWUAH-LJQANCHMSA-N 0 3 392.459 3.846 20 5 GHBDHN CCOc1cc(NC2(CN3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-] ZINC001472830966 1073685443 /nfs/dbraw/zinc/68/54/43/1073685443.db2.gz HBQXCAXOTVKTAX-UHFFFAOYSA-N 0 3 396.491 3.760 20 5 GHBDHN COC(=O)/C=C/c1ccc(N[C@@H]2CCN(Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859333 1073697781 /nfs/dbraw/zinc/69/77/81/1073697781.db2.gz FWEMLBTXYPXULH-LHUXKHBRSA-N 0 3 395.459 3.776 20 5 GHBDHN CC[C@@H](Cc1ccccc1)N(CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473269698 1073900418 /nfs/dbraw/zinc/90/04/18/1073900418.db2.gz HHPHULVRUUSODS-IBGZPJMESA-N 0 3 381.476 3.827 20 5 GHBDHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473507329 1073994187 /nfs/dbraw/zinc/99/41/87/1073994187.db2.gz XGICMXMHKULCOE-QINHECLXSA-N 0 3 379.460 3.750 20 5 GHBDHN Cc1c(CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001473849776 1074174447 /nfs/dbraw/zinc/17/44/47/1074174447.db2.gz KBXYBICMSCNGLR-ZBFHGGJFSA-N 0 3 377.485 3.886 20 5 GHBDHN COc1ccc(CN[C@H]2CCN(c3ccc(Cl)cc3F)C2)cc1[N+](=O)[O-] ZINC001474229724 1074301224 /nfs/dbraw/zinc/30/12/24/1074301224.db2.gz AXGMMCHZUXHQPW-AWEZNQCLSA-N 0 3 379.819 3.764 20 5 GHBDHN CN1CCn2nc(NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2C1 ZINC001474246228 1074308451 /nfs/dbraw/zinc/30/84/51/1074308451.db2.gz YHKDSDUZKSFLJE-UHFFFAOYSA-N 0 3 387.827 3.762 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001474612580 1074484122 /nfs/dbraw/zinc/48/41/22/1074484122.db2.gz MCGXLADQPBRUQG-PKTZIBPZSA-N 0 3 395.503 3.687 20 5 GHBDHN O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cc1 ZINC000738358178 598887805 /nfs/dbraw/zinc/88/78/05/598887805.db2.gz AEXORLDIVOBOFA-UHFFFAOYSA-N 0 3 392.444 3.793 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000136166250 835314343 /nfs/dbraw/zinc/31/43/43/835314343.db2.gz XKIBHQWPSVUPFE-QGZVFWFLSA-N 0 3 375.856 3.843 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173969078 836348120 /nfs/dbraw/zinc/34/81/20/836348120.db2.gz AXMOHDBJHCRNSQ-ZFWWWQNUSA-N 0 3 387.402 3.779 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000121131989 838555983 /nfs/dbraw/zinc/55/59/83/838555983.db2.gz MUIMQLDWCISSED-GFCCVEGCSA-N 0 3 377.828 3.764 20 5 GHBDHN CCCN1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000548035436 838636479 /nfs/dbraw/zinc/63/64/79/838636479.db2.gz JACQPOGSPSKWTA-UHFFFAOYSA-N 0 3 399.441 3.564 20 5 GHBDHN COc1ccc(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541105552 839187980 /nfs/dbraw/zinc/18/79/80/839187980.db2.gz BDNJMGTUGUQDHX-WMLDXEAASA-N 0 3 384.436 3.560 20 5 GHBDHN C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000108442501 841616053 /nfs/dbraw/zinc/61/60/53/841616053.db2.gz NJJAUNMRFPKFBQ-RHSMWYFYSA-N 0 3 388.493 3.854 20 5 GHBDHN COC[C@@H](C)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000510434271 841701282 /nfs/dbraw/zinc/70/12/82/841701282.db2.gz CKYMOWGWFFTDFB-MRXNPFEDSA-N 0 3 380.448 3.914 20 5 GHBDHN CCOc1cc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000136921854 842018903 /nfs/dbraw/zinc/01/89/03/842018903.db2.gz ODYCSTCEFFNDOY-MRXNPFEDSA-N 0 3 396.390 3.760 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229020 861350338 /nfs/dbraw/zinc/35/03/38/861350338.db2.gz NPPGZXAVBCKJIB-PBHICJAKSA-N 0 3 377.510 3.599 20 5 GHBDHN CC(C)NC(=O)c1ccc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302835190 861380657 /nfs/dbraw/zinc/38/06/57/861380657.db2.gz UVUNVRASBLWVNK-QUCCMNQESA-N 0 3 382.464 3.590 20 5 GHBDHN Cc1ccc([C@H](C)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000119481087 845380204 /nfs/dbraw/zinc/38/02/04/845380204.db2.gz HUWFBJKGRSZZBS-FXAWDEMLSA-N 0 3 381.476 3.788 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000182656049 845519861 /nfs/dbraw/zinc/51/98/61/845519861.db2.gz FHVMZMSESRFQLH-KRWDZBQOSA-N 0 3 391.512 3.608 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(CO)CC(c3ccccc3)C2)c1 ZINC000433181242 845619485 /nfs/dbraw/zinc/61/94/85/845619485.db2.gz ZWSAHIXAQWRQEL-UHFFFAOYSA-N 0 3 392.402 3.842 20 5 GHBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Oc1ccccc1 ZINC000539259441 846050078 /nfs/dbraw/zinc/05/00/78/846050078.db2.gz SWWJGRREUWXWJA-MRXNPFEDSA-N 0 3 379.416 3.900 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000731466758 861639384 /nfs/dbraw/zinc/63/93/84/861639384.db2.gz AEMZZCOFOQYWBO-YOEHRIQHSA-N 0 3 385.489 3.595 20 5 GHBDHN CC[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000582099377 846353344 /nfs/dbraw/zinc/35/33/44/846353344.db2.gz GBLLLNMGNCHDCV-OXJNMPFZSA-N 0 3 381.476 3.651 20 5 GHBDHN CN(C)CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000513714486 846919924 /nfs/dbraw/zinc/91/99/24/846919924.db2.gz DCNGMMABYRSHQZ-UHFFFAOYSA-N 0 3 385.411 3.533 20 5 GHBDHN C[C@H](C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000582460805 847309338 /nfs/dbraw/zinc/30/93/38/847309338.db2.gz HQQQHTXTPGJFEB-UWJYYQICSA-N 0 3 381.476 3.821 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H](CO)c1ccc(Br)cc1 ZINC000503247314 847515613 /nfs/dbraw/zinc/51/56/13/847515613.db2.gz RQUUPTYKGJNHKI-IMMZDGJCSA-N 0 3 377.238 3.694 20 5 GHBDHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000178815735 849313133 /nfs/dbraw/zinc/31/31/33/849313133.db2.gz OXDRNKWGTKMFCL-INIZCTEOSA-N 0 3 397.460 3.552 20 5 GHBDHN CN(C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000583326864 849641814 /nfs/dbraw/zinc/64/18/14/849641814.db2.gz QDHQNLSCJXQQMV-INIZCTEOSA-N 0 3 380.807 3.812 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000518782758 850091033 /nfs/dbraw/zinc/09/10/33/850091033.db2.gz KZHURXFQEVGRIW-JJRVBVJISA-N 0 3 377.510 3.509 20 5 GHBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)N(C)C)cc1OC ZINC000514693104 850180537 /nfs/dbraw/zinc/18/05/37/850180537.db2.gz REVTYYURIJRZLJ-SFHVURJKSA-N 0 3 396.447 3.875 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N(C)C)cc1 ZINC000121192813 862116956 /nfs/dbraw/zinc/11/69/56/862116956.db2.gz HEOORBGFNQSCBN-NRFANRHFSA-N 0 3 396.491 3.880 20 5 GHBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000519148373 850693399 /nfs/dbraw/zinc/69/33/99/850693399.db2.gz ITIHNNZGROUDRP-UHFFFAOYSA-N 0 3 384.480 3.998 20 5 GHBDHN C[C@H]1CCN(C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487757311 850893382 /nfs/dbraw/zinc/89/33/82/850893382.db2.gz ZBELOZKZJCPMMC-HNNXBMFYSA-N 0 3 385.489 3.912 20 5 GHBDHN COc1cccc(CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)c1 ZINC000604442773 862180902 /nfs/dbraw/zinc/18/09/02/862180902.db2.gz JIGCLFMNQIGGRS-OAQYLSRUSA-N 0 3 386.448 3.663 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(F)(c2ccccc2)CC1 ZINC000434490834 851177181 /nfs/dbraw/zinc/17/71/81/851177181.db2.gz FMCWDLZDWZJBQZ-UHFFFAOYSA-N 0 3 399.422 3.854 20 5 GHBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436134148 851244693 /nfs/dbraw/zinc/24/46/93/851244693.db2.gz PHCFHSOTMLYDHB-BBWFWOEESA-N 0 3 391.515 3.778 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489330142 852235975 /nfs/dbraw/zinc/23/59/75/852235975.db2.gz MZDNDGPDJOOLBU-FXAWDEMLSA-N 0 3 396.491 3.928 20 5 GHBDHN Cc1cc(F)cc(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000150852568 852470574 /nfs/dbraw/zinc/47/05/74/852470574.db2.gz VJHGSHWFWRGUDI-ACJLOTCBSA-N 0 3 391.468 3.917 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000507628687 853124581 /nfs/dbraw/zinc/12/45/81/853124581.db2.gz GFSXAKMWJLEIHE-DOTOQJQBSA-N 0 3 385.489 3.639 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000490964654 853375753 /nfs/dbraw/zinc/37/57/53/853375753.db2.gz BVHNCRHRGUGZHE-LPHOPBHVSA-N 0 3 396.491 3.792 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)N(C)C)cc1 ZINC000517198017 853486380 /nfs/dbraw/zinc/48/63/80/853486380.db2.gz JPSAQOALPRJZIC-OAHLLOKOSA-N 0 3 379.507 3.719 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000171586112 862495443 /nfs/dbraw/zinc/49/54/43/862495443.db2.gz PVYVZFOYCHDEKP-HNNXBMFYSA-N 0 3 393.484 3.599 20 5 GHBDHN O=C(Nc1ccccc1)NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055052241 855292856 /nfs/dbraw/zinc/29/28/56/855292856.db2.gz SLTYEWIRQZSXQK-UHFFFAOYSA-N 0 3 398.463 3.650 20 5 GHBDHN COC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000765848116 855554264 /nfs/dbraw/zinc/55/42/64/855554264.db2.gz FQQOJYKOOPEJGY-DLBZAZTESA-N 0 3 384.354 3.624 20 5 GHBDHN COc1ccc(NC(=O)CCN2C[C@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591026248 855746024 /nfs/dbraw/zinc/74/60/24/855746024.db2.gz ZPSJDYGGYVQOPR-NWDGAFQWSA-N 0 3 389.374 3.595 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000591026171 855746322 /nfs/dbraw/zinc/74/63/22/855746322.db2.gz CMETWPPPEMQZBR-RYUDHWBXSA-N 0 3 389.374 3.595 20 5 GHBDHN COc1cc(CN[C@@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000592380960 856825809 /nfs/dbraw/zinc/82/58/09/856825809.db2.gz WVOYBRUFSCMLIU-MWLCHTKSSA-N 0 3 380.388 3.528 20 5 GHBDHN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000173312394 856849565 /nfs/dbraw/zinc/84/95/65/856849565.db2.gz OBUSMKFYDJRACF-ZDUSSCGKSA-N 0 3 395.381 3.864 20 5 GHBDHN Cc1ccc(C[C@@H]2CCCN2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000733300249 862845539 /nfs/dbraw/zinc/84/55/39/862845539.db2.gz LIEWHTJQAIIMAW-IBGZPJMESA-N 0 3 377.448 3.826 20 5 GHBDHN C[C@H](NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173349873 856877671 /nfs/dbraw/zinc/87/76/71/856877671.db2.gz CELOXDOTZHMMSV-LRDDRELGSA-N 0 3 384.354 3.704 20 5 GHBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000113092274 857312324 /nfs/dbraw/zinc/31/23/24/857312324.db2.gz YQKCAXRFRRNAQB-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN COc1cc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cc([N+](=O)[O-])c1C ZINC001128250669 857391955 /nfs/dbraw/zinc/39/19/55/857391955.db2.gz YICNARJZPBAZKF-IBGZPJMESA-N 0 3 399.491 3.798 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001128251045 857392783 /nfs/dbraw/zinc/39/27/83/857392783.db2.gz IZHIPXZMNNUVLF-KVDXNUTJSA-N 0 3 381.476 3.881 20 5 GHBDHN COc1cccc([C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000301746340 857532381 /nfs/dbraw/zinc/53/23/81/857532381.db2.gz PMGAAXQLWSTTTQ-KRWDZBQOSA-N 0 3 376.844 3.901 20 5 GHBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000593871581 857752064 /nfs/dbraw/zinc/75/20/64/857752064.db2.gz LHUKCWOKQJGJLG-QZTJIDSGSA-N 0 3 391.515 3.534 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301859115 858320230 /nfs/dbraw/zinc/32/02/30/858320230.db2.gz CXKGJIQNAYHAAM-HOTGVXAUSA-N 0 3 395.381 3.661 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCC(=O)N1CCc2ccccc21 ZINC000595020028 858353087 /nfs/dbraw/zinc/35/30/87/858353087.db2.gz UJLKVJZCWKXAHG-OAHLLOKOSA-N 0 3 383.448 3.624 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCNCc2ccccc2OCc2ccncc2)cc1 ZINC000521861292 858386935 /nfs/dbraw/zinc/38/69/35/858386935.db2.gz KKRJYYYNXIMHTQ-UHFFFAOYSA-N 0 3 379.416 3.737 20 5 GHBDHN Cc1cc(N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c([N+](=O)[O-])s1 ZINC000856535400 881345752 /nfs/dbraw/zinc/34/57/52/881345752.db2.gz XVVKKIAPOGRKBK-KRWDZBQOSA-N 0 3 390.509 3.858 20 5 GHBDHN Cn1nccc1[C@@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281437123 863036497 /nfs/dbraw/zinc/03/64/97/863036497.db2.gz PPNCUIISZIMLIQ-SFHVURJKSA-N 0 3 381.436 3.753 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000184909188 858630607 /nfs/dbraw/zinc/63/06/07/858630607.db2.gz IAVHLXZSFMBIAK-DUXKGJEZSA-N 0 3 381.476 3.725 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000595778147 858684422 /nfs/dbraw/zinc/68/44/22/858684422.db2.gz PTIPCBOWCJKSCC-HZPDHXFCSA-N 0 3 375.469 3.558 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)ccn1 ZINC000856535719 881346503 /nfs/dbraw/zinc/34/65/03/881346503.db2.gz GFXNECHKVSOBIU-GOSISDBHSA-N 0 3 388.443 3.627 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)ccn1 ZINC000856535721 881346744 /nfs/dbraw/zinc/34/67/44/881346744.db2.gz GFXNECHKVSOBIU-SFHVURJKSA-N 0 3 388.443 3.627 20 5 GHBDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000060371642 859128732 /nfs/dbraw/zinc/12/87/32/859128732.db2.gz FBTATGZGCNLPQE-UHFFFAOYSA-N 0 3 386.427 3.517 20 5 GHBDHN CC(C)[C@@H](O)[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000597223804 859375022 /nfs/dbraw/zinc/37/50/22/859375022.db2.gz ZZKLKLLXIHDWIW-FCHUYYIVSA-N 0 3 394.475 3.843 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129648300 859579893 /nfs/dbraw/zinc/57/98/93/859579893.db2.gz AMLCLAYEKDGOMH-PIGZYNQJSA-N 0 3 395.431 3.747 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NCC2(C3(O)CCOCC3)CC2)c2ccccc2)c1 ZINC000903348049 859628847 /nfs/dbraw/zinc/62/88/47/859628847.db2.gz VLEMDPZZFONNOI-HXUWFJFHSA-N 0 3 382.460 3.596 20 5 GHBDHN Cc1c(Br)c(N2CCC[C@H](N3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000543449099 859753576 /nfs/dbraw/zinc/75/35/76/859753576.db2.gz BALRHLVUNCNNPT-SCRDCRAPSA-N 0 3 397.317 3.902 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c(F)c1 ZINC000611497855 859785671 /nfs/dbraw/zinc/78/56/71/859785671.db2.gz OFTFOIPQVITIKU-QGZVFWFLSA-N 0 3 378.407 3.838 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H](c2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC000474347155 859892612 /nfs/dbraw/zinc/89/26/12/859892612.db2.gz DLLLMNXPKHXYOM-NRFANRHFSA-N 0 3 384.432 3.696 20 5 GHBDHN C[C@@H](NCc1ccc(C(N)=O)nc1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000484305152 859923818 /nfs/dbraw/zinc/92/38/18/859923818.db2.gz UTZDSKWBSMFUOJ-GFCCVEGCSA-N 0 3 382.445 3.668 20 5 GHBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542659922 860197268 /nfs/dbraw/zinc/19/72/68/860197268.db2.gz SVKAKIOTMPLRJP-OAHLLOKOSA-N 0 3 391.537 3.949 20 5 GHBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000602805256 860289600 /nfs/dbraw/zinc/28/96/00/860289600.db2.gz NPKAAUUIVWNRBR-SFHVURJKSA-N 0 3 385.855 3.722 20 5 GHBDHN Cc1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1-n1cncn1 ZINC000130723745 860446257 /nfs/dbraw/zinc/44/62/57/860446257.db2.gz NJEKWZWVNPIIQI-UHFFFAOYSA-N 0 3 393.447 3.527 20 5 GHBDHN CN1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301426652 860567978 /nfs/dbraw/zinc/56/79/78/860567978.db2.gz PCQQFQJAXJHQBD-DGCLKSJQSA-N 0 3 377.495 3.861 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474779502 860763816 /nfs/dbraw/zinc/76/38/16/860763816.db2.gz JAGYRNGQHTUEIN-SWLSCSKDSA-N 0 3 391.269 4.000 20 5 GHBDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444032260 863177489 /nfs/dbraw/zinc/17/74/89/863177489.db2.gz OVDYRGLVAYLELK-HNNXBMFYSA-N 0 3 395.478 3.815 20 5 GHBDHN COc1c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000475121656 864254508 /nfs/dbraw/zinc/25/45/08/864254508.db2.gz RIXJVEQCEJQYSF-HXUWFJFHSA-N 0 3 397.475 3.806 20 5 GHBDHN C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475128500 864267047 /nfs/dbraw/zinc/26/70/47/864267047.db2.gz IKROHYRQUJPGMP-OXJNMPFZSA-N 0 3 382.464 3.572 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000072206300 864800317 /nfs/dbraw/zinc/80/03/17/864800317.db2.gz RUMNPVDNHZYDSC-WDZFZDKYSA-N 0 3 394.475 3.697 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740882841 866071145 /nfs/dbraw/zinc/07/11/45/866071145.db2.gz LLYKJFDDSYYZOI-FSPWUOQZSA-N 0 3 395.887 3.712 20 5 GHBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000183154051 866284139 /nfs/dbraw/zinc/28/41/39/866284139.db2.gz PZBYYQOEVRWPED-CABCVRRESA-N 0 3 393.447 3.767 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000183267471 866506616 /nfs/dbraw/zinc/50/66/16/866506616.db2.gz XHVJYOIICYSLGY-UHFFFAOYSA-N 0 3 385.439 3.571 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000553025906 866642604 /nfs/dbraw/zinc/64/26/04/866642604.db2.gz SHHGXHUCSHREJP-PBHICJAKSA-N 0 3 394.880 3.815 20 5 GHBDHN CN(CCOc1ccc(F)cc1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000121468636 866823279 /nfs/dbraw/zinc/82/32/79/866823279.db2.gz JVUPFJFDLZFZKD-UHFFFAOYSA-N 0 3 384.411 3.645 20 5 GHBDHN Cc1ccccc1C[C@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742149323 867102781 /nfs/dbraw/zinc/10/27/81/867102781.db2.gz KGUAUFIFRDBDRG-LJQANCHMSA-N 0 3 377.448 3.826 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000444926672 867474312 /nfs/dbraw/zinc/47/43/12/867474312.db2.gz XZVRDWGYFBPPGU-GOSISDBHSA-N 0 3 384.436 3.562 20 5 GHBDHN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(CCN1CCCC1)c1ccccc1 ZINC000523538204 867485802 /nfs/dbraw/zinc/48/58/02/867485802.db2.gz VWWKVUGJUGZESB-UHFFFAOYSA-N 0 3 378.432 3.819 20 5 GHBDHN C[C@@H]1C[C@H](CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000491240485 868703916 /nfs/dbraw/zinc/70/39/16/868703916.db2.gz ZXAWUPHIGXDWNO-ZIAGYGMSSA-N 0 3 387.402 3.551 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(F)c1 ZINC000479927435 868738539 /nfs/dbraw/zinc/73/85/39/868738539.db2.gz RAQIWSWAWXUUAV-IBGZPJMESA-N 0 3 393.846 3.550 20 5 GHBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000744393978 868788322 /nfs/dbraw/zinc/78/83/22/868788322.db2.gz WHCQMAYYMPLAJS-NQIIRXRSSA-N 0 3 386.448 3.570 20 5 GHBDHN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000445951813 869216113 /nfs/dbraw/zinc/21/61/13/869216113.db2.gz FNQUZPMLEOQAKD-OAQYLSRUSA-N 0 3 381.476 3.650 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000462414442 869396190 /nfs/dbraw/zinc/39/61/90/869396190.db2.gz LZUFOXUJQZDMEE-VQTJNVASSA-N 0 3 381.476 3.554 20 5 GHBDHN CCN1CC[C@H](N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000462871860 870264083 /nfs/dbraw/zinc/26/40/83/870264083.db2.gz INVSMBQABPJSJC-LPHOPBHVSA-N 0 3 381.476 3.992 20 5 GHBDHN CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000525408859 870644176 /nfs/dbraw/zinc/64/41/76/870644176.db2.gz PYDKBALMZVKGMQ-NXHRZFHOSA-N 0 3 386.452 3.670 20 5 GHBDHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)N(C)C)c1 ZINC000462116671 871645329 /nfs/dbraw/zinc/64/53/29/871645329.db2.gz PLEQEZQYNZZHKD-MRXNPFEDSA-N 0 3 381.379 3.920 20 5 GHBDHN Cc1cc(N2CCCc3ccc(CN)nc32)c([N+](=O)[O-])cc1Br ZINC001169590273 871652091 /nfs/dbraw/zinc/65/20/91/871652091.db2.gz DBUDMHPXCRZIEX-UHFFFAOYSA-N 0 3 377.242 3.604 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccccc2Br)n1 ZINC000447538801 871806535 /nfs/dbraw/zinc/80/65/35/871806535.db2.gz DJFAGDQNXWJPSE-CABCVRRESA-N 0 3 379.258 3.827 20 5 GHBDHN CCC[C@H](NCCOc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000153113785 882613775 /nfs/dbraw/zinc/61/37/75/882613775.db2.gz KFCBLPPAPGJYDC-IBGZPJMESA-N 0 3 392.477 3.508 20 5 GHBDHN C[C@H](C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000527194636 872763863 /nfs/dbraw/zinc/76/38/63/872763863.db2.gz UZAGLBUKNJVVGN-VWDMACCTSA-N 0 3 399.413 3.620 20 5 GHBDHN CC1(C)[C@@H](c2ccccc2)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000464074176 873173634 /nfs/dbraw/zinc/17/36/34/873173634.db2.gz LTIOTUGKIYESPN-MOPGFXCFSA-N 0 3 388.489 3.540 20 5 GHBDHN C[C@H](C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000541583371 873871148 /nfs/dbraw/zinc/87/11/48/873871148.db2.gz RAIVSBYBAMWZDN-IRXDYDNUSA-N 0 3 399.466 3.960 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000464722980 874381692 /nfs/dbraw/zinc/38/16/92/874381692.db2.gz KLKOPUCHOXYHFD-UHFFFAOYSA-N 0 3 396.491 3.698 20 5 GHBDHN COC(=O)C[C@@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCOC1 ZINC000770681514 874819905 /nfs/dbraw/zinc/81/99/05/874819905.db2.gz XDFMNYRXEHSOJT-IBGZPJMESA-N 0 3 390.461 3.525 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000449543892 875007088 /nfs/dbraw/zinc/00/70/88/875007088.db2.gz UYWSHUNVTOUPMX-YOEHRIQHSA-N 0 3 379.363 3.601 20 5 GHBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@H]2C1 ZINC000491974469 876072109 /nfs/dbraw/zinc/07/21/09/876072109.db2.gz BSKHQUJCQAGKSA-QRWLVFNGSA-N 0 3 396.447 3.945 20 5 GHBDHN C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788585573 878185681 /nfs/dbraw/zinc/18/56/81/878185681.db2.gz VZSIWTYBWOTBIP-CQSZACIVSA-N 0 3 391.431 3.675 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000776591606 878298793 /nfs/dbraw/zinc/29/87/93/878298793.db2.gz KZUHRXFQAIBJDH-RTWAWAEBSA-N 0 3 398.484 3.926 20 5 GHBDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2cccc([N+](=O)[O-])c2Br)cn1 ZINC000852562017 878424090 /nfs/dbraw/zinc/42/40/90/878424090.db2.gz ZFADQNAWMUOQLN-DZGCQCFKSA-N 0 3 393.285 3.592 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCCN(C)Cc1ccco1 ZINC000285754103 912421587 /nfs/dbraw/zinc/42/15/87/912421587.db2.gz RUMMBNDYXSGLAV-OAHLLOKOSA-N 0 3 399.451 3.753 20 5 GHBDHN COc1ccc(CN2CCCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC000761510547 879197502 /nfs/dbraw/zinc/19/75/02/879197502.db2.gz JILMPGGPYYUOHK-UHFFFAOYSA-N 0 3 389.883 3.965 20 5 GHBDHN CS[C@H](CO)[C@@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000152509209 879342185 /nfs/dbraw/zinc/34/21/85/879342185.db2.gz GJKFHXLBRVDPGI-KZULUSFZSA-N 0 3 380.441 3.728 20 5 GHBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1COc2ccccc2O1 ZINC000170905794 879998724 /nfs/dbraw/zinc/99/87/24/879998724.db2.gz JSBMESSJVMXAHP-QGZVFWFLSA-N 0 3 395.415 3.564 20 5 GHBDHN C[C@H](CC[S@](C)=O)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000532119514 881230151 /nfs/dbraw/zinc/23/01/51/881230151.db2.gz BCFKQGQKQDLPLK-SRGMZFCMSA-N 0 3 380.441 3.773 20 5 GHBDHN O=[N+]([O-])c1cc2c(cc1NCc1ccc(C3(C(F)(F)F)N=N3)cc1)CNC2 ZINC001170292868 881311346 /nfs/dbraw/zinc/31/13/46/881311346.db2.gz KNIPPRSNSRSZCF-UHFFFAOYSA-N 0 3 377.326 3.991 20 5 GHBDHN CCC[C@@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000858525973 883173942 /nfs/dbraw/zinc/17/39/42/883173942.db2.gz PKTZWRAXFJZWFP-ZWKOTPCHSA-N 0 3 393.484 3.662 20 5 GHBDHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000064522066 883583190 /nfs/dbraw/zinc/58/31/90/883583190.db2.gz YJOHWGNOYCQLES-CYBMUJFWSA-N 0 3 393.896 3.952 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(C)C)c1cccs1 ZINC000542555752 885681664 /nfs/dbraw/zinc/68/16/64/885681664.db2.gz JMNMHMULTRNTFT-OAHLLOKOSA-N 0 3 377.466 3.980 20 5 GHBDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747468788 886156216 /nfs/dbraw/zinc/15/62/16/886156216.db2.gz WOUFCAVBEFCWBJ-VQIMIIECSA-N 0 3 377.448 3.764 20 5 GHBDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000193698687 887262270 /nfs/dbraw/zinc/26/22/70/887262270.db2.gz OTRBHCZGCOOJID-KZULUSFZSA-N 0 3 389.839 3.655 20 5 GHBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000287182247 913166824 /nfs/dbraw/zinc/16/68/24/913166824.db2.gz ORKPOLLVUULISM-YCRPNKLZSA-N 0 3 375.472 3.792 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C(C)C)[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000794601923 887666771 /nfs/dbraw/zinc/66/67/71/887666771.db2.gz GUGHEVHTGCDKAZ-RYGJVYDSSA-N 0 3 385.464 3.578 20 5 GHBDHN CC1(C)C[C@@H](NCc2ccc(CN3CCNC3=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000866575703 888945928 /nfs/dbraw/zinc/94/59/28/888945928.db2.gz CBUDIESGQPMROR-HXUWFJFHSA-N 0 3 394.475 3.632 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000812828376 890983282 /nfs/dbraw/zinc/98/32/82/890983282.db2.gz UNVSYGWGHHLZSP-HNNXBMFYSA-N 0 3 382.247 3.934 20 5 GHBDHN COc1cc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC001133672810 891403126 /nfs/dbraw/zinc/40/31/26/891403126.db2.gz PAIIFZAOOMYZOZ-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000152484477 891908586 /nfs/dbraw/zinc/90/85/86/891908586.db2.gz OGYIKCXFRLRYEL-SFHVURJKSA-N 0 3 387.505 3.788 20 5 GHBDHN COCc1ccccc1/C=C(\C)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000508677402 892258217 /nfs/dbraw/zinc/25/82/17/892258217.db2.gz HADCNGYTRYSQRU-KZIRBZLESA-N 0 3 382.464 3.726 20 5 GHBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](CN1CCCC1)c1ccccc1 ZINC001135447737 894599402 /nfs/dbraw/zinc/59/94/02/894599402.db2.gz VTKJSGNZVWFTKQ-GOSISDBHSA-N 0 3 387.867 3.744 20 5 GHBDHN CN(C)C(=O)OC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000816655646 894999089 /nfs/dbraw/zinc/99/90/89/894999089.db2.gz NCOMIVKBXBJSKU-UHFFFAOYSA-N 0 3 389.477 3.986 20 5 GHBDHN COc1cc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000564498410 895037656 /nfs/dbraw/zinc/03/76/56/895037656.db2.gz SBGTZIOYQSHGPU-GOSISDBHSA-N 0 3 399.491 3.701 20 5 GHBDHN COc1cc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000564498410 895037672 /nfs/dbraw/zinc/03/76/72/895037672.db2.gz SBGTZIOYQSHGPU-GOSISDBHSA-N 0 3 399.491 3.701 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc2ccccc2c1 ZINC000565849212 895929502 /nfs/dbraw/zinc/92/95/02/895929502.db2.gz UWVIXACDBHGRPC-FQEVSTJZSA-N 0 3 380.444 3.662 20 5 GHBDHN C[C@@H]1C[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001185743996 914056375 /nfs/dbraw/zinc/05/63/75/914056375.db2.gz AJVIZVLXZISKRR-WBVHZDCISA-N 0 3 392.459 3.522 20 5 GHBDHN Cc1c(CNC[C@H](O)c2ccc(F)c(Br)c2)cccc1[N+](=O)[O-] ZINC000819258761 896546728 /nfs/dbraw/zinc/54/67/28/896546728.db2.gz ALPMOIUAQGRNAO-INIZCTEOSA-N 0 3 383.217 3.628 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000819343281 896586916 /nfs/dbraw/zinc/58/69/16/896586916.db2.gz XOOYLAULBQPPNT-JCKYIPBCSA-N 0 3 385.489 3.749 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000819343282 896587123 /nfs/dbraw/zinc/58/71/23/896587123.db2.gz XOOYLAULBQPPNT-WYVHHVQNSA-N 0 3 385.489 3.749 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccc(OC)nc1OC ZINC000567038469 896821752 /nfs/dbraw/zinc/82/17/52/896821752.db2.gz PCGJHFRXJPZRSS-AWEZNQCLSA-N 0 3 377.466 3.668 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130930155 897262031 /nfs/dbraw/zinc/26/20/31/897262031.db2.gz FOJDKYBAFIJYQP-UHFFFAOYSA-N 0 3 398.419 3.805 20 5 GHBDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000101911502 897980316 /nfs/dbraw/zinc/98/03/16/897980316.db2.gz HSBQRUAHZSSSAW-QGZVFWFLSA-N 0 3 392.499 3.930 20 5 GHBDHN COC[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000575090008 901116136 /nfs/dbraw/zinc/11/61/36/901116136.db2.gz ILEOLGLMCWAOMA-SCLBCKFNSA-N 0 3 391.855 3.943 20 5 GHBDHN C[C@H](CC(F)(F)F)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000575221209 901163160 /nfs/dbraw/zinc/16/31/60/901163160.db2.gz JZGXCXDVVRXAOO-SSDOTTSWSA-N 0 3 388.127 3.630 20 5 GHBDHN COc1ccc(OCCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872814 902471945 /nfs/dbraw/zinc/47/19/45/902471945.db2.gz OYLRCKVWCVOOCX-YJYMSZOUSA-N 0 3 377.368 3.553 20 5 GHBDHN Cc1nn(C(F)F)c(C)c1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876907 902481238 /nfs/dbraw/zinc/48/12/38/902481238.db2.gz RABJTEDTHWKYKP-MEDUHNTESA-N 0 3 385.342 3.526 20 5 GHBDHN CC([C@H](OC(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882026 902486474 /nfs/dbraw/zinc/48/64/74/902486474.db2.gz QHIJREWUWGJAMA-LOUJCGABSA-N 0 3 395.427 3.833 20 5 GHBDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000130783070 903022265 /nfs/dbraw/zinc/02/22/65/903022265.db2.gz DPFYFVCBHHLCPB-GOSISDBHSA-N 0 3 387.436 3.808 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC001147288967 903756909 /nfs/dbraw/zinc/75/69/09/903756909.db2.gz YHKFCJCSIQVENI-OAHLLOKOSA-N 0 3 379.526 3.946 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000779159896 904868910 /nfs/dbraw/zinc/86/89/10/904868910.db2.gz GLDGRJMBQNIRPM-MJWHDNRXSA-N 0 3 375.469 3.843 20 5 GHBDHN COc1ccc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1O ZINC000174630234 905310701 /nfs/dbraw/zinc/31/07/01/905310701.db2.gz PWMJVVBMQGLASD-UHFFFAOYSA-N 0 3 383.404 3.639 20 5 GHBDHN COCC[C@@H]1CO[C@]2(C1)CCCN([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172908998 905949824 /nfs/dbraw/zinc/94/98/24/905949824.db2.gz QHKJDJXPCQCSPW-WEYGHZABSA-N 0 3 388.508 3.750 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](n1nc(C(F)(F)F)c3c1CNCC3)CC2 ZINC001172920095 905990578 /nfs/dbraw/zinc/99/05/78/905990578.db2.gz IJRZSOARTILRQA-CYBMUJFWSA-N 0 3 380.370 3.576 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001173222159 906299063 /nfs/dbraw/zinc/29/90/63/906299063.db2.gz PPCGCWIBZRFANZ-INIZCTEOSA-N 0 3 389.496 3.859 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001173225962 906309407 /nfs/dbraw/zinc/30/94/07/906309407.db2.gz GTPGSTHFKVMLRY-AAEUAGOBSA-N 0 3 384.358 3.807 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001173233435 906321068 /nfs/dbraw/zinc/32/10/68/906321068.db2.gz WNOMMNPRETWAHS-VKJFTORMSA-N 0 3 377.485 3.903 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001173236670 906346428 /nfs/dbraw/zinc/34/64/28/906346428.db2.gz DSCBAMUWZGRLQE-HNAYVOBHSA-N 0 3 385.439 3.559 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001173237149 906348653 /nfs/dbraw/zinc/34/86/53/906348653.db2.gz IKZKDVDBDUBZAW-OXQOHEQNSA-N 0 3 379.460 3.646 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000773648390 908537398 /nfs/dbraw/zinc/53/73/98/908537398.db2.gz OBSJPDJNPPBUQK-UHFFFAOYSA-N 0 3 375.469 3.818 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC001177967399 908817008 /nfs/dbraw/zinc/81/70/08/908817008.db2.gz GVJUVLMIHLGJKA-UHFFFAOYSA-N 0 3 377.828 3.684 20 5 GHBDHN COC(=O)COc1ccc(CNCc2ccc(C)c3ccccc23)cc1[N+](=O)[O-] ZINC001178958136 909332126 /nfs/dbraw/zinc/33/21/26/909332126.db2.gz HNJXGTNQPSLLTP-UHFFFAOYSA-N 0 3 394.427 3.898 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001179111234 909389481 /nfs/dbraw/zinc/38/94/81/909389481.db2.gz WAIMSZZHIZNYFY-HNNXBMFYSA-N 0 3 387.436 3.954 20 5 GHBDHN CC[C@H](NCc1ccccc1N1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268791419 910018592 /nfs/dbraw/zinc/01/85/92/910018592.db2.gz ABTIPUKJYHCCIL-NRFANRHFSA-N 0 3 396.491 3.504 20 5 GHBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]1CCCCN1CC ZINC001181997192 911116951 /nfs/dbraw/zinc/11/69/51/911116951.db2.gz GJDOKJBWNSXGNS-FQEVSTJZSA-N 0 3 392.503 3.769 20 5 GHBDHN CC(C)CN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CCN(C)CC1 ZINC001274880419 911994314 /nfs/dbraw/zinc/99/43/14/911994314.db2.gz GKDCKUCKSHPDAV-UHFFFAOYSA-N 0 3 384.480 3.523 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)COc1ccccc1 ZINC000775202135 916223977 /nfs/dbraw/zinc/22/39/77/916223977.db2.gz ZMZMRKOWVMHZMW-INIZCTEOSA-N 0 3 378.856 3.899 20 5 GHBDHN CCCN(Cc1csc([N+](=O)[O-])c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114198004 919385680 /nfs/dbraw/zinc/38/56/80/919385680.db2.gz CYPRVIOZFHCVOL-UHFFFAOYSA-N 0 3 389.525 3.944 20 5 GHBDHN COc1cc([C@H](C)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000903167264 922825914 /nfs/dbraw/zinc/82/59/14/922825914.db2.gz WNBLIHFXISUVIW-WMLDXEAASA-N 0 3 384.436 3.560 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([C@H](O)c4ncc[nH]4)CC3)o2)c1 ZINC000369138229 923142779 /nfs/dbraw/zinc/14/27/79/923142779.db2.gz FOKXYVBKXBUFRF-IBGZPJMESA-N 0 3 382.420 3.524 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([C@@H](O)c4ncc[nH]4)CC3)o2)c1 ZINC000369138231 923143143 /nfs/dbraw/zinc/14/31/43/923143143.db2.gz FOKXYVBKXBUFRF-LJQANCHMSA-N 0 3 382.420 3.524 20 5 GHBDHN CO[C@@](C)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)COCc1ccccc1 ZINC000826937427 924389389 /nfs/dbraw/zinc/38/93/89/924389389.db2.gz MZXFIUNXHXGUDQ-IBGZPJMESA-N 0 3 378.856 3.960 20 5 GHBDHN CCc1nc(C)c([C@H](C)N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000411285787 926272240 /nfs/dbraw/zinc/27/22/40/926272240.db2.gz SQSFZUZJFXLJGZ-ZDUSSCGKSA-N 0 3 376.482 3.944 20 5 GHBDHN O=C(CCN1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411387999 926358122 /nfs/dbraw/zinc/35/81/22/926358122.db2.gz KNCAPYGJCZRYGL-MRXNPFEDSA-N 0 3 387.461 3.722 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000726182409 926580839 /nfs/dbraw/zinc/58/08/39/926580839.db2.gz DHPQADBISHOFSZ-ZJUUUORDSA-N 0 3 379.766 3.542 20 5 GHBDHN CN(Cc1ccccc1)C[C@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000726796476 926857672 /nfs/dbraw/zinc/85/76/72/926857672.db2.gz AZCYTLYGVRZLOI-HNNXBMFYSA-N 0 3 389.502 3.790 20 5 GHBDHN O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000751661307 928308836 /nfs/dbraw/zinc/30/88/36/928308836.db2.gz IVTNWSLGMQVAIP-INIZCTEOSA-N 0 3 395.415 3.691 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN(Cc2ccccc2)C[C@H](O)c2ccco2)cc1 ZINC000752352772 928788482 /nfs/dbraw/zinc/78/84/82/928788482.db2.gz JEZWKCISLPSYLF-FQEVSTJZSA-N 0 3 382.416 3.802 20 5 GHBDHN C/C(=C\C(=O)Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000752692830 928983747 /nfs/dbraw/zinc/98/37/47/928983747.db2.gz JDZRSCHNVFKHHN-JQIJEIRASA-N 0 3 395.459 3.594 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000467443894 929078568 /nfs/dbraw/zinc/07/85/68/929078568.db2.gz UCIKHOQFXHGBLO-FRQCXROJSA-N 0 3 397.475 3.834 20 5 GHBDHN CC(C)(C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000546540048 930249738 /nfs/dbraw/zinc/24/97/38/930249738.db2.gz CGKKUYFDMNNILG-GOSISDBHSA-N 0 3 399.466 3.792 20 5 GHBDHN C[C@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000783916808 931715406 /nfs/dbraw/zinc/71/54/06/931715406.db2.gz KUYZOIOVUIVTAW-AWEZNQCLSA-N 0 3 377.510 3.844 20 5 GHBDHN C/C(=C\C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784074106 931775774 /nfs/dbraw/zinc/77/57/74/931775774.db2.gz RSWGUUOWKVRERO-PVGBUVFQSA-N 0 3 379.460 3.731 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)c1 ZINC000557985195 931787582 /nfs/dbraw/zinc/78/75/82/931787582.db2.gz RYOPUSXNVJUCKI-NRFANRHFSA-N 0 3 399.491 3.835 20 5 GHBDHN CSCC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000561382874 934101310 /nfs/dbraw/zinc/10/13/10/934101310.db2.gz CEGPWNXJWKKTPQ-HNNXBMFYSA-N 0 3 393.534 3.623 20 5 GHBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN(C2CCC2)C1 ZINC000561534411 934248267 /nfs/dbraw/zinc/24/82/67/934248267.db2.gz MLJZBCTVWXUPRZ-LBPRGKRZSA-N 0 3 385.386 3.560 20 5 GHBDHN Cc1cc(NCCc2nc(Cc3ccccc3)no2)c2cc([N+](=O)[O-])ccc2n1 ZINC001120861228 934526572 /nfs/dbraw/zinc/52/65/72/934526572.db2.gz YLRVFULHPPNHKZ-UHFFFAOYSA-N 0 3 389.415 3.502 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC001625869849 1014265726 /nfs/dbraw/zinc/26/57/26/1014265726.db2.gz FKQQUOKANMVZFZ-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001227122642 1032278185 /nfs/dbraw/zinc/27/81/85/1032278185.db2.gz SECIYHXWYPPJQM-HNAYVOBHSA-N 0 3 384.432 3.671 20 5 GHBDHN C[Si](C)(C)CCOCN[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001156464082 1033046920 /nfs/dbraw/zinc/04/69/20/1033046920.db2.gz BLIKIKNDINUPRQ-CQSZACIVSA-N 0 3 386.956 3.514 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(CCCN2CCOCC2)CC1 ZINC000780331392 1023455550 /nfs/dbraw/zinc/45/55/50/1023455550.db2.gz SMDWWNHFSGNQRW-UHFFFAOYSA-N 0 3 381.904 3.573 20 5 GHBDHN C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1ccccc1 ZINC000756935869 1023875427 /nfs/dbraw/zinc/87/54/27/1023875427.db2.gz BDLQEQCADUYOMO-CQSZACIVSA-N 0 3 390.871 3.568 20 5 GHBDHN COc1ccc(OC)c([C@@H](O)CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000831539719 1024628980 /nfs/dbraw/zinc/62/89/80/1024628980.db2.gz VKJNVHVSESSOKV-JXFKEZNVSA-N 0 3 386.448 3.525 20 5 GHBDHN CC(C)N1CCN(c2cccc(Nc3nc4sccn4c3[N+](=O)[O-])c2)CC1 ZINC001162987890 1025998628 /nfs/dbraw/zinc/99/86/28/1025998628.db2.gz PRZPJHVRRWSWQL-UHFFFAOYSA-N 0 3 386.481 3.578 20 5 GHBDHN COc1cc(C)nc(N(C)[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001165182456 1026651628 /nfs/dbraw/zinc/65/16/28/1026651628.db2.gz NLARADYGEQIZTQ-MAUKXSAKSA-N 0 3 384.480 3.654 20 5 GHBDHN CNc1c(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC001141780579 1027256375 /nfs/dbraw/zinc/25/63/75/1027256375.db2.gz SZKVYJUEWHCCEO-FQEVSTJZSA-N 0 3 398.507 3.868 20 5 GHBDHN Cc1c(CNC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001461265084 1069469558 /nfs/dbraw/zinc/46/95/58/1069469558.db2.gz WIPHNLUAJWDGRW-YOEHRIQHSA-N 0 3 393.484 3.753 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(-c3nc(-c4ccc5c(n4)CCNC5)no3)o2)c1 ZINC001213719393 1028347784 /nfs/dbraw/zinc/34/77/84/1028347784.db2.gz AXBZKHIZMHNAEZ-UHFFFAOYSA-N 0 3 389.371 3.613 20 5 GHBDHN COC(=O)[C@H](O[C@H]1CN(Cc2ccccc2)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001223640612 1030676967 /nfs/dbraw/zinc/67/69/67/1030676967.db2.gz WSURYUMNFSSMTM-ORYQWCPZSA-N 0 3 398.459 3.736 20 5 GHBDHN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CNCc2ccccc21 ZINC001218489032 1030959421 /nfs/dbraw/zinc/95/94/21/1030959421.db2.gz OCAKOGDFCQEIQC-INIZCTEOSA-N 0 3 391.221 3.783 20 5 GHBDHN Nc1ccc2n(C(=O)[C@H]3C[C@@H](c4ccccc4)CCN3)c3ccccc3cc-2c1=O ZINC001219255564 1031328457 /nfs/dbraw/zinc/32/84/57/1031328457.db2.gz FYBGFYZSXUXQQJ-LAUBAEHRSA-N 0 3 397.478 3.865 20 5 GHBDHN O=[N+]([O-])c1cc(Br)cnc1OC1CCN(Cc2ccccc2)CC1 ZINC001225747941 1031577783 /nfs/dbraw/zinc/57/77/83/1031577783.db2.gz OIEVMIYVOYEFHZ-UHFFFAOYSA-N 0 3 392.253 3.796 20 5 GHBDHN C[C@H](Oc1ccc(C(=O)CCN(C)C)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229305829 1033406956 /nfs/dbraw/zinc/40/69/56/1033406956.db2.gz FCWYGAABHMSTRW-ZDUSSCGKSA-N 0 3 386.404 3.598 20 5 GHBDHN COc1ccc(C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001158071956 1033901492 /nfs/dbraw/zinc/90/14/92/1033901492.db2.gz ZPMYNUMRGDZHLB-UHFFFAOYSA-N 0 3 377.485 3.576 20 5 GHBDHN CN1CCC(N(Cc2ccc(F)cc2)c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001158445204 1034079723 /nfs/dbraw/zinc/07/97/23/1034079723.db2.gz FMGUBDZCHLJPBS-UHFFFAOYSA-N 0 3 378.835 3.883 20 5 GHBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCCCC1 ZINC001160614134 1035016542 /nfs/dbraw/zinc/01/65/42/1035016542.db2.gz SYRILJBGWRDGLD-QGZVFWFLSA-N 0 3 396.491 3.811 20 5 GHBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC2CCN(Cc3ccccc3)CC2)c1 ZINC001234407541 1040011483 /nfs/dbraw/zinc/01/14/83/1040011483.db2.gz DJWBBBQMIPENAY-UHFFFAOYSA-N 0 3 398.459 3.744 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001254563126 1040336777 /nfs/dbraw/zinc/33/67/77/1040336777.db2.gz UGSDKYJSTSAQST-MRXNPFEDSA-N 0 3 379.460 3.580 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001254563535 1040338315 /nfs/dbraw/zinc/33/83/15/1040338315.db2.gz YDPFTQJNKMNLFR-JKSUJKDBSA-N 0 3 377.485 3.763 20 5 GHBDHN Cc1ccc(N2C[C@@]3(CCN([C@H]4Cc5ccc([N+](=O)[O-])cc5C4)C3)CC2=O)s1 ZINC001254595108 1040368063 /nfs/dbraw/zinc/36/80/63/1040368063.db2.gz JBGSMQYZQFEUCO-RXVVDRJESA-N 0 3 397.500 3.561 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC(Oc3ncnc4ccccc43)CC1)C2 ZINC001254612071 1040383927 /nfs/dbraw/zinc/38/39/27/1040383927.db2.gz UUWVBVPNLZGBRJ-SFHVURJKSA-N 0 3 390.443 3.549 20 5 GHBDHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001235080804 1040567592 /nfs/dbraw/zinc/56/75/92/1040567592.db2.gz IOEIEAIIBNPEEC-OAQYLSRUSA-N 0 3 394.475 3.675 20 5 GHBDHN COc1cc(N2CCC(N(C)Cc3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC001256101366 1041528511 /nfs/dbraw/zinc/52/85/11/1041528511.db2.gz GLHOWNHIOILIBR-UHFFFAOYSA-N 0 3 391.418 3.982 20 5 GHBDHN CCCN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccc(Cl)cc1 ZINC001297667000 1045600341 /nfs/dbraw/zinc/60/03/41/1045600341.db2.gz QIQUUGSIXMENMI-GOSISDBHSA-N 0 3 390.871 3.643 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC001307495486 1049333099 /nfs/dbraw/zinc/33/30/99/1049333099.db2.gz DORNWRJZTQWVOI-IBGZPJMESA-N 0 3 376.453 3.514 20 5 GHBDHN C[C@H]1Cc2ccccc2N1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001307549975 1049392142 /nfs/dbraw/zinc/39/21/42/1049392142.db2.gz IMTDWBTZNPSDCN-KRWDZBQOSA-N 0 3 381.476 3.889 20 5 GHBDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307748601 1049561123 /nfs/dbraw/zinc/56/11/23/1049561123.db2.gz GSWXYASPVSRGAG-INIZCTEOSA-N 0 3 393.484 3.743 20 5 GHBDHN O=C(CCN[C@H]1CC2(CCC2)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC001308064914 1049812066 /nfs/dbraw/zinc/81/20/66/1049812066.db2.gz JFWYPUFLRJEDQG-SFHVURJKSA-N 0 3 381.432 3.960 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@]2(c3ccccc3)CCCO2)c1 ZINC001308529962 1049999756 /nfs/dbraw/zinc/99/97/56/1049999756.db2.gz KBCIQONNNPUHGC-LJQANCHMSA-N 0 3 378.375 3.992 20 5 GHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001310799795 1051599288 /nfs/dbraw/zinc/59/92/88/1051599288.db2.gz CCXPKJWTVCAHOJ-HNNXBMFYSA-N 0 3 388.855 3.953 20 5 GHBDHN C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001312818532 1052881522 /nfs/dbraw/zinc/88/15/22/1052881522.db2.gz YVYLWAYHOVPWOB-GQIGUUNPSA-N 0 3 382.464 3.618 20 5 GHBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000848551615 1057173971 /nfs/dbraw/zinc/17/39/71/1057173971.db2.gz RBVRGZGHKTUDBT-LIRRHRJNSA-N 0 3 380.448 3.853 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC001338718631 1058745657 /nfs/dbraw/zinc/74/56/57/1058745657.db2.gz GLBPXXHYBXNBNF-IBGZPJMESA-N 0 3 394.427 3.917 20 5 GHBDHN COc1cccc(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC001455069781 1061992894 /nfs/dbraw/zinc/99/28/94/1061992894.db2.gz DQKYMZIKMRCAQM-GOSISDBHSA-N 0 3 397.475 3.730 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC001458550451 1063886286 /nfs/dbraw/zinc/88/62/86/1063886286.db2.gz ZNKJRSYADCOKPT-SFHVURJKSA-N 0 3 383.448 3.848 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458631123 1063910012 /nfs/dbraw/zinc/91/00/12/1063910012.db2.gz NFACRMCWVZWIRA-UTKZUKDTSA-N 0 3 393.487 3.653 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@H](NCc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC001460030449 1064360268 /nfs/dbraw/zinc/36/02/68/1064360268.db2.gz MKKWBVTZNACCOD-INIZCTEOSA-N 0 3 381.448 3.907 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC001466116727 1065987805 /nfs/dbraw/zinc/98/78/05/1065987805.db2.gz JCLKEIYHHJKZAG-GOSISDBHSA-N 0 3 386.452 3.645 20 5 GHBDHN CC(C)Oc1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001353579941 1066057738 /nfs/dbraw/zinc/05/77/38/1066057738.db2.gz IJGNKKIAAHONFT-INIZCTEOSA-N 0 3 385.464 3.632 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001353856100 1066306878 /nfs/dbraw/zinc/30/68/78/1066306878.db2.gz KOYVIBLJLGCMMR-YHYVQYDKSA-N 0 3 393.487 3.821 20 5 GHBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001358470666 1067536992 /nfs/dbraw/zinc/53/69/92/1067536992.db2.gz OUTHUABGRTXHHI-LJQANCHMSA-N 0 3 381.476 3.948 20 5 GHBDHN C[C@H](CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001468275943 1067663369 /nfs/dbraw/zinc/66/33/69/1067663369.db2.gz LOFKOEGZALYVBP-AOIWGVFYSA-N 0 3 396.491 3.833 20 5 GHBDHN CCCCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001460071323 1068760248 /nfs/dbraw/zinc/76/02/48/1068760248.db2.gz ADZLSHQIEOZEOM-JKSUJKDBSA-N 0 3 383.876 3.760 20 5 GHBDHN Cc1c(CN[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001460376670 1068947745 /nfs/dbraw/zinc/94/77/45/1068947745.db2.gz XEGOGQOTQVPKPS-HNNXBMFYSA-N 0 3 393.365 3.513 20 5 GHBDHN CC[C@H](NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCCOC1 ZINC001460684992 1069084310 /nfs/dbraw/zinc/08/43/10/1069084310.db2.gz BIAOORFUSDQJHT-RISCZKNCSA-N 0 3 380.832 3.593 20 5 GHBDHN CCc1nn(C)c(NC[C@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC001472635358 1073589281 /nfs/dbraw/zinc/58/92/81/1073589281.db2.gz UAXZDBCXNBHWGJ-OAHLLOKOSA-N 0 3 377.514 3.837 20 5 GHBDHN CCC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001473304677 1073913688 /nfs/dbraw/zinc/91/36/88/1073913688.db2.gz DFDLQFRGSVYCSK-OAQYLSRUSA-N 0 3 383.492 3.960 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1OC ZINC001473732879 1074114663 /nfs/dbraw/zinc/11/46/63/1074114663.db2.gz XYOAAOCPYSMZQT-QGZVFWFLSA-N 0 3 387.436 3.682 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c2cccnc21 ZINC000577563978 834496850 /nfs/dbraw/zinc/49/68/50/834496850.db2.gz LUMRLCOPBBOQAX-GOSISDBHSA-N 0 3 393.443 3.813 20 5 GHBDHN COc1ccc([C@@H](O)CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000102420812 835370779 /nfs/dbraw/zinc/37/07/79/835370779.db2.gz QWIJTKOHHCQLJU-FQEVSTJZSA-N 0 3 398.415 3.695 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H]3CCN(CC(F)(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000102425650 835371131 /nfs/dbraw/zinc/37/11/31/835371131.db2.gz UZYLDJWMWQWFMP-GFCCVEGCSA-N 0 3 399.369 3.590 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCn2cc(Br)cn2)o1 ZINC000512977143 844050879 /nfs/dbraw/zinc/05/08/79/844050879.db2.gz GYXOWXBHTOHXNU-UHFFFAOYSA-N 0 3 391.225 3.604 20 5 GHBDHN C[C@@H](CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[S@@](C)=O ZINC000133741631 835472535 /nfs/dbraw/zinc/47/25/35/835472535.db2.gz DYBCZTXDCZNGGE-NRRJATNASA-N 0 3 380.441 3.773 20 5 GHBDHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000127117824 836126375 /nfs/dbraw/zinc/12/63/75/836126375.db2.gz ZLXBFMKGPWILNX-HXUWFJFHSA-N 0 3 396.447 3.534 20 5 GHBDHN CSc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000411469493 836185682 /nfs/dbraw/zinc/18/56/82/836185682.db2.gz AJHXOTRWIQFICU-GDBMZVCRSA-N 0 3 376.478 3.716 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000065984080 836406906 /nfs/dbraw/zinc/40/69/06/836406906.db2.gz LYZRHWLPZYLJHD-UHFFFAOYSA-N 0 3 376.844 3.844 20 5 GHBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000612825425 836822230 /nfs/dbraw/zinc/82/22/30/836822230.db2.gz VYOJCWDHRRPZCA-SFHVURJKSA-N 0 3 380.448 3.832 20 5 GHBDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000275572246 837305750 /nfs/dbraw/zinc/30/57/50/837305750.db2.gz OLWJFGITIRBDRH-LPHOPBHVSA-N 0 3 382.420 3.598 20 5 GHBDHN O=C1c2ccccc2CCN1CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189054226 838073484 /nfs/dbraw/zinc/07/34/84/838073484.db2.gz WPQBOWZKYZOWAT-UHFFFAOYSA-N 0 3 391.427 3.643 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001125400023 838425058 /nfs/dbraw/zinc/42/50/58/838425058.db2.gz YDHCDOGSVFHVIR-NSGGIEJNSA-N 0 3 379.460 3.650 20 5 GHBDHN CC(C)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C[C@@H]1CCC(=O)N1 ZINC000414560589 838625697 /nfs/dbraw/zinc/62/56/97/838625697.db2.gz QZEJWHBJMNRDJO-ZDUSSCGKSA-N 0 3 391.855 3.997 20 5 GHBDHN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000471530050 838755919 /nfs/dbraw/zinc/75/59/19/838755919.db2.gz QJDOSOPHLGOEBG-ZRGWGRIASA-N 0 3 387.505 3.883 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000177740327 839137927 /nfs/dbraw/zinc/13/79/27/839137927.db2.gz HZCJCQXSMWSNKU-SFHVURJKSA-N 0 3 383.448 3.726 20 5 GHBDHN C[C@H]1CN(c2ccc(CN[C@@H]3CCCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000417320405 840719862 /nfs/dbraw/zinc/71/98/62/840719862.db2.gz JQANHQCMMKGWOC-HRAATJIYSA-N 0 3 396.491 3.772 20 5 GHBDHN O=C(CCN1CC[C@@H](Oc2cccc(Cl)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500976239 844606055 /nfs/dbraw/zinc/60/60/55/844606055.db2.gz JAODIDYNUUBOGC-MRXNPFEDSA-N 0 3 389.839 3.730 20 5 GHBDHN CN(C)C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549618709 842003049 /nfs/dbraw/zinc/00/30/49/842003049.db2.gz VJPZTJJATBINCF-GOSISDBHSA-N 0 3 375.856 3.600 20 5 GHBDHN O=C1[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1CC(F)(F)F ZINC000112100975 842193323 /nfs/dbraw/zinc/19/33/23/842193323.db2.gz MMQYHTQDTXAPMZ-CYBMUJFWSA-N 0 3 399.394 3.576 20 5 GHBDHN CCO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCCC2 ZINC000610540465 842243141 /nfs/dbraw/zinc/24/31/41/842243141.db2.gz KFHHBVLKIYGPMS-ROUUACIJSA-N 0 3 376.453 3.679 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1Cc2ccccc2OC(C)(C)C1 ZINC000584678257 843583895 /nfs/dbraw/zinc/58/38/95/843583895.db2.gz JSDHWWSSXMYSTQ-UHFFFAOYSA-N 0 3 383.448 3.905 20 5 GHBDHN COc1cc(CCNCc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1Cl ZINC000555639358 861462151 /nfs/dbraw/zinc/46/21/51/861462151.db2.gz ZIJRWJZLSMYOMU-UHFFFAOYSA-N 0 3 380.828 3.606 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000513248918 845119235 /nfs/dbraw/zinc/11/92/35/845119235.db2.gz KGAFFOAQSUHACO-QFBILLFUSA-N 0 3 399.516 3.856 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1Cl ZINC000513484905 845535681 /nfs/dbraw/zinc/53/56/81/845535681.db2.gz MZLDKHUFUQEJPP-QGZVFWFLSA-N 0 3 378.856 3.899 20 5 GHBDHN O=C(Nc1ccccc1)N1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000511027899 845718405 /nfs/dbraw/zinc/71/84/05/845718405.db2.gz JQCPLLMSTYXZIM-PXNSSMCTSA-N 0 3 380.448 3.868 20 5 GHBDHN CCC[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000157740479 846153119 /nfs/dbraw/zinc/15/31/19/846153119.db2.gz IPKNAAPDIGENCP-OXQOHEQNSA-N 0 3 384.480 3.846 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000511072000 846274732 /nfs/dbraw/zinc/27/47/32/846274732.db2.gz CLBVEYZAAWBVOW-CQSZACIVSA-N 0 3 399.274 3.816 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccsc1 ZINC000119880061 846438216 /nfs/dbraw/zinc/43/82/16/846438216.db2.gz JRIDBQSLCVQVFL-GOSISDBHSA-N 0 3 386.477 3.951 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000421898426 846665854 /nfs/dbraw/zinc/66/58/54/846665854.db2.gz SRYBUCIJEANOKL-UHFFFAOYSA-N 0 3 399.413 3.747 20 5 GHBDHN C[C@H]1C[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CCN1C ZINC000420488485 847214382 /nfs/dbraw/zinc/21/43/82/847214382.db2.gz QIZXPVHMNDDMJO-JQWIXIFHSA-N 0 3 395.257 3.529 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000511141980 847421336 /nfs/dbraw/zinc/42/13/36/847421336.db2.gz XXOLNXAMEDQKGA-OAHLLOKOSA-N 0 3 399.274 3.816 20 5 GHBDHN C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000513785183 847554538 /nfs/dbraw/zinc/55/45/38/847554538.db2.gz HSRPCYYJIZLSEJ-BQFCYCMXSA-N 0 3 383.496 3.975 20 5 GHBDHN CCOc1cc(Cl)ccc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582661242 847952117 /nfs/dbraw/zinc/95/21/17/847952117.db2.gz VCTDGTBXAXRJRY-UHFFFAOYSA-N 0 3 377.828 3.765 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000162941449 849722292 /nfs/dbraw/zinc/72/22/92/849722292.db2.gz JZLSSXPGUYEEQL-HZPDHXFCSA-N 0 3 397.475 3.972 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000504736290 850264564 /nfs/dbraw/zinc/26/45/64/850264564.db2.gz BBQOGYZKJQZFFW-UHFFFAOYSA-N 0 3 382.464 3.862 20 5 GHBDHN CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000434230886 850910374 /nfs/dbraw/zinc/91/03/74/850910374.db2.gz YGRQYXDLKXNCBP-DOTOQJQBSA-N 0 3 399.495 3.739 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3Cc3ccc(F)cc3)o2)cc1 ZINC000515745428 851409948 /nfs/dbraw/zinc/40/99/48/851409948.db2.gz JAMIQMKGMRPZGX-GOSISDBHSA-N 0 3 382.395 3.991 20 5 GHBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000175200827 851844927 /nfs/dbraw/zinc/84/49/27/851844927.db2.gz UDXAHEDTHLEPLP-AWEZNQCLSA-N 0 3 393.365 3.747 20 5 GHBDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000473769650 851874106 /nfs/dbraw/zinc/87/41/06/851874106.db2.gz OEGXQEFLKXZVJA-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000150801516 852406241 /nfs/dbraw/zinc/40/62/41/852406241.db2.gz DSWAUKKMLOHEIZ-HOTGVXAUSA-N 0 3 393.484 3.599 20 5 GHBDHN NC(=O)c1ccc(CN2CCC[C@]3(CCCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000438553262 852567569 /nfs/dbraw/zinc/56/75/69/852567569.db2.gz KZCUHHJDSJCNTI-JOCHJYFZSA-N 0 3 379.460 3.564 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000516763715 852971510 /nfs/dbraw/zinc/97/15/10/852971510.db2.gz YBNBQKLGDDTTRC-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN C[C@@H](CO[C@H]1CCOC1)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000151242447 853196052 /nfs/dbraw/zinc/19/60/52/853196052.db2.gz JYOCNRLIVDSECM-LPHOPBHVSA-N 0 3 385.464 3.646 20 5 GHBDHN Cc1c(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cccc1[N+](=O)[O-] ZINC000052829918 853286000 /nfs/dbraw/zinc/28/60/00/853286000.db2.gz UHVYIWDOLYOAOV-OAHLLOKOSA-N 0 3 388.855 3.802 20 5 GHBDHN CCOc1cc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000426400355 853697801 /nfs/dbraw/zinc/69/78/01/853697801.db2.gz HVAYMUURGFBQPW-CALCHBBNSA-N 0 3 391.512 3.709 20 5 GHBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000458894499 854477486 /nfs/dbraw/zinc/47/74/86/854477486.db2.gz YUHJLQURMGJYFA-HNNXBMFYSA-N 0 3 388.443 3.568 20 5 GHBDHN Cc1c([C@@H](C)NCc2cccc(CN3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000153481321 854957913 /nfs/dbraw/zinc/95/79/13/854957913.db2.gz GGXNMMFKSAORBF-SJLPKXTDSA-N 0 3 383.492 3.975 20 5 GHBDHN Cc1nn(C)c(N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000301583645 855253065 /nfs/dbraw/zinc/25/30/65/855253065.db2.gz UINPPRIOIKFIQJ-UHFFFAOYSA-N 0 3 383.496 3.662 20 5 GHBDHN COC(=O)c1c(Cl)c(NC[C@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000590568411 855493311 /nfs/dbraw/zinc/49/33/11/855493311.db2.gz FMZITTQIYUHQQO-OAHLLOKOSA-N 0 3 395.818 3.889 20 5 GHBDHN COc1ccc([C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000057770077 855664771 /nfs/dbraw/zinc/66/47/71/855664771.db2.gz SLOHMABOZYNQLA-FQEVSTJZSA-N 0 3 398.463 3.870 20 5 GHBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000153775552 856080500 /nfs/dbraw/zinc/08/05/00/856080500.db2.gz ISKLJJNNAUYSGC-CYBMUJFWSA-N 0 3 391.855 3.728 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000508900137 856196114 /nfs/dbraw/zinc/19/61/14/856196114.db2.gz XCWIFEJNIVDJLY-KKSFZXQISA-N 0 3 396.491 3.960 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593059944 862768257 /nfs/dbraw/zinc/76/82/57/862768257.db2.gz PGKPOEZZEQOHQD-UHFFFAOYSA-N 0 3 393.846 3.520 20 5 GHBDHN O=C(CCN[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000591727656 856234210 /nfs/dbraw/zinc/23/42/10/856234210.db2.gz OCKQQGYYKAZCCG-AZUAARDMSA-N 0 3 387.411 3.572 20 5 GHBDHN COc1cc(CNC[C@@](C)(O)C(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000171842037 856280285 /nfs/dbraw/zinc/28/02/85/856280285.db2.gz DJPXQTRNLUFPMY-OAQYLSRUSA-N 0 3 388.464 3.679 20 5 GHBDHN CN1C(=O)C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000507847289 856556936 /nfs/dbraw/zinc/55/69/36/856556936.db2.gz MFDWQAVGUYSEQV-RKLZGKBOSA-N 0 3 385.851 3.823 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000843777858 857115311 /nfs/dbraw/zinc/11/53/11/857115311.db2.gz CQUZSCWCAQJJSE-CQSZACIVSA-N 0 3 391.468 3.746 20 5 GHBDHN O=C(NC1CC1)c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000059386686 862881974 /nfs/dbraw/zinc/88/19/74/862881974.db2.gz MLELVUAJUPMDEV-LJQANCHMSA-N 0 3 394.475 3.564 20 5 GHBDHN CC[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000046310140 857263460 /nfs/dbraw/zinc/26/34/60/857263460.db2.gz LWYBJICTJHMPMR-HXUWFJFHSA-N 0 3 396.491 3.573 20 5 GHBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000550453178 857339962 /nfs/dbraw/zinc/33/99/62/857339962.db2.gz NYBTXIGCVOECPT-UHFFFAOYSA-N 0 3 384.358 3.570 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341589 857387318 /nfs/dbraw/zinc/38/73/18/857387318.db2.gz SMIODMFKQLZENN-UHFFFAOYSA-N 0 3 398.916 3.731 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000246683668 857431521 /nfs/dbraw/zinc/43/15/21/857431521.db2.gz XZORRPZPJHPSNZ-PXAZEXFGSA-N 0 3 377.441 3.608 20 5 GHBDHN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594719187 858262577 /nfs/dbraw/zinc/26/25/77/858262577.db2.gz ZSALKOMUNKAXQI-JQFCIGGWSA-N 0 3 375.469 3.638 20 5 GHBDHN O=C(CCN1CCC(Oc2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000115558047 858566254 /nfs/dbraw/zinc/56/62/54/858566254.db2.gz GQKRNABYBGRWTJ-UHFFFAOYSA-N 0 3 387.411 3.606 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)ccn1 ZINC000856536501 881352702 /nfs/dbraw/zinc/35/27/02/881352702.db2.gz WAASNCSCKXBIQU-SFHVURJKSA-N 0 3 388.443 3.627 20 5 GHBDHN COc1cc(CNC[C@]2(C)CCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237286796 858957216 /nfs/dbraw/zinc/95/72/16/858957216.db2.gz QXWBGHONNPPLSW-NRFANRHFSA-N 0 3 386.448 3.841 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@@H](c3nc(C(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC001170352624 881387293 /nfs/dbraw/zinc/38/72/93/881387293.db2.gz OUSRZOGMZMNRDT-GOEBONIOSA-N 0 3 388.468 3.920 20 5 GHBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC(C)(C)C1 ZINC000483122289 859152734 /nfs/dbraw/zinc/15/27/34/859152734.db2.gz NUZIVTMGNIGNKH-GFCCVEGCSA-N 0 3 384.274 3.806 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000509391071 859285995 /nfs/dbraw/zinc/28/59/95/859285995.db2.gz CVIROYVMZBZJCL-NRFANRHFSA-N 0 3 398.507 3.688 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@]4(O)C[C@H]4C3)o2)c(Br)c1 ZINC000597212565 859350105 /nfs/dbraw/zinc/35/01/05/859350105.db2.gz VOMBJEQWVCGVMS-APPDUMDISA-N 0 3 393.237 3.574 20 5 GHBDHN CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001127775672 859486238 /nfs/dbraw/zinc/48/62/38/859486238.db2.gz GIZVVHUGCWIPLL-YPAWHYETSA-N 0 3 393.487 3.821 20 5 GHBDHN C[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543459166 859777775 /nfs/dbraw/zinc/77/77/75/859777775.db2.gz QRQURJLUJPRQTP-MAUKXSAKSA-N 0 3 385.439 3.570 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CC[C@@H]4CCN(C)C[C@H]43)c([N+](=O)[O-])c2)cc1 ZINC000611510237 859790863 /nfs/dbraw/zinc/79/08/63/859790863.db2.gz QMYBMVKOHNWESV-HRAATJIYSA-N 0 3 394.475 3.686 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H](c2ccc(C)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000474352842 859910660 /nfs/dbraw/zinc/91/06/60/859910660.db2.gz IHDYVVRPDJIRJE-NRFANRHFSA-N 0 3 384.432 3.696 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1CCN(CC(F)(F)F)C1 ZINC000602523171 860076662 /nfs/dbraw/zinc/07/66/62/860076662.db2.gz ZYFLHRKUPMSATG-SNVBAGLBSA-N 0 3 385.308 3.587 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000155237962 860451700 /nfs/dbraw/zinc/45/17/00/860451700.db2.gz HYBORFYRXRXTRC-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN COc1cc(CN(C)CCn2cccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000125322998 860638689 /nfs/dbraw/zinc/63/86/89/860638689.db2.gz WFJLZTGIMSSRBX-UHFFFAOYSA-N 0 3 396.447 3.511 20 5 GHBDHN CC(C)(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000599083084 860785732 /nfs/dbraw/zinc/78/57/32/860785732.db2.gz OHJZBMKCYJEESN-HXUWFJFHSA-N 0 3 381.476 3.922 20 5 GHBDHN O=C(CN[C@H](CC1CCC1)c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000481292058 860980258 /nfs/dbraw/zinc/98/02/58/860980258.db2.gz YGRSWJHNIGWCFB-MRXNPFEDSA-N 0 3 397.431 3.783 20 5 GHBDHN CCC[C@@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000482536673 863286564 /nfs/dbraw/zinc/28/65/64/863286564.db2.gz MUWNNMPHLOPETG-HNAYVOBHSA-N 0 3 380.391 3.744 20 5 GHBDHN CC[S@@](=O)CCNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000733900342 863332476 /nfs/dbraw/zinc/33/24/76/863332476.db2.gz NGCXDTNSGHFEKN-RUZDIDTESA-N 0 3 382.869 3.899 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765311 863533452 /nfs/dbraw/zinc/53/34/52/863533452.db2.gz PWSJLVRIJXIDDJ-UTKZUKDTSA-N 0 3 383.492 3.971 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000137467578 863980156 /nfs/dbraw/zinc/98/01/56/863980156.db2.gz FSPVQHOCJWSMBJ-YOEHRIQHSA-N 0 3 387.867 3.570 20 5 GHBDHN Cc1ccccc1C[C@@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000734145089 864033526 /nfs/dbraw/zinc/03/35/26/864033526.db2.gz JQZIQHPAYBRTSC-FQEVSTJZSA-N 0 3 377.448 3.826 20 5 GHBDHN COc1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000609018399 865924477 /nfs/dbraw/zinc/92/44/77/865924477.db2.gz XMLAXNBIYCFXPU-SFHVURJKSA-N 0 3 383.448 3.560 20 5 GHBDHN Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183138818 866266885 /nfs/dbraw/zinc/26/68/85/866266885.db2.gz IMKNYXCBLYZSTE-LSDHHAIUSA-N 0 3 393.447 3.767 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000552818645 866306640 /nfs/dbraw/zinc/30/66/40/866306640.db2.gz WVNMQPVTLWROLL-QGZVFWFLSA-N 0 3 399.472 3.851 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475699137 882017304 /nfs/dbraw/zinc/01/73/04/882017304.db2.gz RYDYWCZIQIITDW-GOSISDBHSA-N 0 3 398.459 3.601 20 5 GHBDHN CC(=O)c1ccc2c(c1)CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000534475965 866880975 /nfs/dbraw/zinc/88/09/75/866880975.db2.gz YCKGXTUBCGEUJM-UHFFFAOYSA-N 0 3 395.459 3.535 20 5 GHBDHN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479506812 867908012 /nfs/dbraw/zinc/90/80/12/867908012.db2.gz WHYSKDPOSBEMSU-ZDUSSCGKSA-N 0 3 394.518 3.941 20 5 GHBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000744393980 868787668 /nfs/dbraw/zinc/78/76/68/868787668.db2.gz WHCQMAYYMPLAJS-WIYYLYMNSA-N 0 3 386.448 3.570 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000462435712 869453769 /nfs/dbraw/zinc/45/37/69/869453769.db2.gz JREMNALHDWHZTE-IBGZPJMESA-N 0 3 395.503 3.728 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000462503021 869565986 /nfs/dbraw/zinc/56/59/86/869565986.db2.gz QJDJWVUXAIGVHI-XLIONFOSSA-N 0 3 383.492 3.800 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000539672409 869589470 /nfs/dbraw/zinc/58/94/70/869589470.db2.gz WHUYVMCVJVJAAA-UONOGXRCSA-N 0 3 377.510 3.842 20 5 GHBDHN COc1cc(NCCCCN2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000462773121 870069061 /nfs/dbraw/zinc/06/90/61/870069061.db2.gz FMTVCZSLRLIZAD-UHFFFAOYSA-N 0 3 398.507 3.613 20 5 GHBDHN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000441073517 870162565 /nfs/dbraw/zinc/16/25/65/870162565.db2.gz SGHAGORZAYEYNH-VGSWGCGISA-N 0 3 376.460 3.870 20 5 GHBDHN COc1cc(OC)c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000540168259 870652479 /nfs/dbraw/zinc/65/24/79/870652479.db2.gz HAPGGSSCKVHGJD-GFCCVEGCSA-N 0 3 380.828 3.995 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000549251087 871172237 /nfs/dbraw/zinc/17/22/37/871172237.db2.gz MHIOSISIKTVOAY-QGZVFWFLSA-N 0 3 376.844 3.981 20 5 GHBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000540592058 871648640 /nfs/dbraw/zinc/64/86/40/871648640.db2.gz NODLCCWIZMBBCB-VBKZILBWSA-N 0 3 383.448 3.980 20 5 GHBDHN O=C(N[C@@H]1CCN(C2CCCCC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000618668884 871818205 /nfs/dbraw/zinc/81/82/05/871818205.db2.gz DDXHWYUVQPKDSO-MRXNPFEDSA-N 0 3 389.499 3.818 20 5 GHBDHN C[C@H]1CCCCN1CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447682372 872093729 /nfs/dbraw/zinc/09/37/29/872093729.db2.gz XZZPAXWLZBZJGD-JTQLQIEISA-N 0 3 382.333 3.930 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000182404402 872307300 /nfs/dbraw/zinc/30/73/00/872307300.db2.gz HTDBOLNCODVTIY-DOMZBBRYSA-N 0 3 384.354 3.704 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC001195385659 872382573 /nfs/dbraw/zinc/38/25/73/872382573.db2.gz VPJXURHDAPYPIC-UHFFFAOYSA-N 0 3 380.448 3.805 20 5 GHBDHN O=[N+]([O-])c1ccc2ncnc(NC3CC(N4CCC(C(F)(F)F)CC4)C3)c2c1 ZINC000619501095 872704171 /nfs/dbraw/zinc/70/41/71/872704171.db2.gz KNDLSJJCJQQFBK-UHFFFAOYSA-N 0 3 395.385 3.755 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000448814833 873986267 /nfs/dbraw/zinc/98/62/67/873986267.db2.gz XFVIASXQNPEPTH-KRWDZBQOSA-N 0 3 395.381 3.955 20 5 GHBDHN CSCC[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000449069088 874444975 /nfs/dbraw/zinc/44/49/75/874444975.db2.gz VWJCAHSISRPUJM-GOEBONIOSA-N 0 3 385.493 3.653 20 5 GHBDHN COc1ccc(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000542034620 874820183 /nfs/dbraw/zinc/82/01/83/874820183.db2.gz JFNWBFWMONDHCF-MRXNPFEDSA-N 0 3 398.463 3.732 20 5 GHBDHN CCc1ccc2nccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)c2c1 ZINC000450256405 876152552 /nfs/dbraw/zinc/15/25/52/876152552.db2.gz HDJPTPTVTHKQTL-UHFFFAOYSA-N 0 3 396.472 3.729 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000787289397 877297318 /nfs/dbraw/zinc/29/73/18/877297318.db2.gz UYDRNFRYPUIDOD-UHFFFAOYSA-N 0 3 397.391 3.797 20 5 GHBDHN O=C1NCCCC[C@@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237773782 877971407 /nfs/dbraw/zinc/97/14/07/877971407.db2.gz MRXPPNUYFIXSLI-INIZCTEOSA-N 0 3 389.839 3.799 20 5 GHBDHN COc1ccccc1O[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086079 878146632 /nfs/dbraw/zinc/14/66/32/878146632.db2.gz OYENFWVVQMTMDR-IBGZPJMESA-N 0 3 386.448 3.916 20 5 GHBDHN CC(C)[C@@H](CO)[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000451599237 878227588 /nfs/dbraw/zinc/22/75/88/878227588.db2.gz PVCJEFLCIUYAHP-IAOVAPTHSA-N 0 3 376.457 3.585 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000852780336 878593656 /nfs/dbraw/zinc/59/36/56/878593656.db2.gz HGVAGJSPDBHGNC-LSDHHAIUSA-N 0 3 383.448 3.906 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000852780329 878594225 /nfs/dbraw/zinc/59/42/25/878594225.db2.gz HGVAGJSPDBHGNC-CABCVRRESA-N 0 3 383.448 3.906 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000538234512 879093316 /nfs/dbraw/zinc/09/33/16/879093316.db2.gz RHSYBNYOHWNQLV-WMZOPIPTSA-N 0 3 383.448 3.599 20 5 GHBDHN C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000452185227 879101613 /nfs/dbraw/zinc/10/16/13/879101613.db2.gz ZGMLIHZTUYSTTI-YJBOKZPZSA-N 0 3 385.439 3.823 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)N(C)C)cc1 ZINC000854305200 879707396 /nfs/dbraw/zinc/70/73/96/879707396.db2.gz KUAGDJIIRSUOSO-INIZCTEOSA-N 0 3 391.418 3.777 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494025233 879835120 /nfs/dbraw/zinc/83/51/20/879835120.db2.gz AIDWTXQYPULMCF-UTKZUKDTSA-N 0 3 396.491 3.566 20 5 GHBDHN CN(C)CCN(Cc1cccs1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790878609 880042274 /nfs/dbraw/zinc/04/22/74/880042274.db2.gz QKWCXWWHVJJRCE-UHFFFAOYSA-N 0 3 399.875 3.582 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000791981639 880820601 /nfs/dbraw/zinc/82/06/01/880820601.db2.gz WQVSJDKHAAWDLF-LNTYHFEGSA-N 0 3 377.444 3.751 20 5 GHBDHN O=[N+]([O-])c1c(F)cccc1NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000919963397 881278224 /nfs/dbraw/zinc/27/82/24/881278224.db2.gz KQRJESLBVPPJIY-UHFFFAOYSA-N 0 3 386.471 3.744 20 5 GHBDHN CCCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1F ZINC000609766279 883655423 /nfs/dbraw/zinc/65/54/23/883655423.db2.gz DVYJFOWNVMBLBT-UHFFFAOYSA-N 0 3 387.411 3.944 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000805275198 883731662 /nfs/dbraw/zinc/73/16/62/883731662.db2.gz BPVRDKKBNKKUCS-BTHDMNAMSA-N 0 3 397.475 3.814 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCCS(=O)(=O)Cc1ccccc1)CCC2 ZINC000192707493 883804334 /nfs/dbraw/zinc/80/43/34/883804334.db2.gz ZSFBSZLGKYTYSR-FQEVSTJZSA-N 0 3 388.489 3.567 20 5 GHBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000542507029 883839446 /nfs/dbraw/zinc/83/94/46/883839446.db2.gz GGHPQLADHSREIG-AWEZNQCLSA-N 0 3 378.436 3.571 20 5 GHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536504711 884055728 /nfs/dbraw/zinc/05/57/28/884055728.db2.gz AANWGZNHVLTOTJ-SFHVURJKSA-N 0 3 378.432 3.643 20 5 GHBDHN O=C(Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000805891938 884177323 /nfs/dbraw/zinc/17/73/23/884177323.db2.gz HUDITPWMWKKDRN-UHFFFAOYSA-N 0 3 380.444 3.965 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000153766345 887895143 /nfs/dbraw/zinc/89/51/43/887895143.db2.gz ZZKMBMXZOYBXPP-HIFRSBDPSA-N 0 3 379.457 3.654 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000454390068 888950872 /nfs/dbraw/zinc/95/08/72/888950872.db2.gz ZZSQJYFKMUTQDF-FCEWJHQRSA-N 0 3 382.464 3.791 20 5 GHBDHN CCOC(=O)c1cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)ccc1[N+](=O)[O-] ZINC001170686360 890963643 /nfs/dbraw/zinc/96/36/43/890963643.db2.gz PNUKHYGOQCTCBQ-ZDUSSCGKSA-N 0 3 380.404 3.644 20 5 GHBDHN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000498012361 892948362 /nfs/dbraw/zinc/94/83/62/892948362.db2.gz NSJNTBWNZMPPRT-VQIMIIECSA-N 0 3 397.475 3.901 20 5 GHBDHN CCOc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000428665784 893145569 /nfs/dbraw/zinc/14/55/69/893145569.db2.gz FVSVMBSNHSFQLK-LJQANCHMSA-N 0 3 385.464 3.697 20 5 GHBDHN CC[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000542611367 893429411 /nfs/dbraw/zinc/42/94/11/893429411.db2.gz FGGRMBWTUJCBCC-CRAIPNDOSA-N 0 3 399.466 3.791 20 5 GHBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000815146565 893519862 /nfs/dbraw/zinc/51/98/62/893519862.db2.gz GARWPUQJZQTEBL-QFYYESIMSA-N 0 3 383.217 3.881 20 5 GHBDHN O=C1NCCC12CCN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 ZINC000877783474 893810327 /nfs/dbraw/zinc/81/03/27/893810327.db2.gz WJOOIBLYJWDWNW-UHFFFAOYSA-N 0 3 399.422 3.628 20 5 GHBDHN COc1cccc([N+](=O)[O-])c1NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000563731750 894123200 /nfs/dbraw/zinc/12/32/00/894123200.db2.gz NKTCYTUSFJCVHW-UHFFFAOYSA-N 0 3 398.463 3.638 20 5 GHBDHN CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000563840356 894247021 /nfs/dbraw/zinc/24/70/21/894247021.db2.gz GRATYPKSHLNDQM-JQHSSLGASA-N 0 3 386.452 3.670 20 5 GHBDHN C[C@H](C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000564005857 894442708 /nfs/dbraw/zinc/44/27/08/894442708.db2.gz QYGDENZRRYAPOZ-IRXDYDNUSA-N 0 3 399.466 3.960 20 5 GHBDHN C[C@@H]1C[C@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CN1C1CC1 ZINC000564526674 895054839 /nfs/dbraw/zinc/05/48/39/895054839.db2.gz FCXXBAJCMOFTRU-BDAKNGLRSA-N 0 3 380.317 3.681 20 5 GHBDHN COc1cccc(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000565621686 895766163 /nfs/dbraw/zinc/76/61/63/895766163.db2.gz SFBRYOSDLPOTKW-IBGZPJMESA-N 0 3 399.491 3.835 20 5 GHBDHN O=C(CCN[C@H]1CC2(CCC2)Oc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000819154428 896410624 /nfs/dbraw/zinc/41/06/24/896410624.db2.gz PVTFKDAKNBNAQO-KRWDZBQOSA-N 0 3 381.432 3.960 20 5 GHBDHN O=c1cc(CN2CCC(Nc3cccnn3)CC2)c2c(ccc3ccccc32)o1 ZINC000106082788 898251829 /nfs/dbraw/zinc/25/18/29/898251829.db2.gz PBBPAWLHWCCZKN-UHFFFAOYSA-N 0 3 386.455 3.813 20 5 GHBDHN CC[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000569231772 898450051 /nfs/dbraw/zinc/45/00/51/898450051.db2.gz OTUBQCUEEGHIEP-OAHLLOKOSA-N 0 3 383.477 3.700 20 5 GHBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136832702 899442729 /nfs/dbraw/zinc/44/27/29/899442729.db2.gz QYIWZSNMCYPCFK-HNNXBMFYSA-N 0 3 391.830 3.782 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000576065491 901640738 /nfs/dbraw/zinc/64/07/38/901640738.db2.gz ZQSHINNMQVIAKK-VBQJREDUSA-N 0 3 391.493 3.914 20 5 GHBDHN CC([C@H](OC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872176 902473601 /nfs/dbraw/zinc/47/36/01/902473601.db2.gz DFPTUCSFAZYXFU-XIKOKIGWSA-N 0 3 386.379 3.738 20 5 GHBDHN COc1ccc(O[C@H](C)C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845873386 902475235 /nfs/dbraw/zinc/47/52/35/902475235.db2.gz CXDSMZLYOHNJLC-VEVIJQCQSA-N 0 3 377.368 3.551 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F)[N+](=O)[O-] ZINC000845874256 902478342 /nfs/dbraw/zinc/47/83/42/902478342.db2.gz GNKFDSMNBSNZCJ-RVPKQNPDSA-N 0 3 394.330 3.926 20 5 GHBDHN CC([C@H](OC(=O)c1ccc2c(c1)NC(=O)C2(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845881846 902485124 /nfs/dbraw/zinc/48/51/24/902485124.db2.gz MKQDVLAZWFVZHN-DIFFPNOSSA-N 0 3 386.379 3.619 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(OC(C)(C)C)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883525 902486724 /nfs/dbraw/zinc/48/67/24/902486724.db2.gz UMBADVVZDJGWFH-PXAZEXFGSA-N 0 3 376.384 3.961 20 5 GHBDHN Cc1c(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000845884079 902489681 /nfs/dbraw/zinc/48/96/81/902489681.db2.gz XGUGOUREHGWELV-KPZWWZAWSA-N 0 3 376.340 3.535 20 5 GHBDHN COc1ccc(-c2ccc(CN3CC[C@H](COC(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000577542729 902867620 /nfs/dbraw/zinc/86/76/20/902867620.db2.gz GETDTUIEELDQSM-LBPRGKRZSA-N 0 3 382.363 3.925 20 5 GHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000601023113 903237699 /nfs/dbraw/zinc/23/76/99/903237699.db2.gz WNPORMPQTLMQDH-UHFFFAOYSA-N 0 3 389.452 3.578 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000601225144 903482204 /nfs/dbraw/zinc/48/22/04/903482204.db2.gz DCDMXVLVOIDSRE-PXAZEXFGSA-N 0 3 377.441 3.608 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC001147287656 903755329 /nfs/dbraw/zinc/75/53/29/903755329.db2.gz QDXMELJFGMRGSL-HNNXBMFYSA-N 0 3 379.526 3.947 20 5 GHBDHN O=[N+]([O-])c1cc(CNC2(CO)CCOCC2)ccc1Oc1ccccc1Cl ZINC000265269143 903765954 /nfs/dbraw/zinc/76/59/54/903765954.db2.gz SZTIQFKDGUCDHQ-UHFFFAOYSA-N 0 3 392.839 3.672 20 5 GHBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCN1 ZINC001148131347 903996386 /nfs/dbraw/zinc/99/63/86/903996386.db2.gz OCUNGJZNVBAEBN-IBGZPJMESA-N 0 3 385.489 3.816 20 5 GHBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC001148276017 904033843 /nfs/dbraw/zinc/03/38/43/904033843.db2.gz UDBKCXWEDTVZDC-UHFFFAOYSA-N 0 3 385.439 3.779 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175902712 905698758 /nfs/dbraw/zinc/69/87/58/905698758.db2.gz RFSRSUFJOPZICO-QGZVFWFLSA-N 0 3 396.491 3.962 20 5 GHBDHN COc1cc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc(Cl)c1[O-] ZINC001172901670 905923206 /nfs/dbraw/zinc/92/32/06/905923206.db2.gz IZUKEGAQEZAZLV-HNNXBMFYSA-N 0 3 376.840 4.000 20 5 GHBDHN CCOC(=O)[C@@]1(C)CCCCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173180193 906257697 /nfs/dbraw/zinc/25/76/97/906257697.db2.gz JFWOCNUTBBHCFF-VLIAUNLRSA-N 0 3 396.459 3.729 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2CCOc3cc(F)ccc32)c1F ZINC001173184293 906266513 /nfs/dbraw/zinc/26/65/13/906266513.db2.gz PQOVPKMHKKNOLG-XHDPSFHLSA-N 0 3 378.375 3.926 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001173233428 906321213 /nfs/dbraw/zinc/32/12/13/906321213.db2.gz WNOMMNPRETWAHS-IIDMSEBBSA-N 0 3 377.485 3.903 20 5 GHBDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000191094144 906609537 /nfs/dbraw/zinc/60/95/37/906609537.db2.gz VGMDBMYOTHBCJL-UHFFFAOYSA-N 0 3 386.452 3.508 20 5 GHBDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180652522 906812155 /nfs/dbraw/zinc/81/21/55/906812155.db2.gz PCMANYSWEVWMOE-OXJNMPFZSA-N 0 3 396.447 3.534 20 5 GHBDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000182546905 907227524 /nfs/dbraw/zinc/22/75/24/907227524.db2.gz VRBCYDCBWRVHJR-AWEZNQCLSA-N 0 3 384.436 3.541 20 5 GHBDHN CN(Cc1ccccc1)C[C@H](O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000795550398 911077870 /nfs/dbraw/zinc/07/78/70/911077870.db2.gz BXRFAONKTDKYTM-ZDUSSCGKSA-N 0 3 385.247 3.773 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC ZINC000775081730 914997271 /nfs/dbraw/zinc/99/72/71/914997271.db2.gz WJNRLYGCXSXIHB-MRXNPFEDSA-N 0 3 387.436 3.682 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297542147 919423016 /nfs/dbraw/zinc/42/30/16/919423016.db2.gz JAGNBYSTGHWORQ-HNNXBMFYSA-N 0 3 386.452 3.555 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccc3OCC(F)(F)F)CC2)n1 ZINC000369683870 923540959 /nfs/dbraw/zinc/54/09/59/923540959.db2.gz PZUIVGPUPKPTDB-UHFFFAOYSA-N 0 3 384.358 3.570 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000410575412 925738404 /nfs/dbraw/zinc/73/84/04/925738404.db2.gz TZDXNXGHNKOBSA-UHFFFAOYSA-N 0 3 399.369 3.719 20 5 GHBDHN COC(=O)/C=C/c1ccc(NC[C@H](c2ccc(C)o2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000725791430 926438983 /nfs/dbraw/zinc/43/89/83/926438983.db2.gz UOPQHDULOYMDBB-QPGLYAHGSA-N 0 3 399.447 3.931 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCCC[C@H]3Cc3ccccc3)n2)c1 ZINC000750604610 927744512 /nfs/dbraw/zinc/74/45/12/927744512.db2.gz WFEMYJJZMQWDTL-IBGZPJMESA-N 0 3 377.448 3.908 20 5 GHBDHN COc1cc(CNC[C@H]2CCCCS2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000544370579 929100589 /nfs/dbraw/zinc/10/05/89/929100589.db2.gz GMZIKSFVAWZKDN-GFCCVEGCSA-N 0 3 394.415 3.920 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@@H](c3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000467556646 929200047 /nfs/dbraw/zinc/20/00/47/929200047.db2.gz XRFJFDGVDVOBSF-VQIMIIECSA-N 0 3 398.459 3.915 20 5 GHBDHN COC(=O)/C=C\c1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000758252762 929988453 /nfs/dbraw/zinc/98/84/53/929988453.db2.gz SPZBKACUNYWPRR-HKPXRNKTSA-N 0 3 381.432 3.638 20 5 GHBDHN Cc1nn(CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000758265348 929995174 /nfs/dbraw/zinc/99/51/74/929995174.db2.gz WRNCOQFJNPZBEV-APWZRJJASA-N 0 3 399.426 3.597 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000783846508 931688334 /nfs/dbraw/zinc/68/83/34/931688334.db2.gz RCAOHVQJTZLRRY-SJLPKXTDSA-N 0 3 397.500 3.830 20 5 GHBDHN C/C(=C/C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784074105 931775868 /nfs/dbraw/zinc/77/58/68/931775868.db2.gz RSWGUUOWKVRERO-JIHAQRTOSA-N 0 3 379.460 3.731 20 5 GHBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c2ccccc2cc2ccccc21 ZINC001116653956 933685736 /nfs/dbraw/zinc/68/57/36/933685736.db2.gz GYKWMTFAGYFUFW-GOSISDBHSA-N 0 3 375.516 3.749 20 5 GHBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc([C@H]3CN4CCC3CC4)no2)CC1 ZINC001117548032 933952889 /nfs/dbraw/zinc/95/28/89/933952889.db2.gz RXMNFBCRFAFPBL-SFHVURJKSA-N 0 3 397.479 3.690 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCOC4(CCOCC4)C3)cs2)c1 ZINC000561543330 934257349 /nfs/dbraw/zinc/25/73/49/934257349.db2.gz RYOBZENDCSSSKW-HNNXBMFYSA-N 0 3 389.477 3.536 20 5 GHBDHN CC(C)(NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000561706006 934382118 /nfs/dbraw/zinc/38/21/18/934382118.db2.gz AUZFLTJOVXPUGL-KRWDZBQOSA-N 0 3 399.466 3.997 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](Nc4ncccn4)C3)s2)cc1 ZINC000520408403 1014560969 /nfs/dbraw/zinc/56/09/69/1014560969.db2.gz LCKUYQHYLATNET-HNNXBMFYSA-N 0 3 381.461 3.800 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@]23CNCCO3)nc1-c1ccc(F)cc1 ZINC001155828790 1032729222 /nfs/dbraw/zinc/72/92/22/1032729222.db2.gz OKUYHLFTOAQGDQ-FXAWDEMLSA-N 0 3 386.427 3.509 20 5 GHBDHN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc4cc5ccccc5nc43)C[C@H]1N2C ZINC001228176984 1032824980 /nfs/dbraw/zinc/82/49/80/1032824980.db2.gz VLLNPENYBCZWCX-GWOFKNCZSA-N 0 3 376.456 3.934 20 5 GHBDHN Cc1cc(CN)nn1-c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001156044378 1032853274 /nfs/dbraw/zinc/85/32/74/1032853274.db2.gz NNVYZQHGSMINCU-UHFFFAOYSA-N 0 3 389.415 3.675 20 5 GHBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2c(-n2cncc2CNCc2ccccc2)c1 ZINC001156515709 1033078859 /nfs/dbraw/zinc/07/88/59/1033078859.db2.gz NINUBLXEBMZWQE-UHFFFAOYSA-N 0 3 394.822 3.667 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1Cl ZINC000836782896 1023364184 /nfs/dbraw/zinc/36/41/84/1023364184.db2.gz LPWQJEUCYQNMSM-FZKQIMNGSA-N 0 3 375.856 3.978 20 5 GHBDHN O=C1O[C@H](CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1c1ccccc1 ZINC000831539195 1024627075 /nfs/dbraw/zinc/62/70/75/1024627075.db2.gz OPMRZILBLNIGBZ-FXAWDEMLSA-N 0 3 381.432 3.800 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)N(C)C)cc1 ZINC001141365753 1024732672 /nfs/dbraw/zinc/73/26/72/1024732672.db2.gz MJDJNKFPEVHPNL-IBGZPJMESA-N 0 3 387.505 3.966 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN[C@@H](c3ccc(O)cc3)C2)nc1-c1ccccc1 ZINC001164038494 1026391895 /nfs/dbraw/zinc/39/18/95/1026391895.db2.gz ONUZJUXQUVDSRP-GOSISDBHSA-N 0 3 376.416 3.513 20 5 GHBDHN Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC001214489634 1028757805 /nfs/dbraw/zinc/75/78/05/1028757805.db2.gz GSPDEOVLJHCBKT-MRXNPFEDSA-N 0 3 388.855 3.953 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001217146907 1030195895 /nfs/dbraw/zinc/19/58/95/1030195895.db2.gz JLAJOZWSFAENBX-NVXWUHKLSA-N 0 3 398.463 3.951 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccnc4c3cccc4[N+](=O)[O-])n2)cc1 ZINC001217543341 1030481745 /nfs/dbraw/zinc/48/17/45/1030481745.db2.gz HSZMDQAWOQFTPO-UHFFFAOYSA-N 0 3 375.388 3.922 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001219318833 1031355278 /nfs/dbraw/zinc/35/52/78/1031355278.db2.gz ZYRYSBZDZZUCPX-OAHLLOKOSA-N 0 3 386.452 3.636 20 5 GHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001207625371 1034494622 /nfs/dbraw/zinc/49/46/22/1034494622.db2.gz WTDMCQIICKTGRP-HXUWFJFHSA-N 0 3 399.495 3.800 20 5 GHBDHN CC(C)Oc1nc(NC2CCN(Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC001161136713 1035156010 /nfs/dbraw/zinc/15/60/10/1035156010.db2.gz JRSBTMCCQCJESP-UHFFFAOYSA-N 0 3 386.452 3.559 20 5 GHBDHN c1cnc2c(c1)ccc1ccc(CN3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)nc12 ZINC001232221911 1035170216 /nfs/dbraw/zinc/17/02/16/1035170216.db2.gz MIEKOOVDMWCEPO-URXFXBBRSA-N 0 3 389.499 3.943 20 5 GHBDHN CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232223462 1035171442 /nfs/dbraw/zinc/17/14/42/1035171442.db2.gz ZOJDUINHDVMFFB-NZQKXSOJSA-N 0 3 377.488 3.943 20 5 GHBDHN O=[N+]([O-])c1cc2ccccc2nc1NCC1CCN(Cc2ccccn2)CC1 ZINC001161246384 1035191213 /nfs/dbraw/zinc/19/12/13/1035191213.db2.gz OZUAJQFCAJMCNW-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC(C)(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001462122864 1070013837 /nfs/dbraw/zinc/01/38/37/1070013837.db2.gz BHXJUSIVVKXOGS-UHFFFAOYSA-N 0 3 390.440 3.615 20 5 GHBDHN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)C(C[C@H]1CCCO1)C(F)(F)F ZINC001278725483 1039683978 /nfs/dbraw/zinc/68/39/78/1039683978.db2.gz LUPGLTSSDYHNIT-OCCSQVGLSA-N 0 3 383.326 3.829 20 5 GHBDHN C[C@@H](c1ccccc1)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479516 1040266055 /nfs/dbraw/zinc/26/60/55/1040266055.db2.gz CXTUBXZXTUMZMA-IBGZPJMESA-N 0 3 394.519 3.942 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001254551503 1040318325 /nfs/dbraw/zinc/31/83/25/1040318325.db2.gz CHSRQDHIJACZRA-QRWLVFNGSA-N 0 3 375.469 3.611 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001254570036 1040346331 /nfs/dbraw/zinc/34/63/31/1040346331.db2.gz MFAPPLMORDBVTP-QAPCUYQASA-N 0 3 380.448 3.648 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001254570898 1040348910 /nfs/dbraw/zinc/34/89/10/1040348910.db2.gz QPBVXQUUTQEGSN-INIZCTEOSA-N 0 3 382.464 3.812 20 5 GHBDHN COc1cc(N2CCC(n3c4ccccc4nc3[C@@H](C)N)CC2)ccc1[N+](=O)[O-] ZINC001256083591 1041514266 /nfs/dbraw/zinc/51/42/66/1041514266.db2.gz TXYUDARWTUFFMV-CQSZACIVSA-N 0 3 395.463 3.814 20 5 GHBDHN CC[C@H](C)N[C@@H](CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])c1ccco1 ZINC001307118512 1049086833 /nfs/dbraw/zinc/08/68/33/1049086833.db2.gz LPSCCNVBQCERPL-YKMGAGOLSA-N 0 3 387.436 3.915 20 5 GHBDHN CC[C@](C)(COc1ncccc1Cl)NCc1ccc([N+](=O)[O-])cc1OC ZINC001307591501 1049430230 /nfs/dbraw/zinc/43/02/30/1049430230.db2.gz DGSAIWQSJJASMZ-GOSISDBHSA-N 0 3 379.844 3.989 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)N(C)C)cc1 ZINC001290308260 1049796811 /nfs/dbraw/zinc/79/68/11/1049796811.db2.gz CULZRVBHNSPWJR-SFHVURJKSA-N 0 3 375.856 3.843 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308456140 1049980773 /nfs/dbraw/zinc/98/07/73/1049980773.db2.gz UAQXZDNPIKCEJW-UHFFFAOYSA-N 0 3 393.484 3.778 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cc(F)c(Cl)cc3F)CC2)cn1 ZINC001308728621 1050073331 /nfs/dbraw/zinc/07/33/31/1050073331.db2.gz KAJUHIQHHALDJD-UHFFFAOYSA-N 0 3 382.798 3.680 20 5 GHBDHN O=[N+]([O-])c1sc(CNCCc2nc3c(s2)CCC3)cc1Br ZINC001308935771 1050196359 /nfs/dbraw/zinc/19/63/59/1050196359.db2.gz QZGACNZXMRPCHZ-UHFFFAOYSA-N 0 3 388.312 3.696 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC(c2cccs2)c2cccs2)c1 ZINC001335301975 1052066534 /nfs/dbraw/zinc/06/65/34/1052066534.db2.gz RIDUHUPJUXHLRJ-AWEZNQCLSA-N 0 3 390.486 3.837 20 5 GHBDHN CC([C@@H](OC(=O)C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC001344022505 1054195808 /nfs/dbraw/zinc/19/58/08/1054195808.db2.gz OKSFEKYYLHWFDL-MTJIALIYSA-N 0 3 386.379 3.591 20 5 GHBDHN CC(COC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)[N+](=O)[O-] ZINC001344449110 1054477797 /nfs/dbraw/zinc/47/77/97/1054477797.db2.gz UQCHMORLHSVIJY-QMMMGPOBSA-N 0 3 375.233 3.868 20 5 GHBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320837232 1055981369 /nfs/dbraw/zinc/98/13/69/1055981369.db2.gz QENFVHTVQPQTOR-UKRRQHHQSA-N 0 3 378.812 3.940 20 5 GHBDHN O=C1NC2(CO1)CCN(Cc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CC2 ZINC001320967575 1056036531 /nfs/dbraw/zinc/03/65/31/1056036531.db2.gz JHRQWDXENNZQMJ-UHFFFAOYSA-N 0 3 391.811 3.583 20 5 GHBDHN CC[C@H](c1ccccc1)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001459586205 1064135485 /nfs/dbraw/zinc/13/54/85/1064135485.db2.gz TYPHMHUXJNSGMB-HXUWFJFHSA-N 0 3 396.491 3.692 20 5 GHBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](COCc1ccccc1)c1ccccc1 ZINC001459878104 1064253978 /nfs/dbraw/zinc/25/39/78/1064253978.db2.gz BKWPDBMBFLEZQZ-HXUWFJFHSA-N 0 3 380.448 3.647 20 5 GHBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001459895355 1064261257 /nfs/dbraw/zinc/26/12/57/1064261257.db2.gz WWPIDOFOLWWHPB-CJNGLKHVSA-N 0 3 385.258 3.569 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001464091990 1064815527 /nfs/dbraw/zinc/81/55/27/1064815527.db2.gz BWBFZYVHDOZONI-NHCUHLMSSA-N 0 3 395.503 3.944 20 5 GHBDHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001465485835 1065656341 /nfs/dbraw/zinc/65/63/41/1065656341.db2.gz ARWUKLHRZLJFTH-VOQZNFBZSA-N 0 3 393.487 3.821 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)N(C)C)cc1 ZINC001466250249 1066054690 /nfs/dbraw/zinc/05/46/90/1066054690.db2.gz GOMFYOHUSYIDDC-SFHVURJKSA-N 0 3 386.452 3.590 20 5 GHBDHN CN(C)C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001468649857 1067806856 /nfs/dbraw/zinc/80/68/56/1067806856.db2.gz ITPCKHUTRKXZAN-QGZVFWFLSA-N 0 3 393.846 3.739 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2F)cc1Cl ZINC001360019746 1068318066 /nfs/dbraw/zinc/31/80/66/1068318066.db2.gz XZPUEUAMKYDFLS-UHFFFAOYSA-N 0 3 393.846 3.900 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC001470133597 1068589664 /nfs/dbraw/zinc/58/96/64/1068589664.db2.gz HRYHASRKVCYQOT-VYDXJSESSA-N 0 3 388.468 3.720 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)COc3ccc4cc[nH]c4c3)C2)cc1 ZINC001460134812 1068803222 /nfs/dbraw/zinc/80/32/22/1068803222.db2.gz YNOJBDDBUYONNL-UYAOXDASSA-N 0 3 395.459 3.695 20 5 GHBDHN CC[C@@H](c1ccccc1)N1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001472708604 1073628867 /nfs/dbraw/zinc/62/88/67/1073628867.db2.gz YSLIDOWTQNFRQS-IBGZPJMESA-N 0 3 397.475 3.584 20 5 GHBDHN COC(=O)/C=C\c1ccc(N[C@H]2CCN(Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859334 1073697877 /nfs/dbraw/zinc/69/78/77/1073697877.db2.gz FWEMLBTXYPXULH-QIBOZCLASA-N 0 3 395.459 3.776 20 5 GHBDHN Cc1c(CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001473849773 1074174519 /nfs/dbraw/zinc/17/45/19/1074174519.db2.gz KBXYBICMSCNGLR-GDBMZVCRSA-N 0 3 377.485 3.886 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H](CO)Cc3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC001657792002 1126260978 /nfs/dbraw/zinc/26/09/78/1126260978.db2.gz KKEJOOJNPOXDEL-KRWDZBQOSA-N 0 3 396.443 3.865 20 5 GHBDHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC001660389368 1126264535 /nfs/dbraw/zinc/26/45/35/1126264535.db2.gz NRZKXMYFIPHYHR-QGZVFWFLSA-N 0 3 397.244 3.580 20 5 GHBDHN CC(C)[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824289131 608531461 /nfs/dbraw/zinc/53/14/61/608531461.db2.gz VAJRAIROEXQUPN-FNORWQNLSA-N 0 3 378.436 3.699 20 5 GHBDHN CC(C)[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824289131 608531462 /nfs/dbraw/zinc/53/14/62/608531462.db2.gz VAJRAIROEXQUPN-FNORWQNLSA-N 0 3 378.436 3.699 20 5 GHBDHN O=[N+]([O-])c1cc(-c2ccc(N3CCN(C4CCCC4)CC3)nn2)ccc1Cl ZINC001165032650 721861405 /nfs/dbraw/zinc/86/14/05/721861405.db2.gz XCYAFUCBNXKUDN-UHFFFAOYSA-N 0 3 387.871 3.770 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000176735439 837743137 /nfs/dbraw/zinc/74/31/37/837743137.db2.gz GPDXKNNEERVDTR-QGZVFWFLSA-N 0 3 384.480 3.738 20 5 GHBDHN CC(C)NC(=O)c1ccc(NC[C@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000557576802 834360260 /nfs/dbraw/zinc/36/02/60/834360260.db2.gz POBFQDQMLNWQLJ-LJQANCHMSA-N 0 3 388.443 3.587 20 5 GHBDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583855945 835159546 /nfs/dbraw/zinc/15/95/46/835159546.db2.gz XYOKHFQLBNFMTJ-ROUUACIJSA-N 0 3 381.476 3.679 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000583901230 835219383 /nfs/dbraw/zinc/21/93/83/835219383.db2.gz SQJXAGLUEPHURW-OAQYLSRUSA-N 0 3 395.459 3.526 20 5 GHBDHN COc1cc(CNCCn2ccc3cc(Cl)ccc32)c([N+](=O)[O-])cc1O ZINC000512501991 844035558 /nfs/dbraw/zinc/03/55/58/844035558.db2.gz SOJQLOHTCQJZMJ-UHFFFAOYSA-N 0 3 375.812 3.707 20 5 GHBDHN C[C@H]1CN(CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCCO1 ZINC000432858682 844055993 /nfs/dbraw/zinc/05/59/93/844055993.db2.gz KJQTYITWKCPHFN-KRWDZBQOSA-N 0 3 397.475 3.739 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000062368795 836128695 /nfs/dbraw/zinc/12/86/95/836128695.db2.gz XMDWQFDVDNTWGW-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc([N+](=O)[O-])cc1 ZINC000180417039 837224428 /nfs/dbraw/zinc/22/44/28/837224428.db2.gz MLLYZVFWUPTGBM-CQSZACIVSA-N 0 3 375.856 3.775 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc(Br)c1)NCc1ccccc1[N+](=O)[O-] ZINC000180414217 837238065 /nfs/dbraw/zinc/23/80/65/837238065.db2.gz FPTWOJASKDFZOQ-LBPRGKRZSA-N 0 3 392.253 3.864 20 5 GHBDHN CCOc1ccc([C@@H](C)NCCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000181559877 837959329 /nfs/dbraw/zinc/95/93/29/837959329.db2.gz OHKOUASEUQNYEY-CQSZACIVSA-N 0 3 382.420 3.937 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC001125865497 838414818 /nfs/dbraw/zinc/41/48/18/838414818.db2.gz RHEDUDXVCZFSKI-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001125400024 838425118 /nfs/dbraw/zinc/42/51/18/838425118.db2.gz YDHCDOGSVFHVIR-OBUJGBQQSA-N 0 3 379.460 3.650 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](n4cccn4)C3)o2)c([N+](=O)[O-])c1 ZINC000092967764 838448723 /nfs/dbraw/zinc/44/87/23/838448723.db2.gz ZUZGRDODNIFZGQ-OAHLLOKOSA-N 0 3 382.420 3.897 20 5 GHBDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000155591171 838710816 /nfs/dbraw/zinc/71/08/16/838710816.db2.gz TYQLJMOGJXHLFO-CQSZACIVSA-N 0 3 391.855 3.856 20 5 GHBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275760303 838755467 /nfs/dbraw/zinc/75/54/67/838755467.db2.gz ZOZUXYIDYPSUHP-LBPRGKRZSA-N 0 3 397.425 3.586 20 5 GHBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000610403592 839094251 /nfs/dbraw/zinc/09/42/51/839094251.db2.gz QQTBWLLQYYTSFF-FQEVSTJZSA-N 0 3 396.491 3.664 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255302899 839171735 /nfs/dbraw/zinc/17/17/35/839171735.db2.gz USBXABDALIMGDY-KQQSKNTNSA-N 0 3 399.413 3.731 20 5 GHBDHN CN1CCC[C@@]2(CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)C1 ZINC000549190303 839235796 /nfs/dbraw/zinc/23/57/96/839235796.db2.gz OBLWLWKSCXPBDB-JOCHJYFZSA-N 0 3 379.460 3.748 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610446121 839708106 /nfs/dbraw/zinc/70/81/06/839708106.db2.gz RLLNBKJCCWTADL-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000610445970 839721223 /nfs/dbraw/zinc/72/12/23/839721223.db2.gz MFVPZBXCOAPBTR-GOSISDBHSA-N 0 3 396.491 3.520 20 5 GHBDHN O=C(c1cccc(CN2CCCC2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126083160 840487918 /nfs/dbraw/zinc/48/79/18/840487918.db2.gz XSUKAZIWVRXBPU-UHFFFAOYSA-N 0 3 379.460 3.995 20 5 GHBDHN CN(C)[C@H]1CCOc2c(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)cccc21 ZINC000432915225 844590481 /nfs/dbraw/zinc/59/04/81/844590481.db2.gz DLISLNRIQFVGMI-KRWDZBQOSA-N 0 3 382.420 3.608 20 5 GHBDHN O=C(c1cc(NC[C@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000108313060 841581593 /nfs/dbraw/zinc/58/15/93/841581593.db2.gz ATTPSVBMZFLKQJ-LJQANCHMSA-N 0 3 398.463 3.673 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000549618177 841977582 /nfs/dbraw/zinc/97/75/82/841977582.db2.gz YINYOWDYXFTLNS-SFHVURJKSA-N 0 3 386.839 3.762 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000048053063 842077606 /nfs/dbraw/zinc/07/76/06/842077606.db2.gz AZJAODNBXXSNJX-UHFFFAOYSA-N 0 3 380.832 3.745 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093684933 842370021 /nfs/dbraw/zinc/37/00/21/842370021.db2.gz LYHIGJQHKUTSTA-OAHLLOKOSA-N 0 3 387.402 3.526 20 5 GHBDHN C[C@@H]1C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000471808324 842634189 /nfs/dbraw/zinc/63/41/89/842634189.db2.gz DTPJTHZIFPJWDY-PWSUYJOCSA-N 0 3 381.226 3.572 20 5 GHBDHN Cc1nccn1-c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279160220 842662129 /nfs/dbraw/zinc/66/21/29/842662129.db2.gz UAFHECVFUHCPGG-LJQANCHMSA-N 0 3 377.448 3.996 20 5 GHBDHN C[C@H](C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581918547 842685430 /nfs/dbraw/zinc/68/54/30/842685430.db2.gz DPEBRQZBCCOLAT-MSOLQXFVSA-N 0 3 381.476 3.821 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582714 843130148 /nfs/dbraw/zinc/13/01/48/843130148.db2.gz QMFLJRWPIHUDLH-INIZCTEOSA-N 0 3 380.448 3.832 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000510715505 843266315 /nfs/dbraw/zinc/26/63/15/843266315.db2.gz CXTDEPFADPCGSV-NRFANRHFSA-N 0 3 381.476 3.716 20 5 GHBDHN O=[N+]([O-])c1cccc2c(N3CCCN(Cc4ccc(F)cc4)CC3)ccnc21 ZINC000432322419 843633631 /nfs/dbraw/zinc/63/36/31/843633631.db2.gz BICXAUAEOFNAAB-UHFFFAOYSA-N 0 3 380.423 3.994 20 5 GHBDHN COC[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433195537 843811294 /nfs/dbraw/zinc/81/12/94/843811294.db2.gz WFJOQZQRZOPAIP-WIYYLYMNSA-N 0 3 385.464 3.646 20 5 GHBDHN CC1(C)C[C@@H](NCCCS(=O)(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433142823 845481775 /nfs/dbraw/zinc/48/17/75/845481775.db2.gz FRCXBYVVYCIQFL-LJQANCHMSA-N 0 3 388.489 3.771 20 5 GHBDHN CC1(C)C[C@H](NCc2ccccc2CN2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153642 845523954 /nfs/dbraw/zinc/52/39/54/845523954.db2.gz XABONCBNDRDPFH-QFIPXVFZSA-N 0 3 395.503 3.939 20 5 GHBDHN O=C(Nc1ccccc1)N1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000511027900 845718426 /nfs/dbraw/zinc/71/84/26/845718426.db2.gz JQCPLLMSTYXZIM-XLIONFOSSA-N 0 3 380.448 3.868 20 5 GHBDHN CC[C@H]1C[C@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421367777 846179323 /nfs/dbraw/zinc/17/93/23/846179323.db2.gz AAIUPJLSKBWUTN-OLZOCXBDSA-N 0 3 392.374 3.592 20 5 GHBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548693187 846483396 /nfs/dbraw/zinc/48/33/96/846483396.db2.gz GBNYUDYXSJYITC-HZPDHXFCSA-N 0 3 377.488 3.674 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1NC1CC(N3CCC(C(F)(F)F)CC3)C1)CCN2 ZINC000366541658 847028548 /nfs/dbraw/zinc/02/85/48/847028548.db2.gz PDYPMQQCHKGKSK-UHFFFAOYSA-N 0 3 384.402 3.780 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000127590763 847107867 /nfs/dbraw/zinc/10/78/67/847107867.db2.gz KSIOKUHBSXTYEV-GOSISDBHSA-N 0 3 382.464 3.998 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H]2CCOC[C@@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000277666938 847491598 /nfs/dbraw/zinc/49/15/98/847491598.db2.gz FXGNFQUDKLNGKW-RIFZZMRRSA-N 0 3 383.448 3.598 20 5 GHBDHN CC(C)(NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431434964 847498810 /nfs/dbraw/zinc/49/88/10/847498810.db2.gz XTXUGHGRVKGZTC-QGZVFWFLSA-N 0 3 399.466 3.997 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](CO)c1ccc(Br)cc1 ZINC000503247316 847515415 /nfs/dbraw/zinc/51/54/15/847515415.db2.gz RQUUPTYKGJNHKI-LLCTXKFZSA-N 0 3 377.238 3.694 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H](CO)c1ccc(Br)cc1 ZINC000503247319 847515597 /nfs/dbraw/zinc/51/55/97/847515597.db2.gz RQUUPTYKGJNHKI-WMHVBEDNSA-N 0 3 377.238 3.694 20 5 GHBDHN CC(C)c1nn(-c2ccccc2)cc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678924 861806850 /nfs/dbraw/zinc/80/68/50/861806850.db2.gz SIZZFGBFYLIWGB-HXUWFJFHSA-N 0 3 380.448 3.727 20 5 GHBDHN CCOc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131909391 861819521 /nfs/dbraw/zinc/81/95/21/861819521.db2.gz WCBVRDFXVFBEOR-KRWDZBQOSA-N 0 3 397.475 3.730 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC3(CO)CCC3)o2)c(Br)c1 ZINC000178639727 848070059 /nfs/dbraw/zinc/07/00/59/848070059.db2.gz BMGCQTMZSWZNAP-UHFFFAOYSA-N 0 3 381.226 3.622 20 5 GHBDHN CC(C)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000162395862 849002168 /nfs/dbraw/zinc/00/21/68/849002168.db2.gz WTWAIKHWODQPDN-UHFFFAOYSA-N 0 3 398.301 3.550 20 5 GHBDHN COc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000132234081 861977323 /nfs/dbraw/zinc/97/73/23/861977323.db2.gz YOMURNJXUHLRBA-UHFFFAOYSA-N 0 3 386.839 3.947 20 5 GHBDHN CC1(C)C[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC000518759471 850070181 /nfs/dbraw/zinc/07/01/81/850070181.db2.gz WJOWNOQQEWSCOV-MRXNPFEDSA-N 0 3 387.411 3.955 20 5 GHBDHN Cc1c(NC(=O)NCCN2CCC(C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435323856 850354543 /nfs/dbraw/zinc/35/45/43/850354543.db2.gz PYQOMQGGVDPFGF-UHFFFAOYSA-N 0 3 399.289 3.519 20 5 GHBDHN Cc1nn(-c2ccncc2)cc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487168683 850525904 /nfs/dbraw/zinc/52/59/04/850525904.db2.gz AKIRHFBBYBSJPR-UHFFFAOYSA-N 0 3 391.353 3.793 20 5 GHBDHN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H](C)C1 ZINC000436101683 851199652 /nfs/dbraw/zinc/19/96/52/851199652.db2.gz QMXOKPFRDFQPCT-HZPDHXFCSA-N 0 3 377.488 3.532 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)cc1 ZINC000488444302 851515391 /nfs/dbraw/zinc/51/53/91/851515391.db2.gz VTRLRXMPIXCJNE-INIZCTEOSA-N 0 3 393.390 3.537 20 5 GHBDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000555986541 862341603 /nfs/dbraw/zinc/34/16/03/862341603.db2.gz MMNPZEADNOQQTI-INIZCTEOSA-N 0 3 377.488 3.676 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489633427 852498698 /nfs/dbraw/zinc/49/86/98/852498698.db2.gz RTKNEDOLZQRUQI-IRXDYDNUSA-N 0 3 384.480 3.784 20 5 GHBDHN Cc1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000507150516 852599850 /nfs/dbraw/zinc/59/98/50/852599850.db2.gz XHYATSYIJAXERF-UHFFFAOYSA-N 0 3 381.476 3.684 20 5 GHBDHN COc1ccc(CN2CCN(C(C)C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506381218 852925102 /nfs/dbraw/zinc/92/51/02/852925102.db2.gz LVSSPSZTZKZGLF-UHFFFAOYSA-N 0 3 399.491 3.708 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000507623222 853097846 /nfs/dbraw/zinc/09/78/46/853097846.db2.gz YBBUXIMSXADMGL-BEFAXECRSA-N 0 3 394.475 3.734 20 5 GHBDHN CSc1ccc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507639567 853119248 /nfs/dbraw/zinc/11/92/48/853119248.db2.gz WJUFPIAFIUZLOT-YOEHRIQHSA-N 0 3 385.489 3.882 20 5 GHBDHN CCOc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000516958391 853203127 /nfs/dbraw/zinc/20/31/27/853203127.db2.gz YMHZTQKYEGENIL-MRXNPFEDSA-N 0 3 391.855 3.680 20 5 GHBDHN CC(=O)c1cc(N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000587993208 854061237 /nfs/dbraw/zinc/06/12/37/854061237.db2.gz QEHPQMGSZRLNNT-IYBDPMFKSA-N 0 3 389.496 3.513 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000543545717 862647643 /nfs/dbraw/zinc/64/76/43/862647643.db2.gz JFJVGHLBYVHZLU-UYSIFFEZSA-N 0 3 389.839 3.730 20 5 GHBDHN Cc1c(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000053050167 855335403 /nfs/dbraw/zinc/33/54/03/855335403.db2.gz NNKIUPMWZBGUBR-UHFFFAOYSA-N 0 3 385.439 3.571 20 5 GHBDHN Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4CN(C)C[C@@H]43)cc2[N+](=O)[O-])cc1 ZINC000590447065 855423460 /nfs/dbraw/zinc/42/34/60/855423460.db2.gz YBEBAUBSCWAZDW-APWZRJJASA-N 0 3 397.500 3.831 20 5 GHBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)[C@@H]2C1 ZINC000590447566 855425371 /nfs/dbraw/zinc/42/53/71/855425371.db2.gz XVVPZUQGCSVRNN-MAUKXSAKSA-N 0 3 389.521 3.653 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(CC)CC ZINC000482127725 862739873 /nfs/dbraw/zinc/73/98/73/862739873.db2.gz PKMHGMNHVONVOL-FSPWUOQZSA-N 0 3 393.484 3.504 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccccc1F ZINC000053125074 856168762 /nfs/dbraw/zinc/16/87/62/856168762.db2.gz UGYHVOQOQAGAPR-CYBMUJFWSA-N 0 3 375.400 3.764 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000592694880 857027964 /nfs/dbraw/zinc/02/79/64/857027964.db2.gz OPAVZZQYIVOZDR-SFHVURJKSA-N 0 3 397.475 3.729 20 5 GHBDHN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c(CN(C)C)c1 ZINC000428048097 857059042 /nfs/dbraw/zinc/05/90/42/857059042.db2.gz LETNFZLOFSZXJO-UHFFFAOYSA-N 0 3 394.431 3.531 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000174123875 857213933 /nfs/dbraw/zinc/21/39/33/857213933.db2.gz BZGGWZIGQUOIPV-MRXNPFEDSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1cccc([C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000301746341 857512441 /nfs/dbraw/zinc/51/24/41/857512441.db2.gz PMGAAXQLWSTTTQ-QGZVFWFLSA-N 0 3 376.844 3.901 20 5 GHBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1 ZINC000521172914 857702921 /nfs/dbraw/zinc/70/29/21/857702921.db2.gz KPIXPARHBHKNOJ-CYBMUJFWSA-N 0 3 376.844 3.890 20 5 GHBDHN C[C@@H]1CN(Cc2ccc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000594489925 858189652 /nfs/dbraw/zinc/18/96/52/858189652.db2.gz HUPRYBACTCZTAK-JKSBSHDWSA-N 0 3 395.503 3.981 20 5 GHBDHN CC1(C)CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCc2ccccc21 ZINC000595631693 858623422 /nfs/dbraw/zinc/62/34/22/858623422.db2.gz JYVCPHJBOUEUJY-UHFFFAOYSA-N 0 3 378.432 3.981 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000595778964 858685434 /nfs/dbraw/zinc/68/54/34/858685434.db2.gz WQEFGEHBQHSUID-IRXDYDNUSA-N 0 3 375.469 3.558 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000160283241 858769590 /nfs/dbraw/zinc/76/95/90/858769590.db2.gz MNFVAZYYHSLWAC-LJQANCHMSA-N 0 3 389.427 3.555 20 5 GHBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cnccc1C(F)(F)F ZINC000596118083 858784175 /nfs/dbraw/zinc/78/41/75/858784175.db2.gz OKJMDEYCIVDFDL-LLVKDONJSA-N 0 3 382.342 3.516 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@H](Oc3cc(C)ccn3)C2)c([N+](=O)[O-])c1 ZINC001170354051 881396777 /nfs/dbraw/zinc/39/67/77/881396777.db2.gz HOMCSXGDCZYCOM-LPHOPBHVSA-N 0 3 385.464 3.781 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611196434 859638652 /nfs/dbraw/zinc/63/86/52/859638652.db2.gz TZRRQBLDXODTJN-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN O=[N+]([O-])c1ccc(CCCCN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000611409769 859744898 /nfs/dbraw/zinc/74/48/98/859744898.db2.gz ABLLWZLTDNBVEJ-GOSISDBHSA-N 0 3 392.452 3.565 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC001170347594 881471131 /nfs/dbraw/zinc/47/11/31/881471131.db2.gz SCNVFSWZEGKHLG-CRAIPNDOSA-N 0 3 386.448 3.696 20 5 GHBDHN COc1ccc(C[C@H](C)N(CCOC(C)C)CCOC(C)C)c([N+](=O)[O-])c1 ZINC001170347052 881470447 /nfs/dbraw/zinc/47/04/47/881470447.db2.gz PTWRORCMZQHBBR-KRWDZBQOSA-N 0 3 382.501 3.686 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@@H]2CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351581 881490425 /nfs/dbraw/zinc/49/04/25/881490425.db2.gz GJDDFQCPGSRPDE-GOEBONIOSA-N 0 3 378.469 3.731 20 5 GHBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000484499205 860048011 /nfs/dbraw/zinc/04/80/11/860048011.db2.gz LTQKGDRJQPFYCN-BULFRSBZSA-N 0 3 383.492 3.925 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000484513053 860064385 /nfs/dbraw/zinc/06/43/85/860064385.db2.gz IHDUFJIGTXCCFW-LIRRHRJNSA-N 0 3 386.452 3.806 20 5 GHBDHN C[C@H](O)CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000093481533 860284057 /nfs/dbraw/zinc/28/40/57/860284057.db2.gz RBVORMJIYHWLCT-NSHDSACASA-N 0 3 383.242 3.820 20 5 GHBDHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124235981 860284819 /nfs/dbraw/zinc/28/48/19/860284819.db2.gz HPOSCSJVHLJKRQ-INIZCTEOSA-N 0 3 385.464 3.983 20 5 GHBDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000093613710 860317013 /nfs/dbraw/zinc/31/70/13/860317013.db2.gz FOSMTPIDRIOAGC-PMACEKPBSA-N 0 3 386.448 3.607 20 5 GHBDHN COc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCCC2)cc1 ZINC000053250312 860581955 /nfs/dbraw/zinc/58/19/55/860581955.db2.gz OGQRHHSXJXRRIN-HXUWFJFHSA-N 0 3 398.463 3.870 20 5 GHBDHN Cc1ccc(NC(=O)[C@@H](N[C@H](C)C2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000125363458 860647914 /nfs/dbraw/zinc/64/79/14/860647914.db2.gz FUKJUUWNJDPUFA-IERDGZPVSA-N 0 3 397.475 3.988 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000054227977 860796321 /nfs/dbraw/zinc/79/63/21/860796321.db2.gz MDKUBBPKYDDEFT-PBHICJAKSA-N 0 3 378.432 3.641 20 5 GHBDHN Cn1c(=O)ccc2c1CCC[C@@H]2NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593693583 860905741 /nfs/dbraw/zinc/90/57/41/860905741.db2.gz AAYCZDKLSVFKJY-KRWDZBQOSA-N 0 3 379.416 3.721 20 5 GHBDHN Cn1c(=O)ccc2c1CCC[C@@H]2NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593694617 860908987 /nfs/dbraw/zinc/90/89/87/860908987.db2.gz OQICBEHNNCAGMS-SFHVURJKSA-N 0 3 379.416 3.721 20 5 GHBDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444242512 863742816 /nfs/dbraw/zinc/74/28/16/863742816.db2.gz PAVZIHMTGOVVMV-OAHLLOKOSA-N 0 3 395.478 3.671 20 5 GHBDHN COc1c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000475121655 864254164 /nfs/dbraw/zinc/25/41/64/864254164.db2.gz RIXJVEQCEJQYSF-FQEVSTJZSA-N 0 3 397.475 3.806 20 5 GHBDHN C[C@H](C[S@@](C)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000184259168 864285699 /nfs/dbraw/zinc/28/56/99/864285699.db2.gz ALWWKPGEZSLOHZ-XELLLNAOSA-N 0 3 382.869 3.897 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475304163 864740911 /nfs/dbraw/zinc/74/09/11/864740911.db2.gz LGOYDWYZGIDWKZ-FQEVSTJZSA-N 0 3 381.476 3.605 20 5 GHBDHN C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184912896 865038001 /nfs/dbraw/zinc/03/80/01/865038001.db2.gz AOWMRJPZBSOWTK-GUYCJALGSA-N 0 3 391.468 3.852 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000487500341 866375902 /nfs/dbraw/zinc/37/59/02/866375902.db2.gz JZLJIGQBLWELJY-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CC(C)(CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC1 ZINC000065308424 866415248 /nfs/dbraw/zinc/41/52/48/866415248.db2.gz QOZKKHKGCIPIIO-UHFFFAOYSA-N 0 3 388.493 3.713 20 5 GHBDHN Cc1cccc(C2(O)CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1C ZINC000741810040 866808659 /nfs/dbraw/zinc/80/86/59/866808659.db2.gz VBVJBGRXPSRNRT-UHFFFAOYSA-N 0 3 397.475 3.524 20 5 GHBDHN C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000248787350 867385418 /nfs/dbraw/zinc/38/54/18/867385418.db2.gz WRDZNHCTILEOQW-RZQQEMMASA-N 0 3 383.448 3.679 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000553463968 867496029 /nfs/dbraw/zinc/49/60/29/867496029.db2.gz ZHQRNDVPUPVFNH-HZPDHXFCSA-N 0 3 386.395 3.642 20 5 GHBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000457093393 867649893 /nfs/dbraw/zinc/64/98/93/867649893.db2.gz ODDUCXMBOQNPJI-SFHVURJKSA-N 0 3 397.475 3.729 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC(C)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000475700524 882116798 /nfs/dbraw/zinc/11/67/98/882116798.db2.gz WCSAVWAPYPPBSH-UHFFFAOYSA-N 0 3 398.459 3.700 20 5 GHBDHN C[C@@H]1C[C@@H](CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000491240483 868704367 /nfs/dbraw/zinc/70/43/67/868704367.db2.gz ZXAWUPHIGXDWNO-KGLIPLIRSA-N 0 3 387.402 3.551 20 5 GHBDHN C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000508854555 869350314 /nfs/dbraw/zinc/35/03/14/869350314.db2.gz SNSHYVQJCQTFRI-BEFAXECRSA-N 0 3 384.480 3.821 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793606387 882314373 /nfs/dbraw/zinc/31/43/73/882314373.db2.gz UFFMLJWEFCUPCR-HXUWFJFHSA-N 0 3 375.469 3.736 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000462623673 869782788 /nfs/dbraw/zinc/78/27/88/869782788.db2.gz VRQZJCUFZUQQEC-IRLDBZIGSA-N 0 3 395.503 3.896 20 5 GHBDHN C[C@H](C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617736196 870838859 /nfs/dbraw/zinc/83/88/59/870838859.db2.gz MTBKZXAQRWDHFH-ROUUACIJSA-N 0 3 381.476 3.821 20 5 GHBDHN O=[N+]([O-])c1cc(CN[C@@]2(CCO)CCOC2)ccc1Oc1ccccc1Cl ZINC000447066682 870953644 /nfs/dbraw/zinc/95/36/44/870953644.db2.gz GEORBTYWJGKQSD-IBGZPJMESA-N 0 3 392.839 3.672 20 5 GHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2c(Br)cccc2Br)C1 ZINC001168992881 871074177 /nfs/dbraw/zinc/07/41/77/871074177.db2.gz LFVWDPHMQOKDTM-NXEZZACHSA-N 0 3 392.091 3.747 20 5 GHBDHN CC(C)C[C@@]1(CO)CCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001194021144 871437603 /nfs/dbraw/zinc/43/76/03/871437603.db2.gz YGQDUWNLRUQKNF-GOSISDBHSA-N 0 3 394.859 3.671 20 5 GHBDHN Cc1ccc(S(=O)(=O)CCCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181816000 871505096 /nfs/dbraw/zinc/50/50/96/871505096.db2.gz SVGZQMRTKNELTA-INIZCTEOSA-N 0 3 376.478 3.726 20 5 GHBDHN COc1cc([C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000447553851 871785911 /nfs/dbraw/zinc/78/59/11/871785911.db2.gz XYNPQYCGRIOFTC-LIRRHRJNSA-N 0 3 386.448 3.703 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccccc2OC(F)(F)F)n1 ZINC000447536387 871801308 /nfs/dbraw/zinc/80/13/08/871801308.db2.gz MUNPLIZQECYMCV-ZIAGYGMSSA-N 0 3 384.358 3.963 20 5 GHBDHN Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(N2CCOCC2)c1 ZINC000447574211 871863022 /nfs/dbraw/zinc/86/30/22/871863022.db2.gz LWTPRCIODMTXRN-OAQYLSRUSA-N 0 3 381.476 3.907 20 5 GHBDHN O=C1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000447583816 871883128 /nfs/dbraw/zinc/88/31/28/871883128.db2.gz COCXAJKNKMDFRM-UPZYVNNASA-N 0 3 391.471 3.719 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552058285 871952134 /nfs/dbraw/zinc/95/21/34/871952134.db2.gz ALKQOOYAMWNMTQ-QSRMWPQZSA-N 0 3 397.475 3.863 20 5 GHBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000182197265 872018834 /nfs/dbraw/zinc/01/88/34/872018834.db2.gz SYHMVSAYMWQYOD-HNNXBMFYSA-N 0 3 384.457 3.873 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCN1CCc2ccccc2C1 ZINC000537644125 882692300 /nfs/dbraw/zinc/69/23/00/882692300.db2.gz JBVQIMWUORIDKZ-UHFFFAOYSA-N 0 3 381.476 3.698 20 5 GHBDHN CC(C)CNC(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000768227593 873177950 /nfs/dbraw/zinc/17/79/50/873177950.db2.gz CFUUMPMTMMGNHX-UHFFFAOYSA-N 0 3 385.464 3.839 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@H]2CC2(O)CCCCC2)c1 ZINC001197693248 873985490 /nfs/dbraw/zinc/98/54/90/873985490.db2.gz ULGKKXGRLMUONP-SFHVURJKSA-N 0 3 390.480 3.821 20 5 GHBDHN CO[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000769445571 874074950 /nfs/dbraw/zinc/07/49/50/874074950.db2.gz GSYUEESQCIJMQU-HXUWFJFHSA-N 0 3 378.432 3.668 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H](C)c2cccc(C3CC3)c2)cc1[N+](=O)[O-] ZINC000449351099 874747766 /nfs/dbraw/zinc/74/77/66/874747766.db2.gz OJZGJTUAMSECEG-AWEZNQCLSA-N 0 3 384.432 3.875 20 5 GHBDHN CC(C)(C)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000542252222 875223904 /nfs/dbraw/zinc/22/39/04/875223904.db2.gz ACQRFAWDTPFMFE-IFXJQAMLSA-N 0 3 394.418 3.990 20 5 GHBDHN CC(C)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000542252677 875226496 /nfs/dbraw/zinc/22/64/96/875226496.db2.gz FKKBVLNWHXNRLW-KUHUBIRLSA-N 0 3 378.856 3.975 20 5 GHBDHN CCc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000746512702 875441615 /nfs/dbraw/zinc/44/16/15/875441615.db2.gz WFQUBLIUIRVTHG-AZUAARDMSA-N 0 3 379.460 3.914 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)N(C)C)cc1 ZINC000109290326 876861860 /nfs/dbraw/zinc/86/18/60/876861860.db2.gz QNEKFHKQQHIFIU-NRFANRHFSA-N 0 3 396.491 3.536 20 5 GHBDHN O=C(OCC1CCN(Cc2ccco2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000772690828 876989718 /nfs/dbraw/zinc/98/97/18/876989718.db2.gz QGDDDYKQOWUTDO-UHFFFAOYSA-N 0 3 383.404 3.738 20 5 GHBDHN CC([C@H](OC(=O)CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000851109274 877416433 /nfs/dbraw/zinc/41/64/33/877416433.db2.gz WNAYMPOQCVGRJF-WBMJQRKESA-N 0 3 396.415 3.523 20 5 GHBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031145091 878450477 /nfs/dbraw/zinc/45/04/77/878450477.db2.gz BBLUJFFRLQBZIT-FQEVSTJZSA-N 0 3 394.475 3.736 20 5 GHBDHN CCOc1ccc([C@@H](C)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000537953267 878578891 /nfs/dbraw/zinc/57/88/91/878578891.db2.gz MNGPEJQRMLBAIV-GFCCVEGCSA-N 0 3 385.399 3.769 20 5 GHBDHN CN1CCC[C@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1=O ZINC000531121608 879171105 /nfs/dbraw/zinc/17/11/05/879171105.db2.gz YJBXKMBEDPJHRG-INIZCTEOSA-N 0 3 389.839 3.751 20 5 GHBDHN CCCN(CCN(CC)CC)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000461281899 879518865 /nfs/dbraw/zinc/51/88/65/879518865.db2.gz LJBVMBDMWLFEHL-UHFFFAOYSA-N 0 3 393.531 3.735 20 5 GHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854100191 879531924 /nfs/dbraw/zinc/53/19/24/879531924.db2.gz PRJMXMPRYNXFPC-HNNXBMFYSA-N 0 3 392.463 3.726 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1F ZINC000790549823 879806396 /nfs/dbraw/zinc/80/63/96/879806396.db2.gz CKAUKFWBJXPRNQ-SCLBCKFNSA-N 0 3 391.468 3.917 20 5 GHBDHN CSc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000494039139 879874722 /nfs/dbraw/zinc/87/47/22/879874722.db2.gz RNSKGLGIUYWJLA-YOEHRIQHSA-N 0 3 385.489 3.710 20 5 GHBDHN COc1cc(CNCCc2ccncc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000531915877 880738719 /nfs/dbraw/zinc/73/87/19/880738719.db2.gz UVDQWXDFMATCCQ-UHFFFAOYSA-N 0 3 393.443 3.910 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN([C@H](CC)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000453296158 880744886 /nfs/dbraw/zinc/74/48/86/880744886.db2.gz YGSQUAIKUIODON-LJQANCHMSA-N 0 3 386.452 3.756 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000791979812 880819251 /nfs/dbraw/zinc/81/92/51/880819251.db2.gz KAJWNMKQUYQHDO-HKUYNNGSSA-N 0 3 395.459 3.507 20 5 GHBDHN Cc1c([C@H](C)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000531978988 880860155 /nfs/dbraw/zinc/86/01/55/880860155.db2.gz RVFUDRAGXDWENO-SVMVAKDDSA-N 0 3 383.492 3.843 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000152987856 881286708 /nfs/dbraw/zinc/28/67/08/881286708.db2.gz WXWRJCRICPTKKR-UONOGXRCSA-N 0 3 377.510 3.698 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CN1C1CC1 ZINC000152984680 881286987 /nfs/dbraw/zinc/28/69/87/881286987.db2.gz HATXLMADIORIGG-UONOGXRCSA-N 0 3 389.521 3.985 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000551392601 883800551 /nfs/dbraw/zinc/80/05/51/883800551.db2.gz YPRDRFJPJMQFBY-KRWDZBQOSA-N 0 3 392.843 3.681 20 5 GHBDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001183778921 912784087 /nfs/dbraw/zinc/78/40/87/912784087.db2.gz CUJUAWROZDWBOA-ZIAGYGMSSA-N 0 3 387.436 3.680 20 5 GHBDHN CN(C)C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000859845594 884118184 /nfs/dbraw/zinc/11/81/84/884118184.db2.gz YNMVGQQDRMWQHT-ROUUACIJSA-N 0 3 398.290 3.828 20 5 GHBDHN CN(C)C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000806120686 884380481 /nfs/dbraw/zinc/38/04/81/884380481.db2.gz DWRIMWHEUCMFJL-OAHLLOKOSA-N 0 3 380.807 3.812 20 5 GHBDHN CN(C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000806253571 884505406 /nfs/dbraw/zinc/50/54/06/884505406.db2.gz SHVGOXKHUPMQJW-HNNXBMFYSA-N 0 3 380.807 3.812 20 5 GHBDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747468782 886156287 /nfs/dbraw/zinc/15/62/87/886156287.db2.gz WOUFCAVBEFCWBJ-APWZRJJASA-N 0 3 377.448 3.764 20 5 GHBDHN C[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000556870345 886423548 /nfs/dbraw/zinc/42/35/48/886423548.db2.gz NAPHJSKDPAGYPI-UTKZUKDTSA-N 0 3 393.491 3.528 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000556885835 886459462 /nfs/dbraw/zinc/45/94/62/886459462.db2.gz NFFIZBMPNVQFEM-QKYXUNIQSA-N 0 3 380.448 3.912 20 5 GHBDHN COc1cc(CNC[C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272494278 887584607 /nfs/dbraw/zinc/58/46/07/887584607.db2.gz UZCOMBOVCFNKHY-SNVBAGLBSA-N 0 3 399.394 3.745 20 5 GHBDHN C[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000272527015 887631442 /nfs/dbraw/zinc/63/14/42/887631442.db2.gz MFWUVKDIUMDTDE-LAUBAEHRSA-N 0 3 393.491 3.528 20 5 GHBDHN C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809770307 887758421 /nfs/dbraw/zinc/75/84/21/887758421.db2.gz VYNCZRSRAKKLHD-FOIQADDNSA-N 0 3 390.867 3.790 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809913344 887935894 /nfs/dbraw/zinc/93/58/94/887935894.db2.gz GAEDRSGVBAJFKA-UHFFFAOYSA-N 0 3 398.916 3.731 20 5 GHBDHN CC1CCC(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)CC2)CC1 ZINC000809918930 888002032 /nfs/dbraw/zinc/00/20/32/888002032.db2.gz BCVUCKNFMMJJJZ-UHFFFAOYSA-N 0 3 380.876 3.976 20 5 GHBDHN C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000194457901 888338105 /nfs/dbraw/zinc/33/81/05/888338105.db2.gz IDWQSIFUEGSRIO-JXFKEZNVSA-N 0 3 382.464 3.792 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488134850 889164342 /nfs/dbraw/zinc/16/43/42/889164342.db2.gz OHDPYWXNHINKEN-XOBRGWDASA-N 0 3 397.500 3.959 20 5 GHBDHN C[C@@H]1CN(C(C)(C)CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000811472942 889657425 /nfs/dbraw/zinc/65/74/25/889657425.db2.gz MZXWZQSHFLMIOY-VXGBXAGGSA-N 0 3 390.311 3.879 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000917090520 891089691 /nfs/dbraw/zinc/08/96/91/891089691.db2.gz WEXBKZANKAUSTR-DESYSQHQSA-N 0 3 387.411 3.635 20 5 GHBDHN CC(COC(=O)c1ccccc1OCc1cccc(Br)c1)[N+](=O)[O-] ZINC000813102683 891274673 /nfs/dbraw/zinc/27/46/73/891274673.db2.gz ISVUQXXCOZLKQG-LBPRGKRZSA-N 0 3 394.221 3.850 20 5 GHBDHN CC(COC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109554 891302801 /nfs/dbraw/zinc/30/28/01/891302801.db2.gz LLNDVFLIYWJSHF-LLVKDONJSA-N 0 3 392.205 3.502 20 5 GHBDHN CC(COC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)[N+](=O)[O-] ZINC000813113134 891305828 /nfs/dbraw/zinc/30/58/28/891305828.db2.gz XNDJZAINSHZKBO-SNVBAGLBSA-N 0 3 383.326 3.591 20 5 GHBDHN CC(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813114667 891306023 /nfs/dbraw/zinc/30/60/23/891306023.db2.gz FNJSMDCBVLAJLK-JTQLQIEISA-N 0 3 380.740 3.863 20 5 GHBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000813113766 891306840 /nfs/dbraw/zinc/30/68/40/891306840.db2.gz UZPBFQBBFSDNRS-GFCCVEGCSA-N 0 3 379.796 3.750 20 5 GHBDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000536667385 893487427 /nfs/dbraw/zinc/48/74/27/893487427.db2.gz BEVVDVDPZNDQDL-SFHVURJKSA-N 0 3 378.812 3.893 20 5 GHBDHN COc1ccccc1[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609280850 893875339 /nfs/dbraw/zinc/87/53/39/893875339.db2.gz QSLKNLZCUIIOJW-PXNSSMCTSA-N 0 3 386.448 3.570 20 5 GHBDHN Cc1c(NC(=O)CCN2Cc3ccccc3OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000563769557 894168150 /nfs/dbraw/zinc/16/81/50/894168150.db2.gz DQIGULOHMHNRLW-UHFFFAOYSA-N 0 3 383.448 3.905 20 5 GHBDHN COC[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1 ZINC000537175713 894497719 /nfs/dbraw/zinc/49/77/19/894497719.db2.gz XNRJKHBMEPADKG-GOSISDBHSA-N 0 3 385.395 3.909 20 5 GHBDHN COc1ccc([C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000024340364 896081037 /nfs/dbraw/zinc/08/10/37/896081037.db2.gz ZDQFWHHFPAARCQ-QGZVFWFLSA-N 0 3 381.436 3.500 20 5 GHBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H](C)O1 ZINC001185802006 914094813 /nfs/dbraw/zinc/09/48/13/914094813.db2.gz RSKKHNNVCKWDLR-IAGOWNOFSA-N 0 3 384.480 3.958 20 5 GHBDHN COc1ccc(CN2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 ZINC000042109807 897157952 /nfs/dbraw/zinc/15/79/52/897157952.db2.gz IHYDGIQHJGSHLH-UHFFFAOYSA-N 0 3 392.459 3.864 20 5 GHBDHN CSCC[C@H](C)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571843306 899984794 /nfs/dbraw/zinc/98/47/94/899984794.db2.gz ZPDAFVIBKWIUCO-JTQLQIEISA-N 0 3 394.278 3.773 20 5 GHBDHN CCOc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845872781 902473840 /nfs/dbraw/zinc/47/38/40/902473840.db2.gz OBMKOCFCDIKBRC-PIGZYNQJSA-N 0 3 392.339 3.696 20 5 GHBDHN COc1ccc2[nH]cc(CC(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])c2c1 ZINC000845875438 902479579 /nfs/dbraw/zinc/47/95/79/902479579.db2.gz MPXUTCNNSVQECO-ODXCJYRJSA-N 0 3 386.379 3.808 20 5 GHBDHN CC(=O)c1cccc(O[C@H](C)C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845878725 902481114 /nfs/dbraw/zinc/48/11/14/902481114.db2.gz VTEOYOVYVARJBV-BBEGDGIKSA-N 0 3 389.379 3.745 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845881698 902485019 /nfs/dbraw/zinc/48/50/19/902485019.db2.gz NIMBBTCZYIQXSQ-MTYBJYJGSA-N 0 3 388.351 3.787 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882953 902488096 /nfs/dbraw/zinc/48/80/96/902488096.db2.gz QNQPVGQKASJHPN-VVFCZOMOSA-N 0 3 389.379 3.557 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(CNCC3(O)CCC(c4ccccc4)CC3)nc2c1 ZINC000600735889 902858986 /nfs/dbraw/zinc/85/89/86/902858986.db2.gz WFCWUVUFIHNNLK-UHFFFAOYSA-N 0 3 380.448 3.650 20 5 GHBDHN C[C@@H](N[C@H]1CCc2ccccc2OC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000509518121 904467724 /nfs/dbraw/zinc/46/77/24/904467724.db2.gz WISNVEJBIKEJBS-OCCSQVGLSA-N 0 3 389.839 3.559 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001173223000 906302116 /nfs/dbraw/zinc/30/21/16/906302116.db2.gz WDHBYIJSKLZPNY-SZVBFZGTSA-N 0 3 389.496 3.857 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001173227883 906310960 /nfs/dbraw/zinc/31/09/60/906310960.db2.gz SGLXTOAADZTVAX-INIZCTEOSA-N 0 3 379.460 3.580 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001173230753 906314974 /nfs/dbraw/zinc/31/49/74/906314974.db2.gz FKPORIRBLYHJPN-HOTGVXAUSA-N 0 3 377.485 3.857 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178646686 906366391 /nfs/dbraw/zinc/36/63/91/906366391.db2.gz KYWVACSPBMQLEP-CABCVRRESA-N 0 3 383.448 3.664 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(OCc4ccccn4)c3)CC2)n1 ZINC000366044027 921294119 /nfs/dbraw/zinc/29/41/19/921294119.db2.gz YQFHPMYQJFQMGK-UHFFFAOYSA-N 0 3 393.447 3.602 20 5 GHBDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000182533700 907224332 /nfs/dbraw/zinc/22/43/32/907224332.db2.gz AKXMDCGIBZLZDV-CQSZACIVSA-N 0 3 384.436 3.541 20 5 GHBDHN C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000192731580 907869048 /nfs/dbraw/zinc/86/90/48/907869048.db2.gz XIAGCBYGCMCDTQ-UZUQRXQVSA-N 0 3 395.503 3.983 20 5 GHBDHN COC[C@@H](O)CNCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000801732953 921435632 /nfs/dbraw/zinc/43/56/32/921435632.db2.gz CGSVCGGXYYKHEM-KRWDZBQOSA-N 0 3 388.464 3.782 20 5 GHBDHN COC(=O)/C=C\c1ccc(OCCNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000795220572 909361514 /nfs/dbraw/zinc/36/15/14/909361514.db2.gz RZACOWRIKJHMAM-RAXLEYEMSA-N 0 3 384.432 3.685 20 5 GHBDHN CCC[C@@H](NCc1cccc(OCC(=O)NCC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268810289 910027881 /nfs/dbraw/zinc/02/78/81/910027881.db2.gz TTZBPNPIAHJWMN-HXUWFJFHSA-N 0 3 385.464 3.741 20 5 GHBDHN CCC[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268830070 910035743 /nfs/dbraw/zinc/03/57/43/910035743.db2.gz OHMCYKKYSJGGCO-GOSISDBHSA-N 0 3 377.466 3.597 20 5 GHBDHN CN(C)C[C@H]1COCCN1C(=O)CCc1c2ccccc2cc2ccccc21 ZINC001182415355 911628618 /nfs/dbraw/zinc/62/86/18/911628618.db2.gz ZUYSONXFRUCWFT-FQEVSTJZSA-N 0 3 376.500 3.715 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001186923441 914905362 /nfs/dbraw/zinc/90/53/62/914905362.db2.gz VVIPIJJGOBLMAM-WOJBJXKFSA-N 0 3 387.867 3.728 20 5 GHBDHN Cn1cc(CN2CCC3(CCC(O)CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295201660 917204159 /nfs/dbraw/zinc/20/41/59/917204159.db2.gz YSSMLGAMWLHAEM-UHFFFAOYSA-N 0 3 384.480 3.512 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117587399 919545830 /nfs/dbraw/zinc/54/58/30/919545830.db2.gz HQCNNJCNTDDRGP-PXNSSMCTSA-N 0 3 399.878 3.934 20 5 GHBDHN COc1cc([C@H](C)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000903167265 922825130 /nfs/dbraw/zinc/82/51/30/922825130.db2.gz WNBLIHFXISUVIW-YOEHRIQHSA-N 0 3 384.436 3.560 20 5 GHBDHN O=C(CN[C@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371543435 924651676 /nfs/dbraw/zinc/65/16/76/924651676.db2.gz BMWAJYJOIHUBPS-IFXJQAMLSA-N 0 3 389.839 3.554 20 5 GHBDHN COc1ccc(NC(=O)CCN(C)[C@H](C)c2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC000411278329 926270999 /nfs/dbraw/zinc/27/09/99/926270999.db2.gz NZHHBEHIKXBSFN-GFCCVEGCSA-N 0 3 392.481 3.698 20 5 GHBDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)N2CCCC2)o1 ZINC000725791756 926440767 /nfs/dbraw/zinc/44/07/67/926440767.db2.gz XOASWLHHPREREA-IBGZPJMESA-N 0 3 398.463 3.637 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(-n4cncn4)nc3)s2)cc1 ZINC000726606811 926761176 /nfs/dbraw/zinc/76/11/76/926761176.db2.gz AEFBENCRLBREGF-UHFFFAOYSA-N 0 3 392.444 3.589 20 5 GHBDHN C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000412159631 927160686 /nfs/dbraw/zinc/16/06/86/927160686.db2.gz PGKDURVLAHHFBZ-BULFRSBZSA-N 0 3 393.487 3.821 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000467691385 929306348 /nfs/dbraw/zinc/30/63/48/929306348.db2.gz NQSOTDKBJJJMQE-XLIONFOSSA-N 0 3 396.491 3.566 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000758329697 930011282 /nfs/dbraw/zinc/01/12/82/930011282.db2.gz RHPOLEAFHGGGPS-UHFFFAOYSA-N 0 3 387.415 3.520 20 5 GHBDHN CC[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1Cc1ccccc1 ZINC000546759012 930408293 /nfs/dbraw/zinc/40/82/93/930408293.db2.gz XPHHSNOTZMNYEI-QGZVFWFLSA-N 0 3 377.448 3.639 20 5 GHBDHN O=C(CCN1CC=C(c2ccc(F)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782475258 931235342 /nfs/dbraw/zinc/23/53/42/931235342.db2.gz YFBYKYUPMFLXHR-UHFFFAOYSA-N 0 3 387.386 3.991 20 5 GHBDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531421 931259496 /nfs/dbraw/zinc/25/94/96/931259496.db2.gz OGFBGKBIFVNDEX-GHMZBOCLSA-N 0 3 377.338 3.725 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000557206347 931271937 /nfs/dbraw/zinc/27/19/37/931271937.db2.gz NZNKORWHZKABSL-DYESRHJHSA-N 0 3 399.491 3.591 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000783846505 931688313 /nfs/dbraw/zinc/68/83/13/931688313.db2.gz RCAOHVQJTZLRRY-FUHWJXTLSA-N 0 3 397.500 3.830 20 5 GHBDHN C[C@H](NC[C@H](O)c1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000830167347 935908533 /nfs/dbraw/zinc/90/85/33/935908533.db2.gz LBZPFDCORFFISR-QFYYESIMSA-N 0 3 383.217 3.881 20 5 GHBDHN COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001227122640 1032279002 /nfs/dbraw/zinc/27/90/02/1032279002.db2.gz SECIYHXWYPPJQM-DNVCBOLYSA-N 0 3 384.432 3.671 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001227247264 1032341214 /nfs/dbraw/zinc/34/12/14/1032341214.db2.gz VMEYACWCHCZKFG-WFASDCNBSA-N 0 3 381.354 3.908 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000246275800 1021052156 /nfs/dbraw/zinc/05/21/56/1021052156.db2.gz MXNYDKUIPOWCJE-VQTJNVASSA-N 0 3 398.484 3.926 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000246275822 1021052281 /nfs/dbraw/zinc/05/22/81/1021052281.db2.gz MXNYDKUIPOWCJE-WOJBJXKFSA-N 0 3 398.484 3.926 20 5 GHBDHN CC(C)(C)OC(=O)Nc1ncc(CNCCc2ccccc2[N+](=O)[O-])s1 ZINC000800242826 1021296674 /nfs/dbraw/zinc/29/66/74/1021296674.db2.gz KJPGZCLQWASGKS-UHFFFAOYSA-N 0 3 378.454 3.731 20 5 GHBDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000755224647 1023141309 /nfs/dbraw/zinc/14/13/09/1023141309.db2.gz BDQSNOXSARFZMH-ZDUSSCGKSA-N 0 3 375.425 3.858 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000839160884 1025667554 /nfs/dbraw/zinc/66/75/54/1025667554.db2.gz VSCIBIXCTBLMED-FQEVSTJZSA-N 0 3 392.402 3.697 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001141775927 1027213541 /nfs/dbraw/zinc/21/35/41/1027213541.db2.gz XHUQPKKEJCBCFE-APWZRJJASA-N 0 3 397.475 3.775 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001216796384 1029940352 /nfs/dbraw/zinc/94/03/52/1029940352.db2.gz BZXDWVLIUCGJFP-GOSISDBHSA-N 0 3 398.463 3.780 20 5 GHBDHN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)[C@H]1CNC[C@H](F)C1 ZINC001219207238 1031304810 /nfs/dbraw/zinc/30/48/10/1031304810.db2.gz CHVWKQZTILUWCJ-IAGOWNOFSA-N 0 3 380.467 3.649 20 5 GHBDHN CCCN(C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C)[C@H]1CCN(C)C1 ZINC001220233252 1031849611 /nfs/dbraw/zinc/84/96/11/1031849611.db2.gz KOYPJESFAXIKOJ-LBPRGKRZSA-N 0 3 388.390 3.870 20 5 GHBDHN O=[N+]([O-])c1cc2cccnc2c(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001229344189 1033427697 /nfs/dbraw/zinc/42/76/97/1033427697.db2.gz RYQSVSTYLDSTSI-FQEVSTJZSA-N 0 3 393.443 3.813 20 5 GHBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N(Cc2ccc(F)cc2)C2CCN(C)CC2)n1 ZINC001158444890 1034079576 /nfs/dbraw/zinc/07/95/76/1034079576.db2.gz DWGRPSBDKVAFOX-UHFFFAOYSA-N 0 3 393.850 3.587 20 5 GHBDHN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001278725481 1039683874 /nfs/dbraw/zinc/68/38/74/1039683874.db2.gz LUPGLTSSDYHNIT-GXTWGEPZSA-N 0 3 383.326 3.829 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCOc4c(F)cc(F)cc43)CC2)cc1 ZINC001254472914 1040258014 /nfs/dbraw/zinc/25/80/14/1040258014.db2.gz UXVHZNCQMCHAPD-LJQANCHMSA-N 0 3 389.402 3.955 20 5 GHBDHN Cc1ccc(N2CCN(C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 ZINC001254475735 1040262924 /nfs/dbraw/zinc/26/29/24/1040262924.db2.gz JHCZLKJXZYTBKE-UHFFFAOYSA-N 0 3 380.492 3.694 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001254563125 1040337217 /nfs/dbraw/zinc/33/72/17/1040337217.db2.gz UGSDKYJSTSAQST-INIZCTEOSA-N 0 3 379.460 3.580 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001254571330 1040348171 /nfs/dbraw/zinc/34/81/71/1040348171.db2.gz SNZYXAYKICYWAY-PXNSSMCTSA-N 0 3 382.460 3.981 20 5 GHBDHN CC[C@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000489634450 1045906044 /nfs/dbraw/zinc/90/60/44/1045906044.db2.gz UBGCAYJIPZWWDR-JXFKEZNVSA-N 0 3 384.480 3.866 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H](C)N(CC)C[C@H]2C)cc1OC ZINC001307645097 1049471616 /nfs/dbraw/zinc/47/16/16/1049471616.db2.gz USNOVHWTPGOFIF-YESZJQIVSA-N 0 3 393.528 3.943 20 5 GHBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001307892658 1049670481 /nfs/dbraw/zinc/67/04/81/1049670481.db2.gz ATCOUKIGOUFYBB-QSNWEANLSA-N 0 3 383.492 3.612 20 5 GHBDHN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCc2ccc(Cl)cc21 ZINC001307900818 1049678689 /nfs/dbraw/zinc/67/86/89/1049678689.db2.gz MBYMVIXTWZHSID-RHSMWYFYSA-N 0 3 390.867 3.650 20 5 GHBDHN Cc1ccc(C[C@]2(C)CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC001307971765 1049730654 /nfs/dbraw/zinc/73/06/54/1049730654.db2.gz FDPAKRJJEHDUOS-QHCPKHFHSA-N 0 3 393.487 3.890 20 5 GHBDHN COc1ccc(OCCN[C@H](C)c2ccc(C(F)(F)F)nc2)c([N+](=O)[O-])c1 ZINC001308050112 1049798274 /nfs/dbraw/zinc/79/82/74/1049798274.db2.gz KSVRSLFFZVKHFE-LLVKDONJSA-N 0 3 385.342 3.747 20 5 GHBDHN CN(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC(C)(C)C ZINC001308238613 1049923022 /nfs/dbraw/zinc/92/30/22/1049923022.db2.gz VYDQLDRJRUVOSG-UHFFFAOYSA-N 0 3 375.425 3.811 20 5 GHBDHN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001308305585 1049944551 /nfs/dbraw/zinc/94/45/51/1049944551.db2.gz GCDAZQSXKVUVPU-IFMALSPDSA-N 0 3 383.492 3.672 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@H](C2CC2)[C@@H]2CCCCO2)cc1Br ZINC001308842473 1050119559 /nfs/dbraw/zinc/11/95/59/1050119559.db2.gz UUGATRMMFPKKCB-QWHCGFSZSA-N 0 3 375.288 3.856 20 5 GHBDHN O=[N+]([O-])c1c(-c2nc([C@@H]3CN4CCC3CC4)no2)ccnc1-c1ccccc1 ZINC001328773784 1050633852 /nfs/dbraw/zinc/63/38/52/1050633852.db2.gz YROLXJCPLGVYHS-MRXNPFEDSA-N 0 3 377.404 3.516 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001310849113 1051647119 /nfs/dbraw/zinc/64/71/19/1051647119.db2.gz PEIFVYOXQADQEQ-DNVCBOLYSA-N 0 3 382.464 3.942 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC001335012840 1052023751 /nfs/dbraw/zinc/02/37/51/1052023751.db2.gz LZAWGXDADPJLQJ-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN CCOc1ccc2c(c1)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC001319326329 1055183529 /nfs/dbraw/zinc/18/35/29/1055183529.db2.gz YEHANKVTRMIQBF-UHFFFAOYSA-N 0 3 383.448 3.689 20 5 GHBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001320718279 1055938154 /nfs/dbraw/zinc/93/81/54/1055938154.db2.gz ZTYBFYBBKPPZNH-ZBFHGGJFSA-N 0 3 378.812 3.940 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](CO)CC2CCOCC2)c2ccccc2)c1 ZINC001320865213 1055992181 /nfs/dbraw/zinc/99/21/81/1055992181.db2.gz YPHFVGUVEWYNSZ-GCJKJVERSA-N 0 3 384.476 3.699 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001354080892 1056324863 /nfs/dbraw/zinc/32/48/63/1056324863.db2.gz ZNZDWZGCGNLWPI-UHFFFAOYSA-N 0 3 383.448 3.653 20 5 GHBDHN CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001325509587 1057336648 /nfs/dbraw/zinc/33/66/48/1057336648.db2.gz CSJCTLNOGAHRPR-VHSSKADRSA-N 0 3 395.887 3.712 20 5 GHBDHN COc1ccc(CN2CCCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)cc1 ZINC001458083666 1063554229 /nfs/dbraw/zinc/55/42/29/1063554229.db2.gz VKCNFJSPASABND-UHFFFAOYSA-N 0 3 392.459 3.864 20 5 GHBDHN CN1CCC(N(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC001350677198 1064162323 /nfs/dbraw/zinc/16/23/23/1064162323.db2.gz GTHQFMSVBTUWLZ-SFTDATJTSA-N 0 3 379.460 3.826 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001468067739 1067585946 /nfs/dbraw/zinc/58/59/46/1067585946.db2.gz JIZGKVSGRCIXEX-UHFFFAOYSA-N 0 3 377.485 3.576 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nnc(NC3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000849159448 1067748753 /nfs/dbraw/zinc/74/87/53/1067748753.db2.gz QAPYHDLVEMXVBJ-UHFFFAOYSA-N 0 3 379.420 3.721 20 5 GHBDHN CC1(C)[C@@H](c2ccccc2)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460257499 1068889124 /nfs/dbraw/zinc/88/91/24/1068889124.db2.gz LVUPTLLNBHIGAY-LJQANCHMSA-N 0 3 379.460 3.752 20 5 GHBDHN Cc1ccc(CN2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC001460693418 1069091745 /nfs/dbraw/zinc/09/17/45/1069091745.db2.gz LPXWQOYZJTXBIP-XXBNENTESA-N 0 3 395.503 3.769 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001470780593 1072736519 /nfs/dbraw/zinc/73/65/19/1072736519.db2.gz TWTNYLMFZRDJCL-FBEWHJACSA-N 0 3 393.487 3.725 20 5 GHBDHN CC[C@H](Cc1ccccc1)N(CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473269699 1073900117 /nfs/dbraw/zinc/90/01/17/1073900117.db2.gz HHPHULVRUUSODS-LJQANCHMSA-N 0 3 381.476 3.827 20 5 GHBDHN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473507328 1073993843 /nfs/dbraw/zinc/99/38/43/1073993843.db2.gz XGICMXMHKULCOE-JXXFODFXSA-N 0 3 379.460 3.750 20 5 GHBDHN COc1ccc(OCCN[C@@H](C)c2cc(Cl)cc3c2OCC3)c([N+](=O)[O-])c1 ZINC001473827239 1074162451 /nfs/dbraw/zinc/16/24/51/1074162451.db2.gz STJSZHZUPMPPPP-LBPRGKRZSA-N 0 3 392.839 3.921 20 5 GHBDHN Cc1c(CN[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC001473988407 1074227151 /nfs/dbraw/zinc/22/71/51/1074227151.db2.gz CZEIIJHJMDTRAM-MRXNPFEDSA-N 0 3 386.471 3.645 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001474374790 1074370962 /nfs/dbraw/zinc/37/09/62/1074370962.db2.gz DGAHKGJPSNNASQ-WMLDXEAASA-N 0 3 377.485 3.947 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000581965958 837756920 /nfs/dbraw/zinc/75/69/20/837756920.db2.gz FLTFXRYQUSYDCD-IFXJQAMLSA-N 0 3 387.505 3.839 20 5 GHBDHN CCc1nc2ccccc2n1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180964860 837760221 /nfs/dbraw/zinc/76/02/21/837760221.db2.gz QVDYDEXSDWBINF-OAQYLSRUSA-N 0 3 394.475 3.877 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc(F)ccc2Br)n1 ZINC000583673442 834858492 /nfs/dbraw/zinc/85/84/92/834858492.db2.gz KLKWLSRCQGZONY-HUUCEWRRSA-N 0 3 397.248 3.966 20 5 GHBDHN O=C(CN1CCC[C@H]1CCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001167072623 835233267 /nfs/dbraw/zinc/23/32/67/835233267.db2.gz SOGMLRKTNVCRIZ-IBGZPJMESA-N 0 3 379.460 3.581 20 5 GHBDHN O=C(CCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000157636541 835290520 /nfs/dbraw/zinc/29/05/20/835290520.db2.gz GCTLVBQIQFQNSF-MRXNPFEDSA-N 0 3 399.422 3.657 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H]3CCN(c4ccccn4)C3)o2)c([N+](=O)[O-])c1 ZINC000120612661 835875602 /nfs/dbraw/zinc/87/56/02/835875602.db2.gz FMYBXWJUQGLHLR-HNNXBMFYSA-N 0 3 394.431 3.627 20 5 GHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000065841389 836029596 /nfs/dbraw/zinc/02/95/96/836029596.db2.gz ZGTAAIPHVPIVMK-NRFANRHFSA-N 0 3 392.459 3.503 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1ccccc1F ZINC000411174510 836077258 /nfs/dbraw/zinc/07/72/58/836077258.db2.gz SKPNBXBXMYRSFF-ZDUSSCGKSA-N 0 3 375.400 3.764 20 5 GHBDHN CCN(CC)C(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000120721552 836137949 /nfs/dbraw/zinc/13/79/49/836137949.db2.gz CDTGQVMBIQQHOW-UHFFFAOYSA-N 0 3 385.464 3.935 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2cccc(Cl)c2)CC1 ZINC000411468593 836185556 /nfs/dbraw/zinc/18/55/56/836185556.db2.gz INCSXGYUUJNJBS-UHFFFAOYSA-N 0 3 389.839 3.864 20 5 GHBDHN CC(C)(NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000431683902 836773095 /nfs/dbraw/zinc/77/30/95/836773095.db2.gz DKNRGDDFALRLKJ-FQEVSTJZSA-N 0 3 396.491 3.794 20 5 GHBDHN COc1ccc([C@H](C)NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000180269464 836915499 /nfs/dbraw/zinc/91/54/99/836915499.db2.gz PPSSLWDWENKMOD-ZDUSSCGKSA-N 0 3 384.411 3.994 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@H]2CC[C@@H](CO)O2)ccc1Oc1ccccc1Cl ZINC000560544676 838391401 /nfs/dbraw/zinc/39/14/01/838391401.db2.gz CRQQQEVKTTUGQF-CABCVRRESA-N 0 3 392.839 3.670 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412331513 838738306 /nfs/dbraw/zinc/73/83/06/838738306.db2.gz VNVWJLNGONDWKR-UHFFFAOYSA-N 0 3 381.476 3.895 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1ccco1 ZINC000412338102 838742406 /nfs/dbraw/zinc/74/24/06/838742406.db2.gz RSYKARVUNSVSKE-GOEBONIOSA-N 0 3 389.452 3.834 20 5 GHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(CC2CCCCC2)CC1 ZINC000049982079 838966430 /nfs/dbraw/zinc/96/64/30/838966430.db2.gz IRUQZCOKBIXLJF-INIZCTEOSA-N 0 3 399.495 3.904 20 5 GHBDHN Cc1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000549191874 839240364 /nfs/dbraw/zinc/24/03/64/839240364.db2.gz QIJJBZJYYHBGFP-INIZCTEOSA-N 0 3 376.844 3.981 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccco1 ZINC000580544859 839776589 /nfs/dbraw/zinc/77/65/89/839776589.db2.gz HOFPMQCYNDZTOA-OCCSQVGLSA-N 0 3 377.466 3.769 20 5 GHBDHN COC(=O)C(C)(C)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000512547290 844477836 /nfs/dbraw/zinc/47/78/36/844477836.db2.gz LLZHVTBHTFTRFO-UHFFFAOYSA-N 0 3 376.409 3.542 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000158069870 844490908 /nfs/dbraw/zinc/49/09/08/844490908.db2.gz HLOINPQMUAHFNW-GFCCVEGCSA-N 0 3 377.828 3.936 20 5 GHBDHN Cc1c([C@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cccc1[N+](=O)[O-] ZINC000177930459 840769194 /nfs/dbraw/zinc/76/91/94/840769194.db2.gz SMJSZDZERLOKCG-KRWDZBQOSA-N 0 3 377.444 3.964 20 5 GHBDHN COc1cc(CNCC(C)(C)Oc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1OC ZINC000512569297 844601957 /nfs/dbraw/zinc/60/19/57/844601957.db2.gz NPKCPJCULDMCOB-UHFFFAOYSA-N 0 3 396.390 3.837 20 5 GHBDHN CN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000600178194 861193944 /nfs/dbraw/zinc/19/39/44/861193944.db2.gz GWIFUWLAAPDKLC-IBGZPJMESA-N 0 3 392.839 3.624 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CN1Cc1ccccc1 ZINC000157928984 842174020 /nfs/dbraw/zinc/17/40/20/842174020.db2.gz MXRFLNOABZFOGM-RDJZCZTQSA-N 0 3 390.443 3.536 20 5 GHBDHN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600230523 861317507 /nfs/dbraw/zinc/31/75/07/861317507.db2.gz SZPMBRWYNUEYEC-AWEZNQCLSA-N 0 3 385.386 3.750 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c2ncccc12 ZINC000302783077 861363068 /nfs/dbraw/zinc/36/30/68/861363068.db2.gz KTEUKEYRMDCYDX-GOSISDBHSA-N 0 3 392.459 3.846 20 5 GHBDHN CC1CCN(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000603941783 861425731 /nfs/dbraw/zinc/42/57/31/861425731.db2.gz RHISIFYBTCSMPL-UHFFFAOYSA-N 0 3 396.491 3.669 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000510897442 843749917 /nfs/dbraw/zinc/74/99/17/843749917.db2.gz XUYUCIFVDMQFLT-NRFANRHFSA-N 0 3 396.491 3.616 20 5 GHBDHN CC1(C)C[C@@H](NCCNC(=O)c2c(F)cccc2F)c2cc([N+](=O)[O-])ccc21 ZINC000433291073 843979744 /nfs/dbraw/zinc/97/97/44/843979744.db2.gz YJUOGHADDDOOFB-QGZVFWFLSA-N 0 3 389.402 3.615 20 5 GHBDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433305332 843993242 /nfs/dbraw/zinc/99/32/42/843993242.db2.gz PSWYXZCBIMGNIY-XOBRGWDASA-N 0 3 392.459 3.705 20 5 GHBDHN Cc1c(CC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610969972 844938503 /nfs/dbraw/zinc/93/85/03/844938503.db2.gz JNFQTNCYSQOJBM-FQEVSTJZSA-N 0 3 381.476 3.789 20 5 GHBDHN CC[C@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000119520030 845484852 /nfs/dbraw/zinc/48/48/52/845484852.db2.gz SNXKWBJNWMOUEB-FPOVZHCZSA-N 0 3 381.476 3.869 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000731466755 861639234 /nfs/dbraw/zinc/63/92/34/861639234.db2.gz AEMZZCOFOQYWBO-PBHICJAKSA-N 0 3 385.489 3.595 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000072064403 846341520 /nfs/dbraw/zinc/34/15/20/846341520.db2.gz VUTUJBXWDIPMMQ-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN C[S@](=O)C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000183125485 846358853 /nfs/dbraw/zinc/35/88/53/846358853.db2.gz WNKSBWHJKSMKIY-JMQGSBJISA-N 0 3 399.472 3.502 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](c4nnc5n4CCC5)C3)o2)cc1 ZINC000119835574 846363414 /nfs/dbraw/zinc/36/34/14/846363414.db2.gz SYDXZYQGXKABMT-MRXNPFEDSA-N 0 3 393.447 3.772 20 5 GHBDHN CCOCc1ccccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236991113 846448418 /nfs/dbraw/zinc/44/84/18/846448418.db2.gz BIVOCFMFHAUUQC-UHFFFAOYSA-N 0 3 380.448 3.822 20 5 GHBDHN O=C(CCN1CCC[C@H]1c1cccc2c1OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000501114206 846662248 /nfs/dbraw/zinc/66/22/48/846662248.db2.gz CTORYBXISMVBFG-KRWDZBQOSA-N 0 3 397.431 3.532 20 5 GHBDHN COc1cc(CN(C)CCn2ccc([N+](=O)[O-])n2)ccc1OCc1ccccc1 ZINC000478415319 847076879 /nfs/dbraw/zinc/07/68/79/847076879.db2.gz GRHQUOMJYJYCCX-UHFFFAOYSA-N 0 3 396.447 3.511 20 5 GHBDHN C[C@H]1CCCCN1CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000494257858 881342028 /nfs/dbraw/zinc/34/20/28/881342028.db2.gz VDDTZMJPNSBRHI-KRWDZBQOSA-N 0 3 397.475 3.778 20 5 GHBDHN C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000505580692 849960138 /nfs/dbraw/zinc/96/01/38/849960138.db2.gz HWIWFUFBEWMMLX-LIRRHRJNSA-N 0 3 387.455 3.819 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000514807040 850316112 /nfs/dbraw/zinc/31/61/12/850316112.db2.gz SOQLQVWXWYDIPS-HRAATJIYSA-N 0 3 399.491 3.905 20 5 GHBDHN COc1ccc(CN2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000505253881 850760562 /nfs/dbraw/zinc/76/05/62/850760562.db2.gz IIZXTWRDYXUOPS-QPJJXVBHSA-N 0 3 381.476 3.825 20 5 GHBDHN C[C@@H](C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000425017642 850868479 /nfs/dbraw/zinc/86/84/79/850868479.db2.gz ZJWZSXAYRPMVFV-LDBYXDLTSA-N 0 3 397.450 3.570 20 5 GHBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000162941314 862221256 /nfs/dbraw/zinc/22/12/56/862221256.db2.gz JZLSSXPGUYEEQL-HOTGVXAUSA-N 0 3 397.475 3.972 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C)c(C)c2)CC1 ZINC000604562479 862277530 /nfs/dbraw/zinc/27/75/30/862277530.db2.gz UAIOVXARMZFGQW-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(C)c1OC(F)F ZINC000425976428 852215914 /nfs/dbraw/zinc/21/59/14/852215914.db2.gz GKFKYWCFXKLIDR-UHFFFAOYSA-N 0 3 380.395 3.847 20 5 GHBDHN Cc1cc(F)cc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000150852545 852470369 /nfs/dbraw/zinc/47/03/69/852470369.db2.gz VJHGSHWFWRGUDI-UGSOOPFHSA-N 0 3 391.468 3.917 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000732645808 862402367 /nfs/dbraw/zinc/40/23/67/862402367.db2.gz SBUPMAXVNVVSEZ-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN CC1(C)[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OCc1ccccc1 ZINC000517048216 853306257 /nfs/dbraw/zinc/30/62/57/853306257.db2.gz NLXFVMNSJBCYFI-OALUTQOASA-N 0 3 383.448 3.507 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000588208920 854232266 /nfs/dbraw/zinc/23/22/66/854232266.db2.gz ADMUZRYXBKENDA-FUHWJXTLSA-N 0 3 388.489 3.864 20 5 GHBDHN CCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000458894488 854477317 /nfs/dbraw/zinc/47/73/17/854477317.db2.gz YQYYQHZQLTXMKK-UWJYYQICSA-N 0 3 396.491 3.962 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441069 855421217 /nfs/dbraw/zinc/42/12/17/855421217.db2.gz AGCUXWFAUKEDTM-WBVHZDCISA-N 0 3 377.510 3.509 20 5 GHBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)[C@@H]2C1 ZINC000590444261 855423512 /nfs/dbraw/zinc/42/35/12/855423512.db2.gz NJWYCCWIBMTEAV-RDTXWAMCSA-N 0 3 383.473 3.522 20 5 GHBDHN COc1cc(CN[C@@H]2CCCSC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000553856067 855520663 /nfs/dbraw/zinc/52/06/63/855520663.db2.gz REDIARQVVDXJKQ-LLVKDONJSA-N 0 3 380.388 3.530 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000018017091 855656984 /nfs/dbraw/zinc/65/69/84/855656984.db2.gz UBTXSQXDNRYANN-NRFANRHFSA-N 0 3 396.491 3.764 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC(c2ccccc2)c2ccccc2)c1 ZINC000026711460 856216783 /nfs/dbraw/zinc/21/67/83/856216783.db2.gz JPGUJJFSDTUIRJ-FQEVSTJZSA-N 0 3 378.428 3.714 20 5 GHBDHN CC(C)c1noc(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000172118277 856344082 /nfs/dbraw/zinc/34/40/82/856344082.db2.gz FFGKQPVKXCYWSU-UHFFFAOYSA-N 0 3 387.465 3.947 20 5 GHBDHN Cc1nc(CCN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cs1 ZINC000592133130 856678970 /nfs/dbraw/zinc/67/89/70/856678970.db2.gz SXWYEJHLJCUQFB-IYARVYRRSA-N 0 3 375.494 3.708 20 5 GHBDHN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592695298 857028119 /nfs/dbraw/zinc/02/81/19/857028119.db2.gz YJEMFDIKUBCDGK-GOSISDBHSA-N 0 3 385.439 3.859 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000041299918 857199323 /nfs/dbraw/zinc/19/93/23/857199323.db2.gz SMYRDYGKMOGVNN-SFHVURJKSA-N 0 3 387.505 3.788 20 5 GHBDHN C[C@@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183525 857222375 /nfs/dbraw/zinc/22/23/75/857222375.db2.gz NFAIOPYLQPUXBA-UTKZUKDTSA-N 0 3 396.491 3.962 20 5 GHBDHN O=C(CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1F ZINC000174802599 857386908 /nfs/dbraw/zinc/38/69/08/857386908.db2.gz HNSLRTFROWOTLR-UHFFFAOYSA-N 0 3 387.411 3.606 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H](C)COCC(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000520956833 857436931 /nfs/dbraw/zinc/43/69/31/857436931.db2.gz DLSMHFQVPXTMPE-NSHDSACASA-N 0 3 388.342 3.920 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2)CC1 ZINC000113520541 857542447 /nfs/dbraw/zinc/54/24/47/857542447.db2.gz BDUQFWLGDXNLIC-UHFFFAOYSA-N 0 3 397.479 3.998 20 5 GHBDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001129152945 857704593 /nfs/dbraw/zinc/70/45/93/857704593.db2.gz VAESOBOWPQFLII-JXFKEZNVSA-N 0 3 377.460 3.513 20 5 GHBDHN CCCNC(=O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000129175893 858023589 /nfs/dbraw/zinc/02/35/89/858023589.db2.gz IBZOFGZHQQGXDB-UHFFFAOYSA-N 0 3 375.400 3.532 20 5 GHBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000078956913 858320491 /nfs/dbraw/zinc/32/04/91/858320491.db2.gz GIADXLAMTWYRGZ-MRXNPFEDSA-N 0 3 383.448 3.991 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000595031673 858373830 /nfs/dbraw/zinc/37/38/30/858373830.db2.gz BEHRHWWHHNJMPU-LBPRGKRZSA-N 0 3 399.369 3.833 20 5 GHBDHN Cc1cc(N2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)ccc1[N+](=O)[O-] ZINC000856536126 881347874 /nfs/dbraw/zinc/34/78/74/881347874.db2.gz ONNWXQPNVLOBAL-FQEVSTJZSA-N 0 3 384.480 3.796 20 5 GHBDHN CN(C)Cc1ccc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc1 ZINC000272800143 881358070 /nfs/dbraw/zinc/35/80/70/881358070.db2.gz UHOUZHZMSCSSIB-SFHVURJKSA-N 0 3 393.403 3.572 20 5 GHBDHN COc1ccc(C[C@@H](C)N(Cc2ccccc2)CC(OC)OC)c([N+](=O)[O-])c1 ZINC001170329900 881367501 /nfs/dbraw/zinc/36/75/01/881367501.db2.gz WLLQTXZVBIHCTE-MRXNPFEDSA-N 0 3 388.464 3.656 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000596788099 859075732 /nfs/dbraw/zinc/07/57/32/859075732.db2.gz PMOOUBRGDSDWFP-UHFFFAOYSA-N 0 3 397.479 3.640 20 5 GHBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC(C)(C)C1 ZINC000483122290 859152783 /nfs/dbraw/zinc/15/27/83/859152783.db2.gz NUZIVTMGNIGNKH-LBPRGKRZSA-N 0 3 384.274 3.806 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000593410332 859767123 /nfs/dbraw/zinc/76/71/23/859767123.db2.gz PZZDPOMHXYWLDE-KRWDZBQOSA-N 0 3 379.457 3.537 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611554402 859802928 /nfs/dbraw/zinc/80/29/28/859802928.db2.gz OOBPEHOTPJHMEJ-NEPJUHHUSA-N 0 3 389.374 3.595 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC(O)(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170347137 881471104 /nfs/dbraw/zinc/47/11/04/881471104.db2.gz QMZRSHXFMGHYOJ-OAHLLOKOSA-N 0 3 388.439 3.657 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000474352760 859906188 /nfs/dbraw/zinc/90/61/88/859906188.db2.gz GCOHXYNBYRBDFA-NRFANRHFSA-N 0 3 384.432 3.778 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000161497906 860005775 /nfs/dbraw/zinc/00/57/75/860005775.db2.gz GLPHOLIOEJCTIZ-GOSISDBHSA-N 0 3 375.494 3.707 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@H]2CCO[C@]3(CCSC3)C2)cc1Br ZINC000602567930 860119695 /nfs/dbraw/zinc/11/96/95/860119695.db2.gz HBMJUVYIOOCWJB-TVQRCGJNSA-N 0 3 393.328 3.563 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](c3ccco3)c3ccccc3)CC2)cn1 ZINC000602594230 860134961 /nfs/dbraw/zinc/13/49/61/860134961.db2.gz WHUCXYCPQKFEGT-NRFANRHFSA-N 0 3 378.432 3.931 20 5 GHBDHN C[C@@H](O)CCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093481880 860282947 /nfs/dbraw/zinc/28/29/47/860282947.db2.gz HGIQNWXUCBJUCS-MRXNPFEDSA-N 0 3 380.448 3.650 20 5 GHBDHN C[C@H]1Cc2cc(CNCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000922702415 860508753 /nfs/dbraw/zinc/50/87/53/860508753.db2.gz KSNBKMYEWNDSNM-AWEZNQCLSA-N 0 3 378.432 3.609 20 5 GHBDHN CC(C)C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N(C)C ZINC000444010010 863144589 /nfs/dbraw/zinc/14/45/89/863144589.db2.gz LKRVBKLOYXMSHA-CQSZACIVSA-N 0 3 383.467 3.527 20 5 GHBDHN CN(CC[C@H]1CCCCN1C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444082214 863336490 /nfs/dbraw/zinc/33/64/90/863336490.db2.gz NGSLNMAZABKOAS-OAHLLOKOSA-N 0 3 395.478 3.767 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)c2ccccc2Cl)c1 ZINC000554720105 864794282 /nfs/dbraw/zinc/79/42/82/864794282.db2.gz HHWGNHPKJNRIMT-GFCCVEGCSA-N 0 3 386.782 3.715 20 5 GHBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792932595 881823064 /nfs/dbraw/zinc/82/30/64/881823064.db2.gz FGGFVIBGOYPIIG-SUMWQHHRSA-N 0 3 376.840 3.758 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000554849297 865037566 /nfs/dbraw/zinc/03/75/66/865037566.db2.gz XQRWKJCLIXNRCY-INIZCTEOSA-N 0 3 398.381 3.528 20 5 GHBDHN CCCCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000554852459 865044195 /nfs/dbraw/zinc/04/41/95/865044195.db2.gz ZYDUYJPEQIIATL-MORSLUCNSA-N 0 3 393.484 3.504 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000608793182 865730146 /nfs/dbraw/zinc/73/01/46/865730146.db2.gz QWDDMKCOXPANGS-HXUWFJFHSA-N 0 3 382.464 3.540 20 5 GHBDHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475561444 866300247 /nfs/dbraw/zinc/30/02/47/866300247.db2.gz QMRCDYHHMWWFIW-NRFANRHFSA-N 0 3 396.491 3.520 20 5 GHBDHN COc1cccc(C[C@@H]2CCCN2Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000534343994 866588525 /nfs/dbraw/zinc/58/85/25/866588525.db2.gz FJAVKTTUAYLCGX-KRWDZBQOSA-N 0 3 386.448 3.828 20 5 GHBDHN Cc1c(NC(=O)CCN2CC[C@H](Oc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000183356648 866641185 /nfs/dbraw/zinc/64/11/85/866641185.db2.gz MMIAQYHLRCAYGW-KRWDZBQOSA-N 0 3 387.411 3.524 20 5 GHBDHN Cc1c(CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478793750 866643951 /nfs/dbraw/zinc/64/39/51/866643951.db2.gz JFAPDHCJICVFEH-VQIMIIECSA-N 0 3 382.464 3.538 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H](c2cccs2)N(C)C)cc1Cl ZINC000741747383 866752067 /nfs/dbraw/zinc/75/20/67/866752067.db2.gz QONYJVCUGCPCEE-CQSZACIVSA-N 0 3 383.857 3.811 20 5 GHBDHN C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)OC(C)(C)C ZINC000793216336 882014185 /nfs/dbraw/zinc/01/41/85/882014185.db2.gz YJBVGQOVTDKGJN-CYBMUJFWSA-N 0 3 375.425 3.858 20 5 GHBDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000456775069 867117712 /nfs/dbraw/zinc/11/77/12/867117712.db2.gz CKBWYZJJJAYUDT-UHFFFAOYSA-N 0 3 389.839 3.974 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCN(C4CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000524171135 868686909 /nfs/dbraw/zinc/68/69/09/868686909.db2.gz JOYFHEOVARCZOQ-QGZVFWFLSA-N 0 3 380.448 3.804 20 5 GHBDHN C[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183983180 868860280 /nfs/dbraw/zinc/86/02/80/868860280.db2.gz RZLOCVRBAPLRAA-MAUKXSAKSA-N 0 3 385.439 3.618 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CN1C1CC1 ZINC000440922676 869244966 /nfs/dbraw/zinc/24/49/66/869244966.db2.gz CWACZUIPMIZALW-LSDHHAIUSA-N 0 3 381.432 3.742 20 5 GHBDHN CCOc1ccc([C@H](C)NCCNC(=O)c2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000152827713 869246348 /nfs/dbraw/zinc/24/63/48/869246348.db2.gz WDOVNYZVIKPXRS-AWEZNQCLSA-N 0 3 389.427 3.522 20 5 GHBDHN C[C@@H]1CN(C)CCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538729013 870451482 /nfs/dbraw/zinc/45/14/82/870451482.db2.gz LCAHUVSJOVURLQ-QGZVFWFLSA-N 0 3 391.475 3.583 20 5 GHBDHN CC1(C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1 ZINC000857635998 882416448 /nfs/dbraw/zinc/41/64/48/882416448.db2.gz DQMWSFVLFOXJMV-UHFFFAOYSA-N 0 3 399.403 3.711 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000540189980 870682673 /nfs/dbraw/zinc/68/26/73/870682673.db2.gz YRWAIASPFROQHX-ACJLOTCBSA-N 0 3 387.411 3.955 20 5 GHBDHN C[C@H](N)c1ccn(-c2nc3ccsc3c(Oc3cccc([N+](=O)[O-])c3)n2)n1 ZINC001169228102 871320079 /nfs/dbraw/zinc/32/00/79/871320079.db2.gz MSLUGNLKMOTGQF-JTQLQIEISA-N 0 3 382.405 3.597 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000540589410 871691625 /nfs/dbraw/zinc/69/16/25/871691625.db2.gz VVJWIPCOGYJSTJ-VBKZILBWSA-N 0 3 383.448 3.980 20 5 GHBDHN Cc1ccccc1[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000539357848 871754559 /nfs/dbraw/zinc/75/45/59/871754559.db2.gz KZNVHLKKFUFIOF-FQEVSTJZSA-N 0 3 399.447 3.947 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000462190727 871758051 /nfs/dbraw/zinc/75/80/51/871758051.db2.gz QLOLXYNCZSFUED-FOIQADDNSA-N 0 3 399.466 3.648 20 5 GHBDHN COc1ccc(CN2CCC23CCOCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000618614634 871771290 /nfs/dbraw/zinc/77/12/90/871771290.db2.gz FHPDSXFZYXOBEY-UHFFFAOYSA-N 0 3 398.459 3.937 20 5 GHBDHN COc1cc([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1OCCO ZINC000447553845 871785840 /nfs/dbraw/zinc/78/58/40/871785840.db2.gz XYNPQYCGRIOFTC-AUUYWEPGSA-N 0 3 386.448 3.703 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccccc2Br)n1 ZINC000447538804 871805947 /nfs/dbraw/zinc/80/59/47/871805947.db2.gz DJFAGDQNXWJPSE-HUUCEWRRSA-N 0 3 379.258 3.827 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462192345 871820959 /nfs/dbraw/zinc/82/09/59/871820959.db2.gz BLAOUEICJPJMHQ-GUXCAODWSA-N 0 3 399.516 3.712 20 5 GHBDHN CCOc1cc(CN2[C@H](C)C[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000525996894 871838216 /nfs/dbraw/zinc/83/82/16/871838216.db2.gz REJWKNDGQPZZHH-HUUCEWRRSA-N 0 3 388.468 3.560 20 5 GHBDHN CC(C)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182448952 872351586 /nfs/dbraw/zinc/35/15/86/872351586.db2.gz KXZMRWHETSMNAB-LIRRHRJNSA-N 0 3 380.391 3.600 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182852606 872834944 /nfs/dbraw/zinc/83/49/44/872834944.db2.gz SJUKUTBVTNJGNH-CQSZACIVSA-N 0 3 384.358 3.526 20 5 GHBDHN CC(C)(C)O[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC001196123221 872908739 /nfs/dbraw/zinc/90/87/39/872908739.db2.gz DUSXTDYHNXJIEW-HZPDHXFCSA-N 0 3 395.887 3.903 20 5 GHBDHN CC1(C)CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000448373901 873287753 /nfs/dbraw/zinc/28/77/53/873287753.db2.gz REKRYFPGEGNRSM-FQEVSTJZSA-N 0 3 392.459 3.650 20 5 GHBDHN Cc1c(Br)c(NC[C@@H](c2cccs2)N(C)C)ncc1[N+](=O)[O-] ZINC000541590632 873901550 /nfs/dbraw/zinc/90/15/50/873901550.db2.gz BBBYCPADMGKOAG-NSHDSACASA-N 0 3 385.287 3.837 20 5 GHBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000769997444 874392268 /nfs/dbraw/zinc/39/22/68/874392268.db2.gz KDXRJTGMZVXBMU-MRXNPFEDSA-N 0 3 388.855 3.986 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000449543890 875006683 /nfs/dbraw/zinc/00/66/83/875006683.db2.gz UYWSHUNVTOUPMX-RHSMWYFYSA-N 0 3 379.363 3.601 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)COc3ccc(F)cc3)o2)c1 ZINC001199689171 875129966 /nfs/dbraw/zinc/12/99/66/875129966.db2.gz OORINALQEYDZST-KRWDZBQOSA-N 0 3 386.379 3.523 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H](O)CCc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000542313178 875352053 /nfs/dbraw/zinc/35/20/53/875352053.db2.gz NSYGQZWSALDOGY-QGZVFWFLSA-N 0 3 396.443 3.947 20 5 GHBDHN CCc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000746512707 875441011 /nfs/dbraw/zinc/44/10/11/875441011.db2.gz WFQUBLIUIRVTHG-UYAOXDASSA-N 0 3 379.460 3.914 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000776275299 876143937 /nfs/dbraw/zinc/14/39/37/876143937.db2.gz CRFIXCASYPYTGO-QAPCUYQASA-N 0 3 387.505 3.843 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3nc(C)cc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000450790121 876892875 /nfs/dbraw/zinc/89/28/75/876892875.db2.gz XRZVKXFIRVNBRE-UHFFFAOYSA-N 0 3 397.479 3.642 20 5 GHBDHN CCOc1ccc(C(=O)OCC2CCN(Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000772693181 877070929 /nfs/dbraw/zinc/07/09/29/877070929.db2.gz KHXIPNGRGQIWDE-UHFFFAOYSA-N 0 3 388.420 3.656 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000477283642 877354592 /nfs/dbraw/zinc/35/45/92/877354592.db2.gz WOPGHAIMONHXOZ-UHFFFAOYSA-N 0 3 397.928 3.648 20 5 GHBDHN CS[C@@H](CO)[C@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610090203 877386289 /nfs/dbraw/zinc/38/62/89/877386289.db2.gz UVRQFQPPGFDDOF-LIRRHRJNSA-N 0 3 375.494 3.565 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000451101074 877392603 /nfs/dbraw/zinc/39/26/03/877392603.db2.gz ATEZRAKDUVZOOM-SWLSCSKDSA-N 0 3 384.354 3.704 20 5 GHBDHN CC(C)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCc2ccccc2C1 ZINC000531332897 879640593 /nfs/dbraw/zinc/64/05/93/879640593.db2.gz LNBJQQKQWMERSZ-UHFFFAOYSA-N 0 3 394.475 3.728 20 5 GHBDHN C[C@]1(Br)C[C@@H]1CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC001183532189 912640489 /nfs/dbraw/zinc/64/04/89/912640489.db2.gz BVWYJOVGADHAPB-SKDRFNHKSA-N 0 3 378.064 3.620 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000499111424 881159931 /nfs/dbraw/zinc/15/99/31/881159931.db2.gz ODQZEMSGLDAALG-KRWDZBQOSA-N 0 3 376.501 3.872 20 5 GHBDHN Cc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)cc1[N+](=O)[O-] ZINC000551090464 883272221 /nfs/dbraw/zinc/27/22/21/883272221.db2.gz DUHSSIXCEPBKTK-FQEVSTJZSA-N 0 3 396.491 3.682 20 5 GHBDHN CC(=O)c1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c([N+](=O)[O-])c1 ZINC000804812430 883373692 /nfs/dbraw/zinc/37/36/92/883373692.db2.gz NZYWPRAGMXOAMH-QFIPXVFZSA-N 0 3 379.460 3.900 20 5 GHBDHN CC(C)c1ccc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000609708241 883566542 /nfs/dbraw/zinc/56/65/42/883566542.db2.gz XFFKSXHROKBRQY-HSZRJFAPSA-N 0 3 397.519 3.835 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000806948947 885141202 /nfs/dbraw/zinc/14/12/02/885141202.db2.gz BFRISXPBBLMARN-WBMJQRKESA-N 0 3 394.859 3.770 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000806948944 885141399 /nfs/dbraw/zinc/14/13/99/885141399.db2.gz BFRISXPBBLMARN-BLLLJJGKSA-N 0 3 394.859 3.770 20 5 GHBDHN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000806949508 885141595 /nfs/dbraw/zinc/14/15/95/885141595.db2.gz GEGCEKYMKACPTN-SCLBCKFNSA-N 0 3 390.871 3.739 20 5 GHBDHN CC[C@@H](N[C@H](CN1CCN(C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532480988 885800578 /nfs/dbraw/zinc/80/05/78/885800578.db2.gz LEZSOKHWIAXERK-FGZHOGPDSA-N 0 3 382.508 3.624 20 5 GHBDHN C[C@H]1[C@H](Cc2ccccc2)CCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747468439 886157758 /nfs/dbraw/zinc/15/77/58/886157758.db2.gz RJIVGEXSJDGVCC-WMZOPIPTSA-N 0 3 377.448 3.764 20 5 GHBDHN COC(=O)C1=CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000862465428 886395001 /nfs/dbraw/zinc/39/50/01/886395001.db2.gz QQLUUEFKDNEYTI-LBPRGKRZSA-N 0 3 376.796 3.860 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(Cl)c1 ZINC000808798829 886797463 /nfs/dbraw/zinc/79/74/63/886797463.db2.gz CDKWXHRRHLSMLZ-KRWDZBQOSA-N 0 3 395.818 3.693 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000794666336 887710696 /nfs/dbraw/zinc/71/06/96/887710696.db2.gz CFKZOAJRZUFGFU-BDTNDASRSA-N 0 3 378.428 3.693 20 5 GHBDHN COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194061581 887995670 /nfs/dbraw/zinc/99/56/70/887995670.db2.gz CTIRWPVULDKFTL-KBPBESRZSA-N 0 3 387.436 3.680 20 5 GHBDHN O=C(Nc1ccc(F)cc1)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194248816 888145739 /nfs/dbraw/zinc/14/57/39/888145739.db2.gz GGOKBZICFOAQEJ-UHFFFAOYSA-N 0 3 386.427 3.563 20 5 GHBDHN COc1c(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001132118645 888222771 /nfs/dbraw/zinc/22/27/71/888222771.db2.gz VCEZNFSFPYURPO-GOSISDBHSA-N 0 3 397.475 3.778 20 5 GHBDHN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1(C)OCCO1 ZINC000865674218 888510649 /nfs/dbraw/zinc/51/06/49/888510649.db2.gz IVGIDESVTGYWBE-CYBMUJFWSA-N 0 3 377.466 3.597 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000465521178 888808960 /nfs/dbraw/zinc/80/89/60/888808960.db2.gz ARWDSIDVVDXPDP-GOSISDBHSA-N 0 3 390.509 3.581 20 5 GHBDHN O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533054791 889634632 /nfs/dbraw/zinc/63/46/32/889634632.db2.gz QZDGTZHMZQQNQL-OAQYLSRUSA-N 0 3 383.423 3.754 20 5 GHBDHN CN(C)C(=O)c1cccc(CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811480407 889665604 /nfs/dbraw/zinc/66/56/04/889665604.db2.gz XDPZMSYHXLILJK-UHFFFAOYSA-N 0 3 396.274 3.936 20 5 GHBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001170681385 890783775 /nfs/dbraw/zinc/78/37/75/890783775.db2.gz PSBLGSPNISWMSB-AWEZNQCLSA-N 0 3 386.415 3.924 20 5 GHBDHN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103794 891275096 /nfs/dbraw/zinc/27/50/96/891275096.db2.gz UCBKOQQOOGLDMU-SNVBAGLBSA-N 0 3 382.825 3.784 20 5 GHBDHN Cc1nc(CCC(=O)OCC(C)[N+](=O)[O-])oc1-c1ccc(Br)cc1 ZINC000813106416 891302371 /nfs/dbraw/zinc/30/23/71/891302371.db2.gz CQIVPGUAYUVSCV-JTQLQIEISA-N 0 3 397.225 3.554 20 5 GHBDHN Cc1nn(C)c(NCC2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000301204298 891314015 /nfs/dbraw/zinc/31/40/15/891314015.db2.gz RQJFKVNPHIBVSZ-UHFFFAOYSA-N 0 3 377.876 3.614 20 5 GHBDHN CN(CCc1cnccn1)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000508675437 891956885 /nfs/dbraw/zinc/95/68/85/891956885.db2.gz GILCXVWOXJZBJU-UHFFFAOYSA-N 0 3 377.448 3.827 20 5 GHBDHN CC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000216780604 892253980 /nfs/dbraw/zinc/25/39/80/892253980.db2.gz RJESVOUHNWCCOG-INIZCTEOSA-N 0 3 377.828 3.936 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000814175772 892331535 /nfs/dbraw/zinc/33/15/35/892331535.db2.gz JSJUXAQOVBCLGL-SJLPKXTDSA-N 0 3 375.469 3.735 20 5 GHBDHN CN(C)c1ccc(N2CCC(NCc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000877066195 893466506 /nfs/dbraw/zinc/46/65/06/893466506.db2.gz GALHNDCFAGMFLO-UHFFFAOYSA-N 0 3 395.463 3.561 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000877174741 893522064 /nfs/dbraw/zinc/52/20/64/893522064.db2.gz VDDHPGPMRBTPAT-IBGZPJMESA-N 0 3 385.508 3.826 20 5 GHBDHN COc1ccccc1[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609280849 893875428 /nfs/dbraw/zinc/87/54/28/893875428.db2.gz QSLKNLZCUIIOJW-FXAWDEMLSA-N 0 3 386.448 3.570 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459658015 893999593 /nfs/dbraw/zinc/99/95/93/893999593.db2.gz IOMPZSJXEVKDRT-MRXNPFEDSA-N 0 3 388.386 3.655 20 5 GHBDHN C[C@H](C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000564005858 894443254 /nfs/dbraw/zinc/44/32/54/894443254.db2.gz QYGDENZRRYAPOZ-SJORKVTESA-N 0 3 399.466 3.960 20 5 GHBDHN COC(=O)Cc1ccc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC001185584792 913975388 /nfs/dbraw/zinc/97/53/88/913975388.db2.gz STLFVMCDPZEOGU-SFHVURJKSA-N 0 3 391.855 3.679 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@H](C4CCOCC4)C3)o2)cc1 ZINC000880575200 895754217 /nfs/dbraw/zinc/75/42/17/895754217.db2.gz VHAFBSARRZERSU-KRWDZBQOSA-N 0 3 386.452 3.674 20 5 GHBDHN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc2ccccc21 ZINC000302907957 914052891 /nfs/dbraw/zinc/05/28/91/914052891.db2.gz FILIORHIJGOQLE-HNNXBMFYSA-N 0 3 375.428 3.988 20 5 GHBDHN O=C(Nc1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1)C1CCCCC1 ZINC000818979577 896299471 /nfs/dbraw/zinc/29/94/71/896299471.db2.gz QGOWXWRVPQPLBB-OAQYLSRUSA-N 0 3 397.475 3.937 20 5 GHBDHN Cc1c(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000130113147 896982440 /nfs/dbraw/zinc/98/24/40/896982440.db2.gz OUFOVTZZGUMQTP-UHFFFAOYSA-N 0 3 398.419 3.805 20 5 GHBDHN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CNC4)cc2[N+](=O)[O-])C1 ZINC000567463690 897179932 /nfs/dbraw/zinc/17/99/32/897179932.db2.gz YXCGPYOGMFBHPZ-GASCZTMLSA-N 0 3 394.475 3.933 20 5 GHBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000567915311 897486023 /nfs/dbraw/zinc/48/60/23/897486023.db2.gz NMCVTCYITUZUIP-MGPUTAFESA-N 0 3 398.482 3.824 20 5 GHBDHN CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000113094511 898959882 /nfs/dbraw/zinc/95/98/82/898959882.db2.gz ULOKZORLOZGQNZ-UHFFFAOYSA-N 0 3 389.402 3.610 20 5 GHBDHN Cn1ccnc1[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000825325873 900094365 /nfs/dbraw/zinc/09/43/65/900094365.db2.gz HTCQZLZWQMWXKH-JSGCOSHPSA-N 0 3 385.251 3.645 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)C[C@H]3c3ccc(F)cc3)o2)c1 ZINC000572383910 900164725 /nfs/dbraw/zinc/16/47/25/900164725.db2.gz SDCIRUSSMRQDNM-OALUTQOASA-N 0 3 397.406 3.739 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000575485681 901242228 /nfs/dbraw/zinc/24/22/28/901242228.db2.gz YURXDYVLZRXGDK-LJQANCHMSA-N 0 3 387.505 3.587 20 5 GHBDHN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCN(CC2CCC2)CC1 ZINC000576247162 901865184 /nfs/dbraw/zinc/86/51/84/901865184.db2.gz ZTSBSSXUHQJFIY-UHFFFAOYSA-N 0 3 389.499 3.629 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000576507155 902065402 /nfs/dbraw/zinc/06/54/02/902065402.db2.gz XOBVZURACTZGNE-HKUYNNGSSA-N 0 3 375.856 3.792 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000576507157 902065464 /nfs/dbraw/zinc/06/54/64/902065464.db2.gz XOBVZURACTZGNE-MJGOQNOKSA-N 0 3 375.856 3.792 20 5 GHBDHN Cc1ccc(CN(C)C[C@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC001171179786 902101244 /nfs/dbraw/zinc/10/12/44/902101244.db2.gz OPWFURQSPLEYKL-KRWDZBQOSA-N 0 3 379.254 3.831 20 5 GHBDHN CCC(=O)c1ccc(OCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872667 902472255 /nfs/dbraw/zinc/47/22/55/902472255.db2.gz LKDQSHIHMSVDOZ-RBZFPXEDSA-N 0 3 389.379 3.747 20 5 GHBDHN CC(C)C(=O)Nc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874434 902476637 /nfs/dbraw/zinc/47/66/37/902476637.db2.gz IIYCTAALMWPTAN-FZKQIMNGSA-N 0 3 388.395 3.984 20 5 GHBDHN COc1ccc(C(=O)CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874987 902479790 /nfs/dbraw/zinc/47/97/90/902479790.db2.gz JLLIDKSOVXWCJY-XCLFUZPHSA-N 0 3 389.379 3.747 20 5 GHBDHN COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876777 902480572 /nfs/dbraw/zinc/48/05/72/902480572.db2.gz OOPJMXYTPAKEGM-UVARLRKDSA-N 0 3 389.379 3.650 20 5 GHBDHN CC([C@H](OC(=O)[C@H]1CCN(c2ccccc2F)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883513 902486711 /nfs/dbraw/zinc/48/67/11/902486711.db2.gz UEPFUNZSNSPNRD-TYILLQQXSA-N 0 3 390.386 3.741 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845884052 902489731 /nfs/dbraw/zinc/48/97/31/902489731.db2.gz WXSYYFFXMQQHMI-WFGGJUAMSA-N 0 3 398.431 3.625 20 5 GHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847013195 903396627 /nfs/dbraw/zinc/39/66/27/903396627.db2.gz GMYSOUWOAGVDRE-OAHLLOKOSA-N 0 3 375.469 3.989 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCc4c(O)cccc4C3)CC2)c(F)c1 ZINC001173010815 906087202 /nfs/dbraw/zinc/08/72/02/906087202.db2.gz ZUQDNAOFLYESDC-UHFFFAOYSA-N 0 3 389.402 3.606 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cnccc2C(F)(F)F)c1F ZINC001173175304 906251595 /nfs/dbraw/zinc/25/15/95/906251595.db2.gz MUALWSGGAJOATI-SNVBAGLBSA-N 0 3 387.333 3.877 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ncccc2C(F)(F)F)c1F ZINC001173176386 906253657 /nfs/dbraw/zinc/25/36/57/906253657.db2.gz IFJPTTYQBVCVIN-SNVBAGLBSA-N 0 3 387.333 3.877 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](c2ccc(F)cn2)C2CC2)c1F ZINC001173182341 906263140 /nfs/dbraw/zinc/26/31/40/906263140.db2.gz SCEFOMZXAPQKIR-JEOXALJRSA-N 0 3 377.391 3.949 20 5 GHBDHN CC(C)N(C)Cc1cnc2n1CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC001173225347 906307575 /nfs/dbraw/zinc/30/75/75/906307575.db2.gz JJCWZJXUPXFFDW-IAGOWNOFSA-N 0 3 385.512 3.639 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173228989 906312784 /nfs/dbraw/zinc/31/27/84/906312784.db2.gz PCNJYFGPLFDMJU-DOTOQJQBSA-N 0 3 377.485 3.905 20 5 GHBDHN CCC[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000178299409 906324033 /nfs/dbraw/zinc/32/40/33/906324033.db2.gz ZKMUVXYZTDKLRT-LJQANCHMSA-N 0 3 376.478 3.770 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000192760388 908822233 /nfs/dbraw/zinc/82/22/33/908822233.db2.gz XODSIHYXEDZCEX-UWVAXJGDSA-N 0 3 397.475 3.988 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795219602 909354018 /nfs/dbraw/zinc/35/40/18/909354018.db2.gz NSAJBLLRFDSNIK-UHFFFAOYSA-N 0 3 386.408 3.665 20 5 GHBDHN C[C@@H](CCNCc1cc([N+](=O)[O-])ccc1OC(F)F)NC(=O)OC(C)(C)C ZINC001179376335 909512812 /nfs/dbraw/zinc/51/28/12/909512812.db2.gz QMOLAJJVHLLPJQ-NSHDSACASA-N 0 3 389.399 3.589 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCC4(CCOCC4)CO3)o2)c1 ZINC001179468815 909542219 /nfs/dbraw/zinc/54/22/19/909542219.db2.gz PWZVKQZTPPZFHV-GOSISDBHSA-N 0 3 386.448 3.920 20 5 GHBDHN C[C@]1(CNCc2cc(Br)c([N+](=O)[O-])s2)CCO[C@@H]1C1CC1 ZINC001180593921 910260995 /nfs/dbraw/zinc/26/09/95/910260995.db2.gz PZFMIKDCLNJXKR-TZMCWYRMSA-N 0 3 375.288 3.714 20 5 GHBDHN O=C(CCN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000409864255 925079240 /nfs/dbraw/zinc/07/92/40/925079240.db2.gz LUEDUCCOOMIBPT-KRWDZBQOSA-N 0 3 397.431 3.532 20 5 GHBDHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000725811412 926452507 /nfs/dbraw/zinc/45/25/07/926452507.db2.gz GLJYIXLYPHQJMP-KRWDZBQOSA-N 0 3 393.484 3.695 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127811 927128705 /nfs/dbraw/zinc/12/87/05/927128705.db2.gz LWCKQOUCLWLUAB-VOQZNFBZSA-N 0 3 393.487 3.821 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@]3(O)CCc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000752123325 928625377 /nfs/dbraw/zinc/62/53/77/928625377.db2.gz RSPPYFVFZUFAPD-JOCHJYFZSA-N 0 3 394.427 3.787 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccc1F)C1CCCC1 ZINC000544119685 928829758 /nfs/dbraw/zinc/82/97/58/928829758.db2.gz CZVNDDORWHBXLZ-IERDGZPVSA-N 0 3 388.439 3.995 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000544519532 929254435 /nfs/dbraw/zinc/25/44/35/929254435.db2.gz VMXCRPFSBQMKPJ-SYTFOFBDSA-N 0 3 389.839 3.730 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467690208 929306407 /nfs/dbraw/zinc/30/64/07/929306407.db2.gz CCJRBQCWZQGZAK-HNAYVOBHSA-N 0 3 394.475 3.562 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000467719684 929336308 /nfs/dbraw/zinc/33/63/08/929336308.db2.gz DSJYOROQZFTJPW-KUHUBIRLSA-N 0 3 380.448 3.551 20 5 GHBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000546058872 929813267 /nfs/dbraw/zinc/81/32/67/929813267.db2.gz DSZJIBBHFROIAF-YLJYHZDGSA-N 0 3 390.411 3.810 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758336261 930013813 /nfs/dbraw/zinc/01/38/13/930013813.db2.gz TZQFRQJNDZHCRP-BEFAXECRSA-N 0 3 384.411 3.882 20 5 GHBDHN C[C@H](CN1CCCC1=O)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116012949 933282871 /nfs/dbraw/zinc/28/28/71/933282871.db2.gz KXQUUNGOQISOJZ-GFCCVEGCSA-N 0 3 377.828 3.609 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000828737260 935696870 /nfs/dbraw/zinc/69/68/70/935696870.db2.gz KORHGBFGPGXEIP-ACJLOTCBSA-N 0 3 375.856 3.978 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001626005107 1014737772 /nfs/dbraw/zinc/73/77/72/1014737772.db2.gz BQYBSOKDTRBVGU-MRXNPFEDSA-N 0 3 390.415 3.557 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000468636294 1015863584 /nfs/dbraw/zinc/86/35/84/1015863584.db2.gz ZBQMJPPBRRVCRW-RBNQXFGJSA-N 0 3 395.459 3.905 20 5 GHBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000545550528 1016024297 /nfs/dbraw/zinc/02/42/97/1016024297.db2.gz YIKRGLIQOBJPAR-SJLPKXTDSA-N 0 3 380.828 3.792 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000558335103 1017172424 /nfs/dbraw/zinc/17/24/24/1017172424.db2.gz LDIDQMBTNIVXPW-OAQYLSRUSA-N 0 3 396.491 3.616 20 5 GHBDHN COCOc1ccc(OC)cc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000778114974 1018604440 /nfs/dbraw/zinc/60/44/40/1018604440.db2.gz HXXVYTKQBFDYGY-UHFFFAOYSA-N 0 3 380.828 3.572 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)cc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001228257791 1032869219 /nfs/dbraw/zinc/86/92/19/1032869219.db2.gz MQRJRBFQYQJYKP-LJQANCHMSA-N 0 3 376.840 3.918 20 5 GHBDHN CN(C)c1noc([C@H]2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)n1 ZINC000194922253 1020968863 /nfs/dbraw/zinc/96/88/63/1020968863.db2.gz DUNWCVQNZHNUOM-AWEZNQCLSA-N 0 3 397.435 3.683 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC001203062023 1022385091 /nfs/dbraw/zinc/38/50/91/1022385091.db2.gz LKIBFIJUWLDYBR-SFHVURJKSA-N 0 3 377.391 3.877 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754099639 1022480921 /nfs/dbraw/zinc/48/09/21/1022480921.db2.gz WZUUHSQMQDSJTO-IBZMOEQTSA-N 0 3 397.450 3.980 20 5 GHBDHN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc2ccccc2s1 ZINC000754707383 1022846115 /nfs/dbraw/zinc/84/61/15/1022846115.db2.gz UUJKSEOTOPPLJF-GFCCVEGCSA-N 0 3 398.444 3.853 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 ZINC000754965166 1022989887 /nfs/dbraw/zinc/98/98/87/1022989887.db2.gz IJYMNIXCPSHCNP-UHFFFAOYSA-N 0 3 396.216 3.810 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000832025897 1025147764 /nfs/dbraw/zinc/14/77/64/1025147764.db2.gz PTNOTRRWUWOMHL-INIZCTEOSA-N 0 3 379.819 3.728 20 5 GHBDHN CCN1CCN(c2ccc(Nc3c4cc(F)ccc4ncc3[N+](=O)[O-])cc2)CC1 ZINC001161974794 1025517956 /nfs/dbraw/zinc/51/79/56/1025517956.db2.gz IBOGZSMVMSRJAX-UHFFFAOYSA-N 0 3 395.438 3.590 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(OC)c1 ZINC000839232827 1025746232 /nfs/dbraw/zinc/74/62/32/1025746232.db2.gz UAYAEGWLPZZNEJ-IBGZPJMESA-N 0 3 389.427 3.555 20 5 GHBDHN CN1CC[C@H](NCc2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000839593992 1026095038 /nfs/dbraw/zinc/09/50/38/1026095038.db2.gz OTBOCUZBDBJDFS-YJBOKZPZSA-N 0 3 390.281 3.892 20 5 GHBDHN CN(CCCN(C)c1ccc(Br)cc1[N+](=O)[O-])Cc1ccco1 ZINC001163250211 1026106829 /nfs/dbraw/zinc/10/68/29/1026106829.db2.gz ZJAUHVSZCPQTDF-UHFFFAOYSA-N 0 3 382.258 3.909 20 5 GHBDHN COCCN(C)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163386614 1026173258 /nfs/dbraw/zinc/17/32/58/1026173258.db2.gz YNXUVZNAWMKYEY-INIZCTEOSA-N 0 3 378.860 3.683 20 5 GHBDHN C[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H](C)CN1Cc1ccccc1 ZINC001165202064 1026663781 /nfs/dbraw/zinc/66/37/81/1026663781.db2.gz RRTGVXDFYPUHCU-CVEARBPZSA-N 0 3 377.448 3.637 20 5 GHBDHN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001461392107 1069530407 /nfs/dbraw/zinc/53/04/07/1069530407.db2.gz YVUBNRVBUWWOFP-QGZVFWFLSA-N 0 3 390.411 3.835 20 5 GHBDHN CCN(C)C(=O)[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(C)C ZINC001461514151 1069586372 /nfs/dbraw/zinc/58/63/72/1069586372.db2.gz QABGLNSMNFQCLI-NRFANRHFSA-N 0 3 398.507 3.955 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)c(-c2nc(-c3ccc4c(n3)CCNC4)no2)c(Cl)c1 ZINC001217031267 1030105952 /nfs/dbraw/zinc/10/59/52/1030105952.db2.gz RRFWKRWDUDKLLF-UHFFFAOYSA-N 0 3 392.202 3.659 20 5 GHBDHN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNCc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)O2 ZINC001461766387 1069733401 /nfs/dbraw/zinc/73/34/01/1069733401.db2.gz LUXUHAMTFRUBHT-OITFXXTJSA-N 0 3 386.448 3.917 20 5 GHBDHN CNc1ccc(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001153718602 1031719561 /nfs/dbraw/zinc/71/95/61/1031719561.db2.gz ATWJGAHKGIZIMY-IBGZPJMESA-N 0 3 396.491 3.763 20 5 GHBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C[C@H]1N2C ZINC001225972997 1031724548 /nfs/dbraw/zinc/72/45/48/1031724548.db2.gz NVMPWFVTKQWNJV-UVUJQTEASA-N 0 3 396.443 3.807 20 5 GHBDHN COc1cc(CN[C@@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461815233 1069765471 /nfs/dbraw/zinc/76/54/71/1069765471.db2.gz UZFMLGFXZMGOOC-RTBURBONSA-N 0 3 398.459 3.697 20 5 GHBDHN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001229233000 1033356959 /nfs/dbraw/zinc/35/69/59/1033356959.db2.gz PMVFZHLUUWHTDV-CLLJXQQHSA-N 0 3 383.242 3.564 20 5 GHBDHN Cc1ccc(-c2nc3sccc3c(-n3ccc([C@H](C)N)n3)n2)cc1[N+](=O)[O-] ZINC001158355182 1034040469 /nfs/dbraw/zinc/04/04/69/1034040469.db2.gz GZJLKYJXJCLCKG-NSHDSACASA-N 0 3 380.433 3.780 20 5 GHBDHN NCc1cc(-c2ccncc2)nn1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001160345137 1034946484 /nfs/dbraw/zinc/94/64/84/1034946484.db2.gz WJXRUDHRYFAECC-UHFFFAOYSA-N 0 3 390.378 3.502 20 5 GHBDHN C[C@H]1C[C@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001461984813 1069929780 /nfs/dbraw/zinc/92/97/80/1069929780.db2.gz XFIBGMREGIHMJJ-JKSUJKDBSA-N 0 3 389.496 3.989 20 5 GHBDHN C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001248662894 1036037821 /nfs/dbraw/zinc/03/78/21/1036037821.db2.gz VRPHIQNIBVQGHN-ROUUACIJSA-N 0 3 396.491 3.962 20 5 GHBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1c1ccccc1 ZINC001254479451 1040266387 /nfs/dbraw/zinc/26/63/87/1040266387.db2.gz ZVBCUADREFMIBN-JOCHJYFZSA-N 0 3 380.492 3.552 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2ccccc2F)CC1 ZINC001254569765 1040346615 /nfs/dbraw/zinc/34/66/15/1040346615.db2.gz KTRPVCGAXCJTSR-HNNXBMFYSA-N 0 3 385.439 3.559 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1COc3ccc(Br)cc31)C2 ZINC001254579826 1040354907 /nfs/dbraw/zinc/35/49/07/1040354907.db2.gz VPRRQPASZQFYPX-XJKSGUPXSA-N 0 3 375.222 3.548 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@H]4CN5CCC4CC5)no3)cs2)c1 ZINC001254850054 1040595290 /nfs/dbraw/zinc/59/52/90/1040595290.db2.gz ICIXUYDEJCQNRP-AWEZNQCLSA-N 0 3 383.433 3.578 20 5 GHBDHN COc1cc(N2CCC(n3c4ccccc4nc3[C@H](C)N)CC2)ccc1[N+](=O)[O-] ZINC001256083584 1041514048 /nfs/dbraw/zinc/51/40/48/1041514048.db2.gz TXYUDARWTUFFMV-AWEZNQCLSA-N 0 3 395.463 3.814 20 5 GHBDHN COc1cc(N2CCC(N[C@H](C)c3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC001256085446 1041516583 /nfs/dbraw/zinc/51/65/83/1041516583.db2.gz PEYGALBKBOZDPL-CYBMUJFWSA-N 0 3 376.482 3.688 20 5 GHBDHN C[C@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000566321025 1046033579 /nfs/dbraw/zinc/03/35/79/1046033579.db2.gz BWCNEFNCEDPIPX-KKSFZXQISA-N 0 3 382.464 3.620 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC001308420668 1049972173 /nfs/dbraw/zinc/97/21/73/1049972173.db2.gz JEGLLNJTMUCFOJ-UHFFFAOYSA-N 0 3 396.896 3.819 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](CO)CC2CCOCC2)c2ccccc2)c1 ZINC001320865218 1055991990 /nfs/dbraw/zinc/99/19/90/1055991990.db2.gz YPHFVGUVEWYNSZ-XMSQKQJNSA-N 0 3 384.476 3.699 20 5 GHBDHN C[C@@H](COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1 ZINC000847959810 1056279294 /nfs/dbraw/zinc/27/92/94/1056279294.db2.gz KVABLBWOUXODKD-ZDUSSCGKSA-N 0 3 375.450 3.750 20 5 GHBDHN COc1ccccc1C1(NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCC1 ZINC001323439207 1056970095 /nfs/dbraw/zinc/97/00/95/1056970095.db2.gz WFESKWXTTGKCIG-UHFFFAOYSA-N 0 3 383.448 3.909 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC001355330452 1057122212 /nfs/dbraw/zinc/12/22/12/1057122212.db2.gz BJJZCHNLEIEJOL-UHFFFAOYSA-N 0 3 381.885 3.822 20 5 GHBDHN CCCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001325509594 1057336671 /nfs/dbraw/zinc/33/66/71/1057336671.db2.gz CSJCTLNOGAHRPR-XWIAVFTESA-N 0 3 395.887 3.712 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001339983692 1059594597 /nfs/dbraw/zinc/59/45/97/1059594597.db2.gz OZBNNGMQGFTNOO-UHFFFAOYSA-N 0 3 377.828 3.578 20 5 GHBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001341816141 1060907259 /nfs/dbraw/zinc/90/72/59/1060907259.db2.gz RYZRFNQJIIWSJV-ZFWWWQNUSA-N 0 3 377.828 3.513 20 5 GHBDHN CN1CCC(N(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC001350677196 1064162250 /nfs/dbraw/zinc/16/22/50/1064162250.db2.gz GTHQFMSVBTUWLZ-NHCUHLMSSA-N 0 3 379.460 3.826 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC001460060536 1064385728 /nfs/dbraw/zinc/38/57/28/1064385728.db2.gz CPZUUDFXGVWJOW-IAGOWNOFSA-N 0 3 375.469 3.559 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001465660783 1065775467 /nfs/dbraw/zinc/77/54/67/1065775467.db2.gz QEKLDRHIBBEUSJ-UHFFFAOYSA-N 0 3 378.432 3.953 20 5 GHBDHN C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001467693035 1067424657 /nfs/dbraw/zinc/42/46/57/1067424657.db2.gz VBANDQAJZHSATJ-OXQOHEQNSA-N 0 3 382.464 3.792 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(F)c1 ZINC001468970600 1067941077 /nfs/dbraw/zinc/94/10/77/1067941077.db2.gz QSIAOELYLRDHLJ-UHFFFAOYSA-N 0 3 383.326 3.649 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001360681716 1068598775 /nfs/dbraw/zinc/59/87/75/1068598775.db2.gz JSLFWSBSFAURQT-KRWDZBQOSA-N 0 3 385.489 3.711 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC001471687318 1073179550 /nfs/dbraw/zinc/17/95/50/1073179550.db2.gz RHBVSNRUQGKTKC-DLBZAZTESA-N 0 3 377.510 3.796 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC001471687319 1073180032 /nfs/dbraw/zinc/18/00/32/1073180032.db2.gz RHBVSNRUQGKTKC-IAGOWNOFSA-N 0 3 377.510 3.796 20 5 GHBDHN C[C@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCN1C1CCCC1 ZINC001471823911 1073227383 /nfs/dbraw/zinc/22/73/83/1073227383.db2.gz APVJNGOEEKLMKC-AWEZNQCLSA-N 0 3 379.888 3.656 20 5 GHBDHN CCC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001473304676 1073913309 /nfs/dbraw/zinc/91/33/09/1073913309.db2.gz DFDLQFRGSVYCSK-NRFANRHFSA-N 0 3 383.492 3.960 20 5 GHBDHN Cc1ccc(NC(=O)[C@@H](N[C@@H](C(C)C)C(C)(C)O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001473456509 1073973770 /nfs/dbraw/zinc/97/37/70/1073973770.db2.gz DJYVDEULWSQJRJ-PMACEKPBSA-N 0 3 399.491 3.968 20 5 GHBDHN C[C@@]1(c2cccc(F)c2)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001473615539 1074049718 /nfs/dbraw/zinc/04/97/18/1074049718.db2.gz DLQOFDYSAGQNPR-HXUWFJFHSA-N 0 3 389.402 3.865 20 5 GHBDHN Cc1cccc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC001473702750 1074097432 /nfs/dbraw/zinc/09/74/32/1074097432.db2.gz OSCCVQZCKHYXGB-LJQANCHMSA-N 0 3 376.478 3.664 20 5 GHBDHN O=[N+]([O-])c1sc(CNC[C@@H]2CCN2C2CCCCC2)cc1Br ZINC001474630765 1074490883 /nfs/dbraw/zinc/49/08/83/1074490883.db2.gz SVHDPXIHFXXEHD-LBPRGKRZSA-N 0 3 388.331 3.915 20 5 GHBDHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001660390171 1126264812 /nfs/dbraw/zinc/26/48/12/1126264812.db2.gz YYLRFRJCIHLRLX-KRWDZBQOSA-N 0 3 397.244 3.580 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825125495 608493215 /nfs/dbraw/zinc/49/32/15/608493215.db2.gz CNWHPXOFKSJABK-CJNGLKHVSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825125495 608493216 /nfs/dbraw/zinc/49/32/16/608493216.db2.gz CNWHPXOFKSJABK-CJNGLKHVSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825127523 608493367 /nfs/dbraw/zinc/49/33/67/608493367.db2.gz NFANBYAHDRYGBB-XJKSGUPXSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825127523 608493369 /nfs/dbraw/zinc/49/33/69/608493369.db2.gz NFANBYAHDRYGBB-XJKSGUPXSA-N 0 3 398.492 3.996 20 5 GHBDHN CC[C@H](C)NC(=O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000120912609 837440548 /nfs/dbraw/zinc/44/05/48/837440548.db2.gz KIXFCWADKISOQJ-AWEZNQCLSA-N 0 3 389.427 3.921 20 5 GHBDHN Cn1c(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc2cc(Cl)ccc21 ZINC000581231206 837486003 /nfs/dbraw/zinc/48/60/03/837486003.db2.gz YTYMTGFZCNNNJC-CJNGLKHVSA-N 0 3 388.859 3.605 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1ccsc1 ZINC000431554581 834871393 /nfs/dbraw/zinc/87/13/93/834871393.db2.gz CWMYTAREINDHTH-GOSISDBHSA-N 0 3 391.493 3.543 20 5 GHBDHN O=[N+]([O-])c1c[nH]c(-c2csc(NC3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000512937324 844017165 /nfs/dbraw/zinc/01/71/65/844017165.db2.gz LRVRQTOBPNSAIH-UHFFFAOYSA-N 0 3 383.477 3.545 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000151465504 835449421 /nfs/dbraw/zinc/44/94/21/835449421.db2.gz KGGZHWJMOMHWEX-UHFFFAOYSA-N 0 3 396.491 3.616 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000411808972 836360067 /nfs/dbraw/zinc/36/00/67/836360067.db2.gz SVRQBTCWVPDGSI-NEPJUHHUSA-N 0 3 389.374 3.595 20 5 GHBDHN CSc1ccccc1OC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000411982141 836473655 /nfs/dbraw/zinc/47/36/55/836473655.db2.gz JLPDOGMCGMKLOT-SFHVURJKSA-N 0 3 390.505 3.967 20 5 GHBDHN CN(CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1)C(=O)OC(C)(C)C ZINC000728930219 844200464 /nfs/dbraw/zinc/20/04/64/844200464.db2.gz KFKAWOGXGGICIW-UHFFFAOYSA-N 0 3 393.484 3.553 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](NCCc2nnc3n2CCCCC3)c2ccccc2)c1 ZINC000180052411 836913357 /nfs/dbraw/zinc/91/33/57/836913357.db2.gz LXFHWLMBPWFRSC-QFIPXVFZSA-N 0 3 391.475 3.834 20 5 GHBDHN CCOc1ccc([C@H](C)NCCOc2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000180448622 837266613 /nfs/dbraw/zinc/26/66/13/837266613.db2.gz VSSMUGZPPXZSCH-AWEZNQCLSA-N 0 3 387.436 3.682 20 5 GHBDHN CNC(=O)c1cccc(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180602656 837377309 /nfs/dbraw/zinc/37/73/09/837377309.db2.gz WDOWQWAROXBLQX-QFIPXVFZSA-N 0 3 389.455 3.876 20 5 GHBDHN COc1cccc([C@H]2[C@@H](NCc3ccc([N+](=O)[O-])cc3OC)CCN2C2CC2)c1 ZINC000549117096 838665679 /nfs/dbraw/zinc/66/56/79/838665679.db2.gz KAEQGKFQHGOAHI-UNMCSNQZSA-N 0 3 397.475 3.680 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104706308 838900213 /nfs/dbraw/zinc/90/02/13/838900213.db2.gz VCFRIKSRLYDYFE-HXUWFJFHSA-N 0 3 387.411 3.812 20 5 GHBDHN CSc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])N(C)C)cc1 ZINC000549286478 839821091 /nfs/dbraw/zinc/82/10/91/839821091.db2.gz YCYPPRBHKIWLGM-ZDUSSCGKSA-N 0 3 377.495 3.741 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c1 ZINC000549295080 839875906 /nfs/dbraw/zinc/87/59/06/839875906.db2.gz SMDZLQOOCQZCMJ-JOCHJYFZSA-N 0 3 397.475 3.778 20 5 GHBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000408099030 840216076 /nfs/dbraw/zinc/21/60/76/840216076.db2.gz JAONNWXRYCOJOC-UPJWGTAASA-N 0 3 383.290 3.594 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000473091791 841413696 /nfs/dbraw/zinc/41/36/96/841413696.db2.gz WZIDAMRXBQKPKW-NRFANRHFSA-N 0 3 396.491 3.609 20 5 GHBDHN CCOc1cc(CN2CCC2(C)C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000093460482 842153362 /nfs/dbraw/zinc/15/33/62/842153362.db2.gz RVOFEJRYIVVJBI-UHFFFAOYSA-N 0 3 388.468 3.562 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccsc1 ZINC000512055819 842351887 /nfs/dbraw/zinc/35/18/87/842351887.db2.gz GLMYVPAMTMYEPN-KRWDZBQOSA-N 0 3 386.477 3.951 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CN1C1CC1 ZINC000490194474 861310360 /nfs/dbraw/zinc/31/03/60/861310360.db2.gz WECNNXBVNLOTJA-NVXWUHKLSA-N 0 3 394.475 3.562 20 5 GHBDHN C[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC001126212940 842933337 /nfs/dbraw/zinc/93/33/37/842933337.db2.gz YLSRELUUORUJBR-OAHLLOKOSA-N 0 3 389.883 3.818 20 5 GHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)COCc1ccccc1 ZINC000511979446 843513938 /nfs/dbraw/zinc/51/39/38/843513938.db2.gz WKMTVURCJZECMX-HXUWFJFHSA-N 0 3 396.443 3.864 20 5 GHBDHN CN(C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000568935770 843703924 /nfs/dbraw/zinc/70/39/24/843703924.db2.gz LXUSISZFRVLPBT-UHFFFAOYSA-N 0 3 378.226 3.671 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429894286 843847389 /nfs/dbraw/zinc/84/73/89/843847389.db2.gz CGISYONWADVJPH-AEFFLSMTSA-N 0 3 381.476 3.824 20 5 GHBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)cs1 ZINC000052847950 844845622 /nfs/dbraw/zinc/84/56/22/844845622.db2.gz BYCQINUTYINNRE-UHFFFAOYSA-N 0 3 398.282 3.879 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000513392805 845347585 /nfs/dbraw/zinc/34/75/85/845347585.db2.gz YCMDTAACORIOFV-AEFFLSMTSA-N 0 3 390.867 3.695 20 5 GHBDHN COc1cc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)ccc1[N+](=O)[O-] ZINC000502543774 846182563 /nfs/dbraw/zinc/18/25/63/846182563.db2.gz DBGXHILFOARSIS-IBGZPJMESA-N 0 3 376.840 3.748 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H](C)[C@H]2CCCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000502664635 846326002 /nfs/dbraw/zinc/32/60/02/846326002.db2.gz QUTVTPGXDNUIDO-PLMTUMEDSA-N 0 3 397.475 3.988 20 5 GHBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511087799 846548520 /nfs/dbraw/zinc/54/85/20/846548520.db2.gz BOPTWBOKSJNGML-OAHLLOKOSA-N 0 3 395.381 3.655 20 5 GHBDHN CC(C)Oc1cc(C(=O)N(CCN(C)C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000413432289 847411937 /nfs/dbraw/zinc/41/19/37/847411937.db2.gz WESOERBPFRYZIL-UHFFFAOYSA-N 0 3 377.485 3.719 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420944711 847565627 /nfs/dbraw/zinc/56/56/27/847565627.db2.gz JUJVWNYHCVPIBS-LBPRGKRZSA-N 0 3 387.358 3.557 20 5 GHBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056889203 861826500 /nfs/dbraw/zinc/82/65/00/861826500.db2.gz HFGCFYOTVONZPG-HNNXBMFYSA-N 0 3 388.443 3.568 20 5 GHBDHN CN(C)CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000050629543 847943188 /nfs/dbraw/zinc/94/31/88/847943188.db2.gz HIWBNHDAMAORIU-UHFFFAOYSA-N 0 3 396.472 3.927 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604127063 861857359 /nfs/dbraw/zinc/85/73/59/861857359.db2.gz HISHNACAKGJMLG-GOSISDBHSA-N 0 3 396.491 3.882 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600470089 862036604 /nfs/dbraw/zinc/03/66/04/862036604.db2.gz FMWKZVAHKCYHRQ-INIZCTEOSA-N 0 3 377.510 3.842 20 5 GHBDHN CC(C)N1CCN(c2cccc(Nc3ncnc4sc([N+](=O)[O-])cc43)c2)CC1 ZINC000583313760 849609415 /nfs/dbraw/zinc/60/94/15/849609415.db2.gz HZCCCFKTLQARPI-UHFFFAOYSA-N 0 3 398.492 3.874 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C)cc1 ZINC000514353161 849748540 /nfs/dbraw/zinc/74/85/40/849748540.db2.gz MQWWRFBETBZGNA-HXUWFJFHSA-N 0 3 380.448 3.671 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000505589920 849998635 /nfs/dbraw/zinc/99/86/35/849998635.db2.gz CLCIKNQHYUFVMO-BLIXFSHQSA-N 0 3 383.492 3.971 20 5 GHBDHN C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000505615110 850129758 /nfs/dbraw/zinc/12/97/58/850129758.db2.gz UYTISMKWVVKFBW-HRAATJIYSA-N 0 3 384.480 3.595 20 5 GHBDHN C[C@@H]1CN(CCC2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000487085179 850437952 /nfs/dbraw/zinc/43/79/52/850437952.db2.gz HPNZNWRVDXPBEQ-CALCHBBNSA-N 0 3 398.507 3.859 20 5 GHBDHN CS[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000487126932 850490590 /nfs/dbraw/zinc/49/05/90/850490590.db2.gz ZJFMXAKRMCLKHP-ZWKOTPCHSA-N 0 3 391.537 3.544 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2ccccc2OC(C)(C)C1 ZINC000515409271 850990136 /nfs/dbraw/zinc/99/01/36/850990136.db2.gz MMUPKEHAWJZGAF-UHFFFAOYSA-N 0 3 399.447 3.605 20 5 GHBDHN C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H](C)C1 ZINC000436101681 851200103 /nfs/dbraw/zinc/20/01/03/851200103.db2.gz QMXOKPFRDFQPCT-CVEARBPZSA-N 0 3 377.488 3.532 20 5 GHBDHN COc1cc(CN2CC[C@H](O)C[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000430120950 851582069 /nfs/dbraw/zinc/58/20/69/851582069.db2.gz KXOKRSNNKXBDEV-KXBFYZLASA-N 0 3 386.448 3.528 20 5 GHBDHN CC(C)(C)OC(=O)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488724147 851714566 /nfs/dbraw/zinc/71/45/66/851714566.db2.gz RVVMJKZRCSAVGW-UHFFFAOYSA-N 0 3 386.452 3.584 20 5 GHBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000517560149 852097988 /nfs/dbraw/zinc/09/79/88/852097988.db2.gz SGVXPRBTWNDKMB-UHFFFAOYSA-N 0 3 385.439 3.515 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489330144 852236373 /nfs/dbraw/zinc/23/63/73/852236373.db2.gz MZDNDGPDJOOLBU-XLIONFOSSA-N 0 3 396.491 3.928 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000481833096 862361292 /nfs/dbraw/zinc/36/12/92/862361292.db2.gz ARAFUUHVAQKJRP-GOSISDBHSA-N 0 3 390.867 3.868 20 5 GHBDHN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000489742677 852565231 /nfs/dbraw/zinc/56/52/31/852565231.db2.gz NQPMLPDUCXVUNK-ZDUSSCGKSA-N 0 3 398.385 3.606 20 5 GHBDHN CN(C)C1(CN(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCC1 ZINC000438614702 852630425 /nfs/dbraw/zinc/63/04/25/852630425.db2.gz WHZUUOPJXSFOHM-UHFFFAOYSA-N 0 3 399.441 3.516 20 5 GHBDHN CN1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000489931082 852652499 /nfs/dbraw/zinc/65/24/99/852652499.db2.gz PMTSYQQZMRRTAU-IEBWSBKVSA-N 0 3 382.464 3.575 20 5 GHBDHN CN1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000489931080 852652578 /nfs/dbraw/zinc/65/25/78/852652578.db2.gz PMTSYQQZMRRTAU-HKUYNNGSSA-N 0 3 382.464 3.575 20 5 GHBDHN Cc1cc2ncn(C[C@@H](O)CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2cc1C ZINC000490014562 852724904 /nfs/dbraw/zinc/72/49/04/852724904.db2.gz QRFDFNRZLJEGIK-FQEVSTJZSA-N 0 3 394.475 3.587 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H]3COc4ccccc4C3)o2)c([N+](=O)[O-])c1 ZINC000518290075 853168709 /nfs/dbraw/zinc/16/87/09/853168709.db2.gz JAGQOFWYCWKBLT-HNNXBMFYSA-N 0 3 380.400 3.957 20 5 GHBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000517009350 853250481 /nfs/dbraw/zinc/25/04/81/853250481.db2.gz OTJMVMWWYBQNOO-HZPDHXFCSA-N 0 3 377.488 3.532 20 5 GHBDHN COc1cc(CN(C)[C@@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517203658 853513015 /nfs/dbraw/zinc/51/30/15/853513015.db2.gz ZYBPBPPQVRVUEP-LJQANCHMSA-N 0 3 386.448 3.793 20 5 GHBDHN CNc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000519936950 853647395 /nfs/dbraw/zinc/64/73/95/853647395.db2.gz CJBBSNWADHTXTO-FQEVSTJZSA-N 0 3 382.464 3.512 20 5 GHBDHN C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458883515 854411547 /nfs/dbraw/zinc/41/15/47/854411547.db2.gz BRKSNQZLHSHEDR-OXJNMPFZSA-N 0 3 382.464 3.572 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CO)c3ccc(Cl)cc3)o2)c1 ZINC000572393857 854476890 /nfs/dbraw/zinc/47/68/90/854476890.db2.gz APBDBFSBKFSLLL-KRWDZBQOSA-N 0 3 387.823 3.769 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000056168475 854497488 /nfs/dbraw/zinc/49/74/88/854497488.db2.gz XLBLBZFDEVORQJ-HOCLYGCPSA-N 0 3 378.432 3.641 20 5 GHBDHN CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000589494193 854907198 /nfs/dbraw/zinc/90/71/98/854907198.db2.gz IXQVYJGSJFVJQM-HNNXBMFYSA-N 0 3 386.448 3.843 20 5 GHBDHN COc1cc2c(c(OC)c1OC)CCN(Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000542702710 855503505 /nfs/dbraw/zinc/50/35/05/855503505.db2.gz QOBNXFSDEGURFE-UHFFFAOYSA-N 0 3 386.448 3.530 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733107408 862722982 /nfs/dbraw/zinc/72/29/82/862722982.db2.gz PALKLSZKKOLUPG-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN C[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)N(C)Cc1ccccc1 ZINC000520660213 855952313 /nfs/dbraw/zinc/95/23/13/855952313.db2.gz JUOGKVZFDNLDEH-ZDUSSCGKSA-N 0 3 395.381 3.864 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H](c1ccccc1)N(C)C ZINC000508900135 856196189 /nfs/dbraw/zinc/19/61/89/856196189.db2.gz XCWIFEJNIVDJLY-IIBYNOLFSA-N 0 3 396.491 3.960 20 5 GHBDHN C[C@@H]1CN(CCCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C[C@H](C)O1 ZINC000573570879 856324435 /nfs/dbraw/zinc/32/44/35/856324435.db2.gz NGOMDCCXMHGIGN-VBQJREDUSA-N 0 3 389.418 3.677 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000462922287 856614022 /nfs/dbraw/zinc/61/40/22/856614022.db2.gz BOYHVGRGYUENOR-RXVVDRJESA-N 0 3 383.492 3.891 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592189245 856792802 /nfs/dbraw/zinc/79/28/02/856792802.db2.gz YYASNRGIYNQGDF-RXVVDRJESA-N 0 3 380.444 3.728 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592695313 857027871 /nfs/dbraw/zinc/02/78/71/857027871.db2.gz YQSROXHZDTYHPC-LJQANCHMSA-N 0 3 397.475 3.729 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000542958716 857168409 /nfs/dbraw/zinc/16/84/09/857168409.db2.gz IABJXHRGOUVYAI-MRXNPFEDSA-N 0 3 392.481 3.870 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173969068 857188006 /nfs/dbraw/zinc/18/80/06/857188006.db2.gz AXMOHDBJHCRNSQ-DZGCQCFKSA-N 0 3 387.402 3.779 20 5 GHBDHN Cc1ccc(Br)cc1NC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000113353731 857442663 /nfs/dbraw/zinc/44/26/63/857442663.db2.gz QSSFMMSZUPRLCW-UHFFFAOYSA-N 0 3 392.253 3.784 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000594503222 858195281 /nfs/dbraw/zinc/19/52/81/858195281.db2.gz HWUJXDMZCNFVES-DYVFJYSZSA-N 0 3 396.365 3.630 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3C[C@@H](N4CCOCC4)C34CCC4)o2)cc1 ZINC000594989055 858360037 /nfs/dbraw/zinc/36/00/37/858360037.db2.gz FOFDIXIOJFKTGX-NHCUHLMSSA-N 0 3 397.475 3.588 20 5 GHBDHN O=C(NC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000059402960 858361834 /nfs/dbraw/zinc/36/18/34/858361834.db2.gz IHPBVQCMIPKFME-HXUWFJFHSA-N 0 3 382.464 3.814 20 5 GHBDHN O=C(CCNC1(c2ccc(Cl)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129860914 858655068 /nfs/dbraw/zinc/65/50/68/858655068.db2.gz CBABUBWRGAJZEJ-UHFFFAOYSA-N 0 3 377.803 3.995 20 5 GHBDHN CCC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000543183938 858764862 /nfs/dbraw/zinc/76/48/62/858764862.db2.gz SKXMYKHFIKULTI-RHSMWYFYSA-N 0 3 380.391 3.744 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)ccn1 ZINC000856536500 881350521 /nfs/dbraw/zinc/35/05/21/881350521.db2.gz WAASNCSCKXBIQU-GOSISDBHSA-N 0 3 388.443 3.627 20 5 GHBDHN O=[N+]([O-])c1cccc2c(NCC3CCN(Cc4ccncc4)CC3)ccnc21 ZINC000596435613 858896840 /nfs/dbraw/zinc/89/68/40/858896840.db2.gz CZOZWIBJUQTVSW-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN CCOc1cc(N2CCN([C@@H](CCOC)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000482895454 858958167 /nfs/dbraw/zinc/95/81/67/858958167.db2.gz FAWCHZSYORNCPX-FQEVSTJZSA-N 0 3 399.491 3.893 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(CC)CC ZINC000429348680 859109613 /nfs/dbraw/zinc/10/96/13/859109613.db2.gz KSTMCIOGUQPOBP-JEBQAFNWSA-N 0 3 393.484 3.504 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000543632285 859120334 /nfs/dbraw/zinc/12/03/34/859120334.db2.gz RNFBKTDPVPQNDR-HNNXBMFYSA-N 0 3 388.855 3.802 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c(F)c1 ZINC000428572844 859405950 /nfs/dbraw/zinc/40/59/50/859405950.db2.gz NRPAYVOWTLMROA-VQTJNVASSA-N 0 3 376.403 3.737 20 5 GHBDHN COCC[C@H](CO)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000466477716 859679443 /nfs/dbraw/zinc/67/94/43/859679443.db2.gz QKMDQCVWROQPTR-MRXNPFEDSA-N 0 3 376.478 3.541 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000466518023 859818698 /nfs/dbraw/zinc/81/86/98/859818698.db2.gz XZBNPJYVXQIMSV-ABSDTBQOSA-N 0 3 396.491 3.926 20 5 GHBDHN COc1ccccc1CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000053238688 860442614 /nfs/dbraw/zinc/44/26/14/860442614.db2.gz AGCZQSPTWIAJGV-UHFFFAOYSA-N 0 3 399.447 3.605 20 5 GHBDHN Cc1c(CC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000125007642 860554157 /nfs/dbraw/zinc/55/41/57/860554157.db2.gz ASUITCILZTXOSD-QGZVFWFLSA-N 0 3 381.476 3.569 20 5 GHBDHN Cn1cc(CN2CCC3(CC2)C(F)(F)C3(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593659108 860718252 /nfs/dbraw/zinc/71/82/52/860718252.db2.gz ZYDZTJQTOHHOKT-UHFFFAOYSA-N 0 3 398.360 3.862 20 5 GHBDHN CC[C@H](N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000532234535 881588132 /nfs/dbraw/zinc/58/81/32/881588132.db2.gz XCRLQDJZQBTZLV-HSQYWUDLSA-N 0 3 383.492 3.925 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000603589934 860876514 /nfs/dbraw/zinc/87/65/14/860876514.db2.gz QIVUJMPWVNARQW-ZDUSSCGKSA-N 0 3 389.477 3.784 20 5 GHBDHN O=C(NC[C@H]1CCN1C1CCCC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599204150 860917778 /nfs/dbraw/zinc/91/77/78/860917778.db2.gz SSJJVSAGPYJXTM-YLJYHZDGSA-N 0 3 386.496 3.501 20 5 GHBDHN CCCN(CCN(CC)CC)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444317413 864018144 /nfs/dbraw/zinc/01/81/44/864018144.db2.gz OEEALYUKZOTIKK-UHFFFAOYSA-N 0 3 379.504 3.875 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000025859790 864575189 /nfs/dbraw/zinc/57/51/89/864575189.db2.gz KAFMWPRJCLYSJX-FQEVSTJZSA-N 0 3 385.464 3.725 20 5 GHBDHN COC(=O)c1csc(-c2cccc(CNCc3cccc([N+](=O)[O-])c3)c2)n1 ZINC000480467369 864683977 /nfs/dbraw/zinc/68/39/77/864683977.db2.gz MBQAFWIGMNAEIH-UHFFFAOYSA-N 0 3 383.429 3.795 20 5 GHBDHN C[C@H](O)[C@@](C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000480478985 864703459 /nfs/dbraw/zinc/70/34/59/864703459.db2.gz SRPBOBWEIFHRAA-VBKZILBWSA-N 0 3 394.418 3.916 20 5 GHBDHN C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184915208 865043235 /nfs/dbraw/zinc/04/32/35/865043235.db2.gz YCHWPAFWDPXDCZ-MGPUTAFESA-N 0 3 385.439 3.791 20 5 GHBDHN O=[N+]([O-])c1cc(CN[C@H](CN2CCCCC2)c2ccccc2)c2c(c1)COCO2 ZINC000609041964 865916071 /nfs/dbraw/zinc/91/60/71/865916071.db2.gz IGPQXKQIIVBXRI-OAQYLSRUSA-N 0 3 397.475 3.778 20 5 GHBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H](CN1CCCCC1)c1ccccc1 ZINC000609018131 865924718 /nfs/dbraw/zinc/92/47/18/865924718.db2.gz QKMGLQWCBUEWDB-LJQANCHMSA-N 0 3 397.475 3.707 20 5 GHBDHN Cc1c(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478793744 866643843 /nfs/dbraw/zinc/64/38/43/866643843.db2.gz JFAPDHCJICVFEH-APWZRJJASA-N 0 3 382.464 3.538 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N(C)[C@@H]3CCCN(C)C3)c([N+](=O)[O-])c2)cc1 ZINC000479480970 867847254 /nfs/dbraw/zinc/84/72/54/867847254.db2.gz FXCRRKQMUZGURJ-GOSISDBHSA-N 0 3 382.464 3.686 20 5 GHBDHN COc1ccc(CN(C)CCSC)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000539824559 869831025 /nfs/dbraw/zinc/83/10/25/869831025.db2.gz HOUAMHGMYLDTPX-UHFFFAOYSA-N 0 3 376.478 3.977 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(c4ccc(F)cc4F)CC3)nc2c1 ZINC000446846171 870582993 /nfs/dbraw/zinc/58/29/93/870582993.db2.gz WGDIUQXOOMFEPR-UHFFFAOYSA-N 0 3 387.390 3.508 20 5 GHBDHN COC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000540168506 870652286 /nfs/dbraw/zinc/65/22/86/870652286.db2.gz KTJPFQIZOHLHMG-QGZVFWFLSA-N 0 3 384.354 3.970 20 5 GHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000525656667 871157218 /nfs/dbraw/zinc/15/72/18/871157218.db2.gz QRWRKPVRXGOTNG-NRFANRHFSA-N 0 3 395.503 3.727 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000069617758 871221773 /nfs/dbraw/zinc/22/17/73/871221773.db2.gz ZLUAKYMCLTYAFH-SFHVURJKSA-N 0 3 375.856 3.843 20 5 GHBDHN CCOc1cc(N2CCN(CCc3ccccc3CC)CC2)ccc1[N+](=O)[O-] ZINC001193996559 871453539 /nfs/dbraw/zinc/45/35/39/871453539.db2.gz BWIDPFMBKVZWBA-UHFFFAOYSA-N 0 3 383.492 3.921 20 5 GHBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2)c1 ZINC000181877226 871577040 /nfs/dbraw/zinc/57/70/40/871577040.db2.gz BXIOLSXOKIYKLN-INIZCTEOSA-N 0 3 382.464 3.509 20 5 GHBDHN CC(C)(C)NC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000540602198 871676522 /nfs/dbraw/zinc/67/65/22/871676522.db2.gz WGMSWRAFFLOGOD-UHFFFAOYSA-N 0 3 379.844 3.903 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000463427905 871718361 /nfs/dbraw/zinc/71/83/61/871718361.db2.gz IJVWAORYZFBRQU-OAHLLOKOSA-N 0 3 395.381 3.516 20 5 GHBDHN CCOc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CCO2 ZINC000618578634 871730811 /nfs/dbraw/zinc/73/08/11/871730811.db2.gz POWSQTHHRNOYTP-KZNAEPCWSA-N 0 3 386.452 3.787 20 5 GHBDHN O=C(N[C@@H]1CCN(C2CCCCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000618665133 871813349 /nfs/dbraw/zinc/81/33/49/871813349.db2.gz GVIOPZRQQNZXGE-QGZVFWFLSA-N 0 3 389.499 3.818 20 5 GHBDHN CC(C)N1CCN(c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000767382246 872482336 /nfs/dbraw/zinc/48/23/36/872482336.db2.gz BHHLYSIYGKFQBW-DHZHZOJOSA-N 0 3 394.475 3.777 20 5 GHBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@](C)(O)CO)cc2[N+](=O)[O-])c1 ZINC000619464298 872658955 /nfs/dbraw/zinc/65/89/55/872658955.db2.gz OLTJGYOCUMQNIN-NRFANRHFSA-N 0 3 388.464 3.652 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767711983 872777046 /nfs/dbraw/zinc/77/70/46/872777046.db2.gz MVZVGZZDZOYJJI-LLVKDONJSA-N 0 3 388.773 3.606 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000463951615 872941388 /nfs/dbraw/zinc/94/13/88/872941388.db2.gz PBEZFMBDDSGMQT-LPHOPBHVSA-N 0 3 382.464 3.854 20 5 GHBDHN COc1ccc(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541105555 872944598 /nfs/dbraw/zinc/94/45/98/872944598.db2.gz BDNJMGTUGUQDHX-YOEHRIQHSA-N 0 3 384.436 3.560 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000463955335 872946708 /nfs/dbraw/zinc/94/67/08/872946708.db2.gz RBAPXAMYKSDZCN-UHFFFAOYSA-N 0 3 392.525 3.695 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000031988330 882705424 /nfs/dbraw/zinc/70/54/24/882705424.db2.gz NSGWRYTWCSSSLK-KRWDZBQOSA-N 0 3 376.482 3.511 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN[C@H](Cc2cccnc2)C2CCCC2)o1 ZINC001197194498 873644353 /nfs/dbraw/zinc/64/43/53/873644353.db2.gz NVMKVGIURMJFFH-GOSISDBHSA-N 0 3 393.447 3.931 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000769227326 873904770 /nfs/dbraw/zinc/90/47/70/873904770.db2.gz AIRNWXSGFJQVQW-FQEVSTJZSA-N 0 3 376.403 3.861 20 5 GHBDHN C[C@H]1COCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000769457816 874083931 /nfs/dbraw/zinc/08/39/31/874083931.db2.gz UWQKBDCGTSRSHA-QGZVFWFLSA-N 0 3 392.459 3.916 20 5 GHBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000770446262 874689409 /nfs/dbraw/zinc/68/94/09/874689409.db2.gz SWKUBBLWLRHDJG-VGZTZGLTSA-N 0 3 395.459 3.570 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H]2COc2ccc(Cl)cc2)cc1 ZINC000776273779 876136407 /nfs/dbraw/zinc/13/64/07/876136407.db2.gz AKHWZTQENQFNLO-IEBWSBKVSA-N 0 3 376.840 3.825 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000450790081 876892588 /nfs/dbraw/zinc/89/25/88/876892588.db2.gz XNIBENLACUUKCB-UHFFFAOYSA-N 0 3 386.427 3.769 20 5 GHBDHN COc1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000450854723 877013329 /nfs/dbraw/zinc/01/33/29/877013329.db2.gz GPGYHTRRZKMUAD-JCURWCKSSA-N 0 3 398.406 3.642 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610060923 877343578 /nfs/dbraw/zinc/34/35/78/877343578.db2.gz WZXVNVOVJYSAJD-UHFFFAOYSA-N 0 3 395.503 3.915 20 5 GHBDHN COc1cc(Br)ccc1[C@@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787346684 877365775 /nfs/dbraw/zinc/36/57/75/877365775.db2.gz WQGZUVNCYPPFOH-BZNIZROVSA-N 0 3 395.253 3.750 20 5 GHBDHN C/C=C\c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000451107461 877366824 /nfs/dbraw/zinc/36/68/24/877366824.db2.gz RSWDZERGTZLFLH-NEPGBVGISA-N 0 3 386.448 3.727 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787809993 877676633 /nfs/dbraw/zinc/67/66/33/877676633.db2.gz AOYHYRNVHMYCDJ-CYBMUJFWSA-N 0 3 376.844 3.890 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F ZINC000179804072 878041485 /nfs/dbraw/zinc/04/14/85/878041485.db2.gz QEVZKEHCWMUBRK-INIZCTEOSA-N 0 3 393.390 3.951 20 5 GHBDHN CCN1CCN(c2ccc(N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000788693999 878248511 /nfs/dbraw/zinc/24/85/11/878248511.db2.gz SZTOQZIRQGMUOO-MRXNPFEDSA-N 0 3 383.496 3.800 20 5 GHBDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000852351498 878270346 /nfs/dbraw/zinc/27/03/46/878270346.db2.gz PECIOZUHJMRMJQ-YVLXSGLVSA-N 0 3 377.268 3.557 20 5 GHBDHN O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000493439898 879435977 /nfs/dbraw/zinc/43/59/77/879435977.db2.gz MVVKJZUJWPDPCA-UHFFFAOYSA-N 0 3 389.839 3.866 20 5 GHBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000493476486 879469773 /nfs/dbraw/zinc/46/97/73/879469773.db2.gz CUVQIDUHNVJYPZ-FOIQADDNSA-N 0 3 380.448 3.505 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1F ZINC000854156947 879590784 /nfs/dbraw/zinc/59/07/84/879590784.db2.gz ZFZDMVCOUNRTHW-UHFFFAOYSA-N 0 3 389.402 3.576 20 5 GHBDHN CO[C@@]1(CNCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000461423300 879781475 /nfs/dbraw/zinc/78/14/75/879781475.db2.gz UAQZTVYIZITPRP-HXUWFJFHSA-N 0 3 388.489 3.950 20 5 GHBDHN COc1ccc(-c2ccc(CNCCNc3cccc(C)n3)o2)c([N+](=O)[O-])c1 ZINC000538603718 879793470 /nfs/dbraw/zinc/79/34/70/879793470.db2.gz DWXIRPSRIMOZIZ-UHFFFAOYSA-N 0 3 382.420 3.769 20 5 GHBDHN Cc1ccc(Sc2ccc(CNCCc3ncn(C)n3)cc2[N+](=O)[O-])cc1 ZINC000531778439 880465789 /nfs/dbraw/zinc/46/57/89/880465789.db2.gz RQHXVYOZTAHVLN-UHFFFAOYSA-N 0 3 383.477 3.515 20 5 GHBDHN CCOC(=O)c1cnn(C2CCN([C@@H](CC)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000453296153 880744378 /nfs/dbraw/zinc/74/43/78/880744378.db2.gz YGSQUAIKUIODON-IBGZPJMESA-N 0 3 386.452 3.756 20 5 GHBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000796696019 881018066 /nfs/dbraw/zinc/01/80/66/881018066.db2.gz PIBAERINTWQBEJ-QFYYESIMSA-N 0 3 383.217 3.881 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000499115546 881184741 /nfs/dbraw/zinc/18/47/41/881184741.db2.gz HPHHEHMHSBRYDK-KSSFIOAISA-N 0 3 388.443 3.705 20 5 GHBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000609383291 883124544 /nfs/dbraw/zinc/12/45/44/883124544.db2.gz LBOPVTGUTHBPBF-MRXNPFEDSA-N 0 3 381.432 3.601 20 5 GHBDHN CN1CCC(N(C(=O)CCNc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000609566812 883348572 /nfs/dbraw/zinc/34/85/72/883348572.db2.gz OGFWWMUWZVEYQS-UHFFFAOYSA-N 0 3 382.464 3.524 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000609640153 883466561 /nfs/dbraw/zinc/46/65/61/883466561.db2.gz XMZKLAWUNJJVSR-HXUWFJFHSA-N 0 3 396.491 3.963 20 5 GHBDHN CC(C)c1ccc(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000609708242 883566412 /nfs/dbraw/zinc/56/64/12/883566412.db2.gz XFFKSXHROKBRQY-QHCPKHFHSA-N 0 3 397.519 3.835 20 5 GHBDHN CC(C)(CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000914511821 883940377 /nfs/dbraw/zinc/94/03/77/883940377.db2.gz DMWRXKMMCZRGIT-XFXZXTDPSA-N 0 3 379.460 3.561 20 5 GHBDHN C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1C ZINC000498480878 884546213 /nfs/dbraw/zinc/54/62/13/884546213.db2.gz KZCKYNGSVGKMSR-KGLIPLIRSA-N 0 3 388.493 3.711 20 5 GHBDHN COc1ccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F ZINC000026256684 886242065 /nfs/dbraw/zinc/24/20/65/886242065.db2.gz CLNATHNUPUDTFN-UHFFFAOYSA-N 0 3 375.400 3.512 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)s1 ZINC000808452596 886365801 /nfs/dbraw/zinc/36/58/01/886365801.db2.gz MGWBEBQNTZLZEG-OXQOHEQNSA-N 0 3 382.441 3.908 20 5 GHBDHN C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454244044 887549965 /nfs/dbraw/zinc/54/99/65/887549965.db2.gz VBANDQAJZHSATJ-OXJNMPFZSA-N 0 3 382.464 3.792 20 5 GHBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000287182231 913166493 /nfs/dbraw/zinc/16/64/93/913166493.db2.gz ORKPOLLVUULISM-QVKFZJNVSA-N 0 3 375.472 3.792 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000809935570 887987262 /nfs/dbraw/zinc/98/72/62/887987262.db2.gz OHWOTLKYEGESBO-HNNXBMFYSA-N 0 3 388.295 3.588 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533292321 890207068 /nfs/dbraw/zinc/20/70/68/890207068.db2.gz DULXGNSHELGIBC-VHSSKADRSA-N 0 3 395.887 3.712 20 5 GHBDHN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103232 891274094 /nfs/dbraw/zinc/27/40/94/891274094.db2.gz ZFNKOUVGYGBNNB-SECBINFHSA-N 0 3 388.804 3.518 20 5 GHBDHN Cc1cc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3c(C)noc3n2)c(C)s1 ZINC000813111964 891305633 /nfs/dbraw/zinc/30/56/33/891305633.db2.gz LXEFBIRDMQQAJY-MRVPVSSYSA-N 0 3 375.406 3.699 20 5 GHBDHN CC(COC(=O)c1ccc(COc2ccccc2Br)cc1)[N+](=O)[O-] ZINC000813114000 891306947 /nfs/dbraw/zinc/30/69/47/891306947.db2.gz KVWLSDPDONFCKZ-GFCCVEGCSA-N 0 3 394.221 3.850 20 5 GHBDHN Cc1ccc([C@@H](CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])N2CCCC2)o1 ZINC001185180295 913705636 /nfs/dbraw/zinc/70/56/36/913705636.db2.gz MCGAEQAJPHYYGP-QGZVFWFLSA-N 0 3 384.411 3.854 20 5 GHBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000194608121 893490741 /nfs/dbraw/zinc/49/07/41/893490741.db2.gz FCEGZAXPEJAMRG-FQEVSTJZSA-N 0 3 382.464 3.501 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498188726 893529668 /nfs/dbraw/zinc/52/96/68/893529668.db2.gz YAFOAUABWIYFDU-RDJZCZTQSA-N 0 3 390.443 3.708 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817424737 895614395 /nfs/dbraw/zinc/61/43/95/895614395.db2.gz SKRABNAWLJXCEE-ICSRJNTNSA-N 0 3 379.460 3.968 20 5 GHBDHN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4c(c3)CNC4)cc2[N+](=O)[O-])C1 ZINC000567463692 897180304 /nfs/dbraw/zinc/18/03/04/897180304.db2.gz YXCGPYOGMFBHPZ-HUUCEWRRSA-N 0 3 394.475 3.933 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000883265165 897421432 /nfs/dbraw/zinc/42/14/32/897421432.db2.gz UBTPPHJEMHYNER-HOCLYGCPSA-N 0 3 380.510 3.943 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000883265166 897421780 /nfs/dbraw/zinc/42/17/80/897421780.db2.gz UBTPPHJEMHYNER-ZBFHGGJFSA-N 0 3 380.510 3.943 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC4(CCC4)[C@@H]3[C@H]3CCCO3)o2)c1 ZINC000289624929 914268887 /nfs/dbraw/zinc/26/88/87/914268887.db2.gz RPCYXOVKLWUCSJ-XLIONFOSSA-N 0 3 383.448 3.826 20 5 GHBDHN COc1cc(COC(=O)C2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000778809683 900085908 /nfs/dbraw/zinc/08/59/08/900085908.db2.gz OMMOGLSHMXKIDO-UHFFFAOYSA-N 0 3 384.432 3.559 20 5 GHBDHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093454687 901548929 /nfs/dbraw/zinc/54/89/29/901548929.db2.gz MMNRNIVQZWLRFS-HXUWFJFHSA-N 0 3 396.447 3.534 20 5 GHBDHN CCC(=O)c1ccc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872668 902472187 /nfs/dbraw/zinc/47/21/87/902472187.db2.gz LKDQSHIHMSVDOZ-RNODOKPDSA-N 0 3 389.379 3.747 20 5 GHBDHN CSc1ncc(Cl)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845872107 902473856 /nfs/dbraw/zinc/47/38/56/902473856.db2.gz BVUKVMKIJPMXSI-ISVAXAHUSA-N 0 3 385.804 3.554 20 5 GHBDHN Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873781 902475096 /nfs/dbraw/zinc/47/50/96/902475096.db2.gz VYFJBTHMLZWFLX-YWZLYKJASA-N 0 3 391.443 3.787 20 5 GHBDHN CC([C@@H](OC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874445 902476854 /nfs/dbraw/zinc/47/68/54/902476854.db2.gz IPUHDYBYRALGJE-ORAYPTAESA-N 0 3 386.379 3.516 20 5 GHBDHN CC([C@@H](OC(=O)COC[C@@H](C)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845875843 902480688 /nfs/dbraw/zinc/48/06/88/902480688.db2.gz CXBMKMTVAXOZQN-QEEYODRMSA-N 0 3 375.396 3.896 20 5 GHBDHN CC([C@H](OC(=O)CCC(=O)c1cccc(F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845879532 902482497 /nfs/dbraw/zinc/48/24/97/902482497.db2.gz VRTOZGLLWNDWSI-BLVKFPJESA-N 0 3 377.343 3.877 20 5 GHBDHN CC(C)NC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845880615 902483600 /nfs/dbraw/zinc/48/36/00/902483600.db2.gz XBUIDCJOAWDVDJ-FZKQIMNGSA-N 0 3 388.395 3.527 20 5 GHBDHN C[C@H]1[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001186640079 914698251 /nfs/dbraw/zinc/69/82/51/914698251.db2.gz WQZJRDXTZIAAJC-YJBOKZPZSA-N 0 3 392.459 3.522 20 5 GHBDHN CCOc1ccc([C@H](C)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000152636713 904287694 /nfs/dbraw/zinc/28/76/94/904287694.db2.gz AFWSANZZAOCXCN-KRWDZBQOSA-N 0 3 399.491 3.677 20 5 GHBDHN Cc1nc([C@H](C)NC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cs1 ZINC001173011433 906088407 /nfs/dbraw/zinc/08/84/07/906088407.db2.gz DBAQFFPINHAFMM-JTQLQIEISA-N 0 3 382.436 3.958 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCc4cc(O)ccc4C3)CC2)c(F)c1 ZINC001173014158 906092530 /nfs/dbraw/zinc/09/25/30/906092530.db2.gz OTYWIMNVQFCKDL-UHFFFAOYSA-N 0 3 389.402 3.606 20 5 GHBDHN COc1cc(CN(C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc(OC)c1 ZINC001173189255 906269547 /nfs/dbraw/zinc/26/95/47/906269547.db2.gz JXLLCEGJLMXFHA-CYBMUJFWSA-N 0 3 392.427 3.823 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173233833 906320837 /nfs/dbraw/zinc/32/08/37/906320837.db2.gz ZKNVJDBIAFDLOX-VKJFTORMSA-N 0 3 377.485 3.761 20 5 GHBDHN CCC[C@H](NCc1ccccc1CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000178299393 906324075 /nfs/dbraw/zinc/32/40/75/906324075.db2.gz ZKMUVXYZTDKLRT-IBGZPJMESA-N 0 3 376.478 3.770 20 5 GHBDHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000178815748 906389615 /nfs/dbraw/zinc/38/96/15/906389615.db2.gz OXDRNKWGTKMFCL-MRXNPFEDSA-N 0 3 397.460 3.552 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000195691206 909032275 /nfs/dbraw/zinc/03/22/75/909032275.db2.gz HESOWFOHGCFUDZ-HXUWFJFHSA-N 0 3 385.464 3.725 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000246225857 910193644 /nfs/dbraw/zinc/19/36/44/910193644.db2.gz FGXCNZCABKTGSC-QAPCUYQASA-N 0 3 387.505 3.843 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC001181286532 910682503 /nfs/dbraw/zinc/68/25/03/910682503.db2.gz SUDFPCMKJXTQMR-LLVKDONJSA-N 0 3 388.773 3.606 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295113277 917147463 /nfs/dbraw/zinc/14/74/63/917147463.db2.gz WIUFISJEQSHVCK-RHSMWYFYSA-N 0 3 379.363 3.601 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900685114 920517304 /nfs/dbraw/zinc/51/73/04/920517304.db2.gz LVEDWPUHARSWBX-UHFFFAOYSA-N 0 3 395.818 3.717 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411157814 926153361 /nfs/dbraw/zinc/15/33/61/926153361.db2.gz NKEGWGZCDFGNHB-PWRODBHTSA-N 0 3 379.460 3.652 20 5 GHBDHN Cc1c(NC(=O)CCN2CC[C@@H](c3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000469474719 929923771 /nfs/dbraw/zinc/92/37/71/929923771.db2.gz PZIFVNKBMRTDGU-CQSZACIVSA-N 0 3 389.402 4.000 20 5 GHBDHN CC[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1Cc1ccccc1 ZINC000546759011 930408377 /nfs/dbraw/zinc/40/83/77/930408377.db2.gz XPHHSNOTZMNYEI-KRWDZBQOSA-N 0 3 377.448 3.639 20 5 GHBDHN CCNc1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000470818109 930937037 /nfs/dbraw/zinc/93/70/37/930937037.db2.gz YNUUADOYZNCEQM-IBGZPJMESA-N 0 3 396.491 3.763 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000784512943 931920036 /nfs/dbraw/zinc/92/00/36/931920036.db2.gz WWDLSQAPYJLWCO-BHYGNILZSA-N 0 3 375.469 3.720 20 5 GHBDHN CC[C@H](C)NC(=O)CCNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116012480 933281317 /nfs/dbraw/zinc/28/13/17/933281317.db2.gz AYNOSDGWFGLKOC-LBPRGKRZSA-N 0 3 379.844 3.903 20 5 GHBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nc([C@@H]3CN4CCC3CC4)no2)CC1 ZINC001117548031 933953115 /nfs/dbraw/zinc/95/31/15/933953115.db2.gz RXMNFBCRFAFPBL-GOSISDBHSA-N 0 3 397.479 3.690 20 5 GHBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000561434091 934156607 /nfs/dbraw/zinc/15/66/07/934156607.db2.gz APRLWKPKBCEFEB-APWZRJJASA-N 0 3 379.460 3.889 20 5 GHBDHN Cc1nc(CSCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC001122995681 935050436 /nfs/dbraw/zinc/05/04/36/935050436.db2.gz OAFQNEUTCBTLHA-QFYYESIMSA-N 0 3 384.454 3.774 20 5 GHBDHN CCNc1ccc(C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545475391 1015914560 /nfs/dbraw/zinc/91/45/60/1015914560.db2.gz NLMGATTWUHKWTO-LJQANCHMSA-N 0 3 396.491 3.763 20 5 GHBDHN O=[N+]([O-])c1cc2c(cc1F)ncnc2O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001226803559 1032135204 /nfs/dbraw/zinc/13/52/04/1032135204.db2.gz BKQGRFZDFDUJQQ-OAHLLOKOSA-N 0 3 382.395 3.721 20 5 GHBDHN Cc1nc(Cl)nc(O[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001227338060 1032380250 /nfs/dbraw/zinc/38/02/50/1032380250.db2.gz IXSIQPQJIKNKLX-DOMZBBRYSA-N 0 3 376.844 3.636 20 5 GHBDHN C[C@@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 ZINC000779009910 1020191122 /nfs/dbraw/zinc/19/11/22/1020191122.db2.gz QRWGJJFOTSWRLF-KGLIPLIRSA-N 0 3 387.402 3.551 20 5 GHBDHN C[Si](C)(C)CCOCN[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001156464498 1033046470 /nfs/dbraw/zinc/04/64/70/1033046470.db2.gz OFEYUOHRKCNYOT-CYBMUJFWSA-N 0 3 386.956 3.514 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000755143189 1023094005 /nfs/dbraw/zinc/09/40/05/1023094005.db2.gz WOWYISOBVLISRB-TZIWHRDSSA-N 0 3 379.460 3.670 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000755494088 1023271775 /nfs/dbraw/zinc/27/17/75/1023271775.db2.gz NLORVSZZDJOXLT-YTWOYLGCSA-N 0 3 379.460 3.777 20 5 GHBDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000838909353 1025435078 /nfs/dbraw/zinc/43/50/78/1025435078.db2.gz FPAIBCIBKVCTCI-UHFFFAOYSA-N 0 3 382.873 3.905 20 5 GHBDHN CCN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(OC(C)C)n3)cc2)CC1 ZINC001161975541 1025518192 /nfs/dbraw/zinc/51/81/92/1025518192.db2.gz ZRWDMLFOCUYKPD-UHFFFAOYSA-N 0 3 385.468 3.663 20 5 GHBDHN COC(=O)/C=C\c1ccc(N[C@H]2CCN(Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831118 1026331320 /nfs/dbraw/zinc/33/13/20/1026331320.db2.gz KCCGMBCSJGEMOU-FUKPKEADSA-N 0 3 395.459 3.776 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001461174380 1069426263 /nfs/dbraw/zinc/42/62/63/1069426263.db2.gz RLWOMCYSZYIIBB-UHFFFAOYSA-N 0 3 393.484 3.873 20 5 GHBDHN CC1CCN([C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC001142071807 1028028498 /nfs/dbraw/zinc/02/84/98/1028028498.db2.gz SZIUOPOOEZOQDQ-OAQYLSRUSA-N 0 3 399.466 3.866 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000842901615 1029672016 /nfs/dbraw/zinc/67/20/16/1029672016.db2.gz MSNFZGDOZBCWOV-LSDHHAIUSA-N 0 3 398.463 3.935 20 5 GHBDHN CN1CCC(N(Cc2ccc(F)cc2)c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001158446746 1034080159 /nfs/dbraw/zinc/08/01/59/1034080159.db2.gz YWFMTQWIGYZCBN-UHFFFAOYSA-N 0 3 378.835 3.883 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001207806906 1034585378 /nfs/dbraw/zinc/58/53/78/1034585378.db2.gz ZIJFZTMJUILGCX-AWEZNQCLSA-N 0 3 381.448 3.861 20 5 GHBDHN CC(C)(C)N1CCN(C(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)CC1 ZINC001160577667 1035007662 /nfs/dbraw/zinc/00/76/62/1035007662.db2.gz PPQHRBUKBODIRM-QHCPKHFHSA-N 0 3 389.543 3.806 20 5 GHBDHN Cc1ccc(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001254242237 1040094081 /nfs/dbraw/zinc/09/40/81/1040094081.db2.gz WTUNUNGXTLDBCR-HXUWFJFHSA-N 0 3 396.491 3.709 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H](CO)c3cccc(Cl)c3F)CC2)cc1 ZINC001254472687 1040258298 /nfs/dbraw/zinc/25/82/98/1040258298.db2.gz JWKSKSJGYFJLSP-GOSISDBHSA-N 0 3 393.846 3.679 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001254554290 1040323246 /nfs/dbraw/zinc/32/32/46/1040323246.db2.gz BOFIIEHZWAPFNY-DGEVVOEJSA-N 0 3 397.475 3.622 20 5 GHBDHN C[C@@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)Nc1ccc2ccccc2c1 ZINC001254579867 1040355202 /nfs/dbraw/zinc/35/52/02/1040355202.db2.gz WMTIZFNGAJBPKG-JLTOFOAXSA-N 0 3 375.428 3.832 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC[C@]12CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594577 1040368153 /nfs/dbraw/zinc/36/81/53/1040368153.db2.gz RRQMRPAYBATTGS-WIYYLYMNSA-N 0 3 387.480 3.537 20 5 GHBDHN O=C(OCc1ccccc1)[C@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254610609 1040382233 /nfs/dbraw/zinc/38/22/33/1040382233.db2.gz LTPNYLWWNDBAOZ-GHTZIAJQSA-N 0 3 380.444 3.517 20 5 GHBDHN O=C1OC2(CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c2ccc(Cl)cc21 ZINC001254609612 1040382552 /nfs/dbraw/zinc/38/25/52/1040382552.db2.gz YDGCFUZAYSQFGX-KRWDZBQOSA-N 0 3 398.846 3.877 20 5 GHBDHN CC[C@H](NC(=O)NC[C@@H](C)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000489634457 1045906059 /nfs/dbraw/zinc/90/60/59/1045906059.db2.gz UBGCAYJIPZWWDR-UZLBHIALSA-N 0 3 384.480 3.866 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001301866777 1046733884 /nfs/dbraw/zinc/73/38/84/1046733884.db2.gz DCYCNZOLEYHEIH-DZWQLVLCSA-N 0 3 379.460 3.635 20 5 GHBDHN CN(C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001307104325 1049076826 /nfs/dbraw/zinc/07/68/26/1049076826.db2.gz RXMKKSKKJSMMDQ-CYBMUJFWSA-N 0 3 388.777 3.799 20 5 GHBDHN COCC[C@H](C)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001307416632 1049257561 /nfs/dbraw/zinc/25/75/61/1049257561.db2.gz KTALAJYAUACKGS-INIZCTEOSA-N 0 3 389.521 3.866 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(C)[C@@H](C)[C@H]2C)cc1OC ZINC001307629910 1049460492 /nfs/dbraw/zinc/46/04/92/1049460492.db2.gz NGFVZHJEOMZVSF-HRCADAONSA-N 0 3 379.501 3.553 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)N(CC)C[C@@H]2C)cc1OC ZINC001307645091 1049472113 /nfs/dbraw/zinc/47/21/13/1049472113.db2.gz USNOVHWTPGOFIF-BBWFWOEESA-N 0 3 393.528 3.943 20 5 GHBDHN CCOc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001307862764 1049645281 /nfs/dbraw/zinc/64/52/81/1049645281.db2.gz JJCJGPUCGZBYMG-HZPDHXFCSA-N 0 3 393.484 3.919 20 5 GHBDHN COc1ccccc1O[C@H](C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001308290633 1049939446 /nfs/dbraw/zinc/93/94/46/1049939446.db2.gz KZRNHOIOBRNPRY-GFCCVEGCSA-N 0 3 382.363 3.762 20 5 GHBDHN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001308305587 1049944350 /nfs/dbraw/zinc/94/43/50/1049944350.db2.gz GCDAZQSXKVUVPU-IRLDBZIGSA-N 0 3 383.492 3.672 20 5 GHBDHN COc1cc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cc([N+](=O)[O-])c1 ZINC000903076193 1049958492 /nfs/dbraw/zinc/95/84/92/1049958492.db2.gz LFWJMTLSFBIORI-MRXNPFEDSA-N 0 3 399.491 3.663 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC001308536809 1050001843 /nfs/dbraw/zinc/00/18/43/1050001843.db2.gz MERJAZGZHHIAJU-RTBURBONSA-N 0 3 383.448 3.875 20 5 GHBDHN CN1CCN(Cc2cccc(CNc3nccc4c3cccc4[N+](=O)[O-])c2)CC1 ZINC001330590784 1051034217 /nfs/dbraw/zinc/03/42/17/1051034217.db2.gz RNRWZIBDLCIVMU-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC(c2cccs2)c2cccs2)c1 ZINC001335301976 1052066993 /nfs/dbraw/zinc/06/69/93/1052066993.db2.gz RIDUHUPJUXHLRJ-CQSZACIVSA-N 0 3 390.486 3.837 20 5 GHBDHN C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001312817640 1052881253 /nfs/dbraw/zinc/88/12/53/1052881253.db2.gz UUVHUVXFEGFBOR-FUHIMQAGSA-N 0 3 396.491 3.661 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001319897342 1055529017 /nfs/dbraw/zinc/52/90/17/1055529017.db2.gz ZRRKBMKBWSQYNM-QFBILLFUSA-N 0 3 397.475 3.949 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001319897340 1055529259 /nfs/dbraw/zinc/52/92/59/1055529259.db2.gz ZRRKBMKBWSQYNM-APWZRJJASA-N 0 3 397.475 3.949 20 5 GHBDHN Cn1nc(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001474744594 1055614502 /nfs/dbraw/zinc/61/45/02/1055614502.db2.gz MJLOWJXPTKRAPS-WFASDCNBSA-N 0 3 382.386 3.848 20 5 GHBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001320718278 1055938463 /nfs/dbraw/zinc/93/84/63/1055938463.db2.gz ZTYBFYBBKPPZNH-HOCLYGCPSA-N 0 3 378.812 3.940 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001456564001 1062753947 /nfs/dbraw/zinc/75/39/47/1062753947.db2.gz QTGHIHOPWMNDIR-QGZVFWFLSA-N 0 3 381.476 3.948 20 5 GHBDHN CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460346446 1068935454 /nfs/dbraw/zinc/93/54/54/1068935454.db2.gz XSOKOINMCLGTRH-RTBURBONSA-N 0 3 386.448 3.655 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1Cc1ccccc1F ZINC001460359473 1068940944 /nfs/dbraw/zinc/94/09/44/1068940944.db2.gz YQGPVGSWNWACDC-QZTJIDSGSA-N 0 3 388.439 3.571 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](c2ccccc2)CC1 ZINC001460944524 1069290428 /nfs/dbraw/zinc/29/04/28/1069290428.db2.gz DMJDTTMUCIONJT-HXUWFJFHSA-N 0 3 383.448 3.695 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](c1cccc(F)c1)N(C)C ZINC001472634330 1073588182 /nfs/dbraw/zinc/58/81/82/1073588182.db2.gz BMMROZFCKBEDAZ-GOSISDBHSA-N 0 3 375.400 3.544 20 5 GHBDHN Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001473178965 1073835908 /nfs/dbraw/zinc/83/59/08/1073835908.db2.gz BHDSIEAKICAGGJ-CSODHUTKSA-N 0 3 379.460 3.887 20 5 GHBDHN COc1ccc(OCCN2CCC[C@H](N(C)c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001473303876 1073912677 /nfs/dbraw/zinc/91/26/77/1073912677.db2.gz WTCLBFBCGDELLJ-IBGZPJMESA-N 0 3 399.491 3.891 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001473451053 1073968844 /nfs/dbraw/zinc/96/88/44/1073968844.db2.gz CQLLSOGOPAIXMB-SUNYJGFJSA-N 0 3 393.484 3.727 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC001473575275 1074024978 /nfs/dbraw/zinc/02/49/78/1074024978.db2.gz PQUOSENLAFGDQJ-UHFFFAOYSA-N 0 3 380.448 3.805 20 5 GHBDHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cc(F)ccc1[N+](=O)[O-] ZINC001620623777 1126241424 /nfs/dbraw/zinc/24/14/24/1126241424.db2.gz HANFQLHMLOYRAL-KRWDZBQOSA-N 0 3 397.244 3.580 20 5 GHBDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180650852 837423125 /nfs/dbraw/zinc/42/31/25/837423125.db2.gz VZGQRWRXGPGTLQ-FOIQADDNSA-N 0 3 396.447 3.534 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000536215991 834720905 /nfs/dbraw/zinc/72/09/05/834720905.db2.gz UCSWXPDZOXYJAG-UHFFFAOYSA-N 0 3 393.447 3.618 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000536215703 834732658 /nfs/dbraw/zinc/73/26/58/834732658.db2.gz QWQZIFHUPHSIAZ-UHFFFAOYSA-N 0 3 394.431 3.531 20 5 GHBDHN C[C@@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCOC1 ZINC000120181721 834761767 /nfs/dbraw/zinc/76/17/67/834761767.db2.gz DQLIRYDXGMSWEM-MRXNPFEDSA-N 0 3 381.226 3.886 20 5 GHBDHN O=C(c1cc(Cl)c[nH]1)N1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000375767212 834850089 /nfs/dbraw/zinc/85/00/89/834850089.db2.gz BPYRMIVSLUBIOZ-UHFFFAOYSA-N 0 3 397.262 3.624 20 5 GHBDHN CN(C)CCN(CC1CCCCC1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000536161300 835245383 /nfs/dbraw/zinc/24/53/83/835245383.db2.gz RLNHTEYPLJIKKB-UHFFFAOYSA-N 0 3 386.496 3.589 20 5 GHBDHN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187170233 835254529 /nfs/dbraw/zinc/25/45/29/835254529.db2.gz CXQCCRUAUVSJHE-HRAATJIYSA-N 0 3 396.491 3.616 20 5 GHBDHN CC(C)Oc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000411198502 836093499 /nfs/dbraw/zinc/09/34/99/836093499.db2.gz XXDWSWHEEKZWFM-UHFFFAOYSA-N 0 3 397.475 3.776 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CN1CCCC1)c1ccccc1 ZINC000609784463 836148231 /nfs/dbraw/zinc/14/82/31/836148231.db2.gz TWWKKZZWIHKVBF-LJQANCHMSA-N 0 3 387.867 3.744 20 5 GHBDHN COc1ccc(NC(=O)CCNC2(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000411463924 836184875 /nfs/dbraw/zinc/18/48/75/836184875.db2.gz STAFUVMVXHPVKV-UHFFFAOYSA-N 0 3 389.839 3.864 20 5 GHBDHN Cc1c([C@H](C)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000246911429 836263240 /nfs/dbraw/zinc/26/32/40/836263240.db2.gz GGXNMMFKSAORBF-WMZOPIPTSA-N 0 3 383.492 3.975 20 5 GHBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H](c3cccs3)N3CCCC3)cc2N1 ZINC000170639261 836505714 /nfs/dbraw/zinc/50/57/14/836505714.db2.gz ILQGHMOUMLSZGV-QGZVFWFLSA-N 0 3 386.477 3.790 20 5 GHBDHN NCc1nn(-c2cc([N+](=O)[O-])cc3cc(Br)cnc32)c2ccccc12 ZINC001167697746 837272180 /nfs/dbraw/zinc/27/21/80/837272180.db2.gz DTGPWQAXFYSWID-UHFFFAOYSA-N 0 3 398.220 3.703 20 5 GHBDHN COc1cc(CN(Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000580343587 837336076 /nfs/dbraw/zinc/33/60/76/837336076.db2.gz SISVHZUDMHVGJB-IYARVYRRSA-N 0 3 386.448 3.615 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)c1 ZINC000549324411 837892642 /nfs/dbraw/zinc/89/26/42/837892642.db2.gz IYWQADCFNZTOBA-HXUWFJFHSA-N 0 3 385.464 3.589 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000046253260 838004725 /nfs/dbraw/zinc/00/47/25/838004725.db2.gz MQQRNKPVDMVCKM-SFHVURJKSA-N 0 3 390.509 3.881 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415980496 838347762 /nfs/dbraw/zinc/34/77/62/838347762.db2.gz ZGYILTSIQZXTPJ-UHFFFAOYSA-N 0 3 384.436 3.519 20 5 GHBDHN Cc1c(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000549192629 839247676 /nfs/dbraw/zinc/24/76/76/839247676.db2.gz XBSDMNIQKXPYTM-INIZCTEOSA-N 0 3 376.844 3.981 20 5 GHBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000458199945 844443938 /nfs/dbraw/zinc/44/39/38/844443938.db2.gz KFHPWAGMQNMEPK-UHFFFAOYSA-N 0 3 379.507 3.582 20 5 GHBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275924550 839886466 /nfs/dbraw/zinc/88/64/66/839886466.db2.gz GXGSDCNWDVDUEP-HRAATJIYSA-N 0 3 375.472 3.650 20 5 GHBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H]1OCCc2ccccc21 ZINC000511664988 840493539 /nfs/dbraw/zinc/49/35/39/840493539.db2.gz QLQTVINVMKZEGT-OAQYLSRUSA-N 0 3 392.459 3.741 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1n[nH]c(COc3ccccc3)n1)CCCC2 ZINC000417315432 840712925 /nfs/dbraw/zinc/71/29/25/840712925.db2.gz BNZXXWXOFAUHSA-LJQANCHMSA-N 0 3 393.447 3.849 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000160844013 841027511 /nfs/dbraw/zinc/02/75/11/841027511.db2.gz ADKDOGIGNATFCD-JKSUJKDBSA-N 0 3 393.447 3.767 20 5 GHBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000549532319 841429440 /nfs/dbraw/zinc/42/94/40/841429440.db2.gz RHZLTTOBSDVXHT-GFCCVEGCSA-N 0 3 395.385 3.989 20 5 GHBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000549532319 841429446 /nfs/dbraw/zinc/42/94/46/841429446.db2.gz RHZLTTOBSDVXHT-GFCCVEGCSA-N 0 3 395.385 3.989 20 5 GHBDHN O=[N+]([O-])c1cc(CN(Cc2ccccc2)CC2CCOCC2)c2c(c1)COCO2 ZINC000111261575 842035981 /nfs/dbraw/zinc/03/59/81/842035981.db2.gz RKBUJROUWYHUCH-UHFFFAOYSA-N 0 3 398.459 3.890 20 5 GHBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)N1CCN(c2ccccc2)CC1 ZINC000603854461 861278371 /nfs/dbraw/zinc/27/83/71/861278371.db2.gz ZDADACQSZCWLKY-KRWDZBQOSA-N 0 3 391.475 3.766 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000512108742 842518759 /nfs/dbraw/zinc/51/87/59/842518759.db2.gz HSSXYEPXOZGTOP-CQSZACIVSA-N 0 3 377.510 3.867 20 5 GHBDHN Cc1nc(COc2ccc(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)no1 ZINC000175985275 842661537 /nfs/dbraw/zinc/66/15/37/842661537.db2.gz DPZNDOCFDINYES-UHFFFAOYSA-N 0 3 382.420 3.890 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000512184230 842826230 /nfs/dbraw/zinc/82/62/30/842826230.db2.gz XLRLPTCKUKYZQD-QGZVFWFLSA-N 0 3 385.247 3.994 20 5 GHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(CCC(C)(C)C)CC1 ZINC000055936288 861360255 /nfs/dbraw/zinc/36/02/55/861360255.db2.gz WTNHBBASSUVLEF-CQSZACIVSA-N 0 3 396.919 3.629 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC000302812447 861373882 /nfs/dbraw/zinc/37/38/82/861373882.db2.gz ZESTUSQLKRPGNU-MRXNPFEDSA-N 0 3 377.391 3.576 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000610665762 843452829 /nfs/dbraw/zinc/45/28/29/843452829.db2.gz UDKYTKWBVWERTR-UHFFFAOYSA-N 0 3 381.476 3.570 20 5 GHBDHN CC(C)Oc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001126285230 843636508 /nfs/dbraw/zinc/63/65/08/843636508.db2.gz AHOWBYVTGVLBTD-IBGZPJMESA-N 0 3 397.475 3.776 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000549615875 843699842 /nfs/dbraw/zinc/69/98/42/843699842.db2.gz GGDROJPTHNNVFH-INIZCTEOSA-N 0 3 382.247 3.934 20 5 GHBDHN COC[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433195534 843810988 /nfs/dbraw/zinc/81/09/88/843810988.db2.gz WFJOQZQRZOPAIP-GHTZIAJQSA-N 0 3 385.464 3.646 20 5 GHBDHN O=C(NCc1ccccc1)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000513216911 845074179 /nfs/dbraw/zinc/07/41/79/845074179.db2.gz BUTIRKUVKIYERS-QFIPXVFZSA-N 0 3 389.455 3.785 20 5 GHBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Oc1ccccc1 ZINC000539259440 846049130 /nfs/dbraw/zinc/04/91/30/846049130.db2.gz SWWJGRREUWXWJA-INIZCTEOSA-N 0 3 379.416 3.900 20 5 GHBDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502581090 846225989 /nfs/dbraw/zinc/22/59/89/846225989.db2.gz WLDFENFQZKUPIT-OWYVNGRQSA-N 0 3 391.802 3.715 20 5 GHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119823055 846354029 /nfs/dbraw/zinc/35/40/29/846354029.db2.gz NMHWMIMBGWYYPE-FQEVSTJZSA-N 0 3 378.432 3.643 20 5 GHBDHN C[C@@H](OC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511082795 846461819 /nfs/dbraw/zinc/46/18/19/846461819.db2.gz UTLBCNGATHAGNI-BEFAXECRSA-N 0 3 392.883 3.861 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H]2CCC[C@H]2CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000502844738 846536835 /nfs/dbraw/zinc/53/68/35/846536835.db2.gz UQEGTQJIJOFABU-DJPFJPOOSA-N 0 3 397.475 3.724 20 5 GHBDHN COc1cccc(CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCO2)c1 ZINC000065537864 846923189 /nfs/dbraw/zinc/92/31/89/846923189.db2.gz XMQORVJWFKDOCB-NRFANRHFSA-N 0 3 386.448 3.663 20 5 GHBDHN Cc1c(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000478451501 847082319 /nfs/dbraw/zinc/08/23/19/847082319.db2.gz PTDBEOWFGSKJRM-HXUWFJFHSA-N 0 3 382.464 3.540 20 5 GHBDHN Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000128578164 861861657 /nfs/dbraw/zinc/86/16/57/861861657.db2.gz JAZYHIDNIJNQII-LLVKDONJSA-N 0 3 380.445 3.829 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000505589922 849998363 /nfs/dbraw/zinc/99/83/63/849998363.db2.gz CLCIKNQHYUFVMO-HGHGUNKESA-N 0 3 383.492 3.971 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000843740289 850150082 /nfs/dbraw/zinc/15/00/82/850150082.db2.gz HQCNNJCNTDDRGP-FXAWDEMLSA-N 0 3 399.878 3.934 20 5 GHBDHN CCOc1cc(NCc2ccccc2CN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000486968808 850287610 /nfs/dbraw/zinc/28/76/10/850287610.db2.gz JVEKJEOHRHKYAR-UHFFFAOYSA-N 0 3 398.507 3.743 20 5 GHBDHN COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519179854 850708037 /nfs/dbraw/zinc/70/80/37/850708037.db2.gz AHRQJAKRLIPHNY-HNNXBMFYSA-N 0 3 389.839 3.863 20 5 GHBDHN CN(CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 ZINC000435938241 851011259 /nfs/dbraw/zinc/01/12/59/851011259.db2.gz RFNNDHNILRXXRD-UHFFFAOYSA-N 0 3 399.494 3.933 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000515503108 851122771 /nfs/dbraw/zinc/12/27/71/851122771.db2.gz VIOXSDUQJDGHPI-GOSISDBHSA-N 0 3 376.840 3.653 20 5 GHBDHN COc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000570036699 851220916 /nfs/dbraw/zinc/22/09/16/851220916.db2.gz DPURXTUAAVWPOC-UHFFFAOYSA-N 0 3 397.353 3.741 20 5 GHBDHN CC[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)N1CCc2ccccc2C1 ZINC000514226814 851423517 /nfs/dbraw/zinc/42/35/17/851423517.db2.gz LTLZMCHENVXPIM-SFHVURJKSA-N 0 3 382.464 3.862 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000489100295 852002720 /nfs/dbraw/zinc/00/27/20/852002720.db2.gz QCNFAYXLBRMMKY-UHFFFAOYSA-N 0 3 379.363 3.819 20 5 GHBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000555986542 862341851 /nfs/dbraw/zinc/34/18/51/862341851.db2.gz MMNPZEADNOQQTI-MRXNPFEDSA-N 0 3 377.488 3.676 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000518317416 853194337 /nfs/dbraw/zinc/19/43/37/853194337.db2.gz RNZBOPIAAZWWTL-DOTOQJQBSA-N 0 3 377.510 3.509 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000491051809 853426896 /nfs/dbraw/zinc/42/68/96/853426896.db2.gz PGESFOXCJOEXQR-GDBMZVCRSA-N 0 3 388.468 3.852 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760658160 853696810 /nfs/dbraw/zinc/69/68/10/853696810.db2.gz RUCOXFRSIALXTB-QGZVFWFLSA-N 0 3 387.867 3.985 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000588771329 854411583 /nfs/dbraw/zinc/41/15/83/854411583.db2.gz XRDGXMZFILLSBQ-KBXCAEBGSA-N 0 3 385.489 3.710 20 5 GHBDHN Cn1cc(CN2CCC(c3cccnc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589196196 854742052 /nfs/dbraw/zinc/74/20/52/854742052.db2.gz JJNUOWHDLXJYJJ-UHFFFAOYSA-N 0 3 377.448 3.770 20 5 GHBDHN Cc1c([C@@H](C)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000765848182 855557036 /nfs/dbraw/zinc/55/70/36/855557036.db2.gz HDSDTRWHLKTNJI-ZUOKHONESA-N 0 3 384.411 3.612 20 5 GHBDHN O=C1NCCC[C@H]1CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000590971832 855681502 /nfs/dbraw/zinc/68/15/02/855681502.db2.gz ONVNVXCWTMQUSF-AWEZNQCLSA-N 0 3 389.839 3.656 20 5 GHBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(CC)CC ZINC000482151935 862746337 /nfs/dbraw/zinc/74/63/37/862746337.db2.gz VBRCJFCPULAZAQ-JKSUJKDBSA-N 0 3 383.876 3.760 20 5 GHBDHN CC[C@H](C)NC(=O)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507931816 856709282 /nfs/dbraw/zinc/70/92/82/856709282.db2.gz ZFSGWLKQXXNPPU-INIZCTEOSA-N 0 3 384.480 3.757 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173117475 856747604 /nfs/dbraw/zinc/74/76/04/856747604.db2.gz VNMQQIKYFCWWRN-UHFFFAOYSA-N 0 3 381.354 3.605 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2c(C)cc(C)cc2C1 ZINC000485860549 857163312 /nfs/dbraw/zinc/16/33/12/857163312.db2.gz UJIJXLKCYGGMPE-UHFFFAOYSA-N 0 3 383.448 3.607 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2c(C)cc(C)cc2C1 ZINC000485879857 857181721 /nfs/dbraw/zinc/18/17/21/857181721.db2.gz HFFHKAWFBWBJFM-UHFFFAOYSA-N 0 3 383.448 3.607 20 5 GHBDHN CC(C)NC(=O)c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000059386679 862884647 /nfs/dbraw/zinc/88/46/47/862884647.db2.gz SDUCTWZUAIBMGT-LJQANCHMSA-N 0 3 396.491 3.810 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000520855030 857303622 /nfs/dbraw/zinc/30/36/22/857303622.db2.gz QIDSNRMYQVLPOR-KXBFYZLASA-N 0 3 387.505 3.803 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000246683685 857431615 /nfs/dbraw/zinc/43/16/15/857431615.db2.gz XZORRPZPJHPSNZ-SJCJKPOMSA-N 0 3 377.441 3.608 20 5 GHBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccccc1 ZINC000521172917 857703017 /nfs/dbraw/zinc/70/30/17/857703017.db2.gz KPIXPARHBHKNOJ-ZDUSSCGKSA-N 0 3 376.844 3.890 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000301859117 858313143 /nfs/dbraw/zinc/31/31/43/858313143.db2.gz CXKGJIQNAYHAAM-JKSUJKDBSA-N 0 3 395.381 3.661 20 5 GHBDHN CC1(C)C[C@H](NCC2(S(C)(=O)=O)CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000595076157 858412360 /nfs/dbraw/zinc/41/23/60/858412360.db2.gz FSYZGNPXSDRLFJ-KRWDZBQOSA-N 0 3 380.510 3.654 20 5 GHBDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000121071629 858417362 /nfs/dbraw/zinc/41/73/62/858417362.db2.gz VMQUKOOHPGJRTR-SUMWQHHRSA-N 0 3 387.436 3.680 20 5 GHBDHN Cc1c(CC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000439121167 858426306 /nfs/dbraw/zinc/42/63/06/858426306.db2.gz UQXPNQOEDNTAFL-UHFFFAOYSA-N 0 3 389.883 3.690 20 5 GHBDHN CC(C)(C)OC(=O)CC1(NCc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000595541264 858561780 /nfs/dbraw/zinc/56/17/80/858561780.db2.gz WIRCREQHXYVXHR-UHFFFAOYSA-N 0 3 384.860 3.619 20 5 GHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(C[C@H]1CCCO1)C(F)(F)F ZINC000593027821 858565951 /nfs/dbraw/zinc/56/59/51/858565951.db2.gz FPGYAQOYNSXIEK-ZJUUUORDSA-N 0 3 398.284 3.882 20 5 GHBDHN C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000543257571 859052127 /nfs/dbraw/zinc/05/21/27/859052127.db2.gz ZGSSZAKNMRBOFV-ZDUSSCGKSA-N 0 3 385.917 3.577 20 5 GHBDHN CCN(C)Cc1cc(O[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552959 881379218 /nfs/dbraw/zinc/37/92/18/881379218.db2.gz IZWMEJULVIYVLB-HSTAZWAASA-N 0 3 396.491 3.608 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543638881 859160705 /nfs/dbraw/zinc/16/07/05/859160705.db2.gz PXKVMRJHXZYBMU-UHFFFAOYSA-N 0 3 396.369 3.608 20 5 GHBDHN CN(CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000487436392 859175647 /nfs/dbraw/zinc/17/56/47/859175647.db2.gz GERVTXIUJYDMEQ-UHFFFAOYSA-N 0 3 393.443 3.962 20 5 GHBDHN CN(c1ccc2ncccc2c1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000764138257 859226091 /nfs/dbraw/zinc/22/60/91/859226091.db2.gz VGPDFHBZKWDUQM-UHFFFAOYSA-N 0 3 391.475 3.681 20 5 GHBDHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597224604 859374698 /nfs/dbraw/zinc/37/46/98/859374698.db2.gz MEYXYIIIGUXHON-MRXNPFEDSA-N 0 3 388.493 3.511 20 5 GHBDHN CCc1ccc([C@H](NC[C@@]2(N(C)C)CCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403734 859589150 /nfs/dbraw/zinc/58/91/50/859589150.db2.gz KOXBUMFDOZUPTM-UXHICEINSA-N 0 3 389.521 3.867 20 5 GHBDHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266778 859673911 /nfs/dbraw/zinc/67/39/11/859673911.db2.gz MGUKSCGEUSPLLU-VGOFRKELSA-N 0 3 398.459 3.966 20 5 GHBDHN COCC[C@@H](CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000466477686 859679220 /nfs/dbraw/zinc/67/92/20/859679220.db2.gz PSOMZWXMXBJOBD-AWEZNQCLSA-N 0 3 380.828 3.528 20 5 GHBDHN C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc(Cl)c1 ZINC000764980896 859724516 /nfs/dbraw/zinc/72/45/16/859724516.db2.gz UBDVIMACIJEIDD-KRWDZBQOSA-N 0 3 386.782 3.847 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](CC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170351235 881489061 /nfs/dbraw/zinc/48/90/61/881489061.db2.gz BQEXBIBMTIEIHJ-CABCVRRESA-N 0 3 378.469 3.588 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000484513048 860064795 /nfs/dbraw/zinc/06/47/95/860064795.db2.gz IHDUFJIGTXCCFW-IFXJQAMLSA-N 0 3 386.452 3.806 20 5 GHBDHN CCN1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000555125616 860083485 /nfs/dbraw/zinc/08/34/85/860083485.db2.gz NIJCTIZBQATMBA-VQIMIIECSA-N 0 3 379.382 3.937 20 5 GHBDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602563652 860116323 /nfs/dbraw/zinc/11/63/23/860116323.db2.gz FSZCAPHSRXOWCK-HNLRAMPDSA-N 0 3 395.344 3.588 20 5 GHBDHN COCCN1CCC[C@H]1CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000727826999 860281449 /nfs/dbraw/zinc/28/14/49/860281449.db2.gz PLFOUQOWHRVQNV-JTQLQIEISA-N 0 3 381.782 3.790 20 5 GHBDHN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000484745706 860317571 /nfs/dbraw/zinc/31/75/71/860317571.db2.gz YDUGJNZSFVIMSZ-LJQANCHMSA-N 0 3 392.477 3.506 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000192941352 860361850 /nfs/dbraw/zinc/36/18/50/860361850.db2.gz RNTKYIWDEDAOAX-LJQANCHMSA-N 0 3 385.464 3.725 20 5 GHBDHN C[C@@H]1Cc2cc(CNCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000922702416 860508540 /nfs/dbraw/zinc/50/85/40/860508540.db2.gz KSNBKMYEWNDSNM-CQSZACIVSA-N 0 3 378.432 3.609 20 5 GHBDHN C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C1(S(C)(=O)=O)CC1 ZINC000552334953 860511176 /nfs/dbraw/zinc/51/11/76/860511176.db2.gz DFRFPVKYSBBWPX-QWHCGFSZSA-N 0 3 394.518 3.940 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H](c2cccc(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000598998113 860717773 /nfs/dbraw/zinc/71/77/73/860717773.db2.gz NMQKJTGETDGUEI-OAQYLSRUSA-N 0 3 386.448 3.942 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000532234529 881588283 /nfs/dbraw/zinc/58/82/83/881588283.db2.gz JWFOAKIYLNYMAP-SVMVAKDDSA-N 0 3 383.492 3.843 20 5 GHBDHN CCC[C@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481326729 861068015 /nfs/dbraw/zinc/06/80/15/861068015.db2.gz ZFPSRVFOAUOCFM-FQEVSTJZSA-N 0 3 385.464 3.693 20 5 GHBDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000126536964 861071717 /nfs/dbraw/zinc/07/17/17/861071717.db2.gz KRKOZJYGIKLIQN-HOTGVXAUSA-N 0 3 382.464 3.873 20 5 GHBDHN CSc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000249112275 863144758 /nfs/dbraw/zinc/14/47/58/863144758.db2.gz CGUPRVJEROSHSK-RHSMWYFYSA-N 0 3 385.489 3.567 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)C[C@H]3c3cccc(F)c3)o2)c1 ZINC000281628733 863292664 /nfs/dbraw/zinc/29/26/64/863292664.db2.gz HZSVJBRRSHVDLI-OALUTQOASA-N 0 3 397.406 3.739 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1cccc(OC)c1 ZINC000025856658 864574350 /nfs/dbraw/zinc/57/43/50/864574350.db2.gz SABUAEDCFXSTQT-IBGZPJMESA-N 0 3 385.464 3.725 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000533973698 865205009 /nfs/dbraw/zinc/20/50/09/865205009.db2.gz SGBFQDVWKPVMKR-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736593303 865244183 /nfs/dbraw/zinc/24/41/83/865244183.db2.gz FBUSNMYTFWWDBA-WMLDXEAASA-N 0 3 381.411 3.828 20 5 GHBDHN Cn1cc(CN2CC[C@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186434357 865473017 /nfs/dbraw/zinc/47/30/17/865473017.db2.gz UVBQWYHIUINESA-JOCHJYFZSA-N 0 3 390.443 3.627 20 5 GHBDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000738055574 865488655 /nfs/dbraw/zinc/48/86/55/865488655.db2.gz KQKOJZJCHRGLQB-SJLPKXTDSA-N 0 3 377.448 3.997 20 5 GHBDHN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000248741584 865684429 /nfs/dbraw/zinc/68/44/29/865684429.db2.gz MAINIMDKQYZNOE-YRNRMSPPSA-N 0 3 383.448 3.679 20 5 GHBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000481035427 865725207 /nfs/dbraw/zinc/72/52/07/865725207.db2.gz LAUGTBSJULTCPH-UHFFFAOYSA-N 0 3 386.452 3.502 20 5 GHBDHN CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000555315203 865891436 /nfs/dbraw/zinc/89/14/36/865891436.db2.gz WLFXCCQRUYOHEP-DYESRHJHSA-N 0 3 381.476 3.821 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000740772173 866001520 /nfs/dbraw/zinc/00/15/20/866001520.db2.gz SBSKLZIAZCRUBW-INIZCTEOSA-N 0 3 384.505 3.888 20 5 GHBDHN CN(CCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Cc1ccccc1 ZINC000444830744 867308129 /nfs/dbraw/zinc/30/81/29/867308129.db2.gz YCJPPTCRJWKPCD-UHFFFAOYSA-N 0 3 399.494 3.933 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000429789831 867336285 /nfs/dbraw/zinc/33/62/85/867336285.db2.gz QXTAJHLFPXOOOH-JCGIZDLHSA-N 0 3 375.469 3.639 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000462435713 869454318 /nfs/dbraw/zinc/45/43/18/869454318.db2.gz JREMNALHDWHZTE-LJQANCHMSA-N 0 3 395.503 3.728 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000524864785 869689175 /nfs/dbraw/zinc/68/91/75/869689175.db2.gz GBUFCJPFPSRQQN-SFHVURJKSA-N 0 3 396.491 3.520 20 5 GHBDHN Cc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C)c1OC(F)F ZINC000539835914 869877460 /nfs/dbraw/zinc/87/74/60/869877460.db2.gz NOZYIOGPPBRYJE-HNNXBMFYSA-N 0 3 392.406 3.894 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000462922286 870454135 /nfs/dbraw/zinc/45/41/35/870454135.db2.gz BOYHVGRGYUENOR-NQIIRXRSSA-N 0 3 383.492 3.891 20 5 GHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001169024470 871124035 /nfs/dbraw/zinc/12/40/35/871124035.db2.gz HFVCUHVYCWDZGT-DENIHFKCSA-N 0 3 379.504 3.839 20 5 GHBDHN C[C@H](c1ccc(Br)cc1)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169056380 871137422 /nfs/dbraw/zinc/13/74/22/871137422.db2.gz SLUCERKQWRLLSL-VKJFTORMSA-N 0 3 396.329 3.573 20 5 GHBDHN COC[C@](C)(O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000069912117 871684967 /nfs/dbraw/zinc/68/49/67/871684967.db2.gz JXEYTRNRHNJUKC-GOSISDBHSA-N 0 3 380.828 3.528 20 5 GHBDHN CN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC001194477736 871738716 /nfs/dbraw/zinc/73/87/16/871738716.db2.gz PFTZOQNVKMJSNN-UHFFFAOYSA-N 0 3 382.302 3.808 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000182170646 871938933 /nfs/dbraw/zinc/93/89/33/871938933.db2.gz IUQOTOQZZYAOSV-LJQANCHMSA-N 0 3 378.428 3.714 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000478356592 872890415 /nfs/dbraw/zinc/89/04/15/872890415.db2.gz ONZOICXPYCRTGL-GFCCVEGCSA-N 0 3 386.345 3.694 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC001196124702 872910512 /nfs/dbraw/zinc/91/05/12/872910512.db2.gz OCGJOUCBMUGJJD-WBAXXEDZSA-N 0 3 389.496 3.946 20 5 GHBDHN C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001197005016 873523941 /nfs/dbraw/zinc/52/39/41/873523941.db2.gz WXIYNXJWQQODMI-IBGZPJMESA-N 0 3 393.846 3.646 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000541610576 873946748 /nfs/dbraw/zinc/94/67/48/873946748.db2.gz ORKXZIFRFQWWDU-ZMSDIMECSA-N 0 3 385.439 3.789 20 5 GHBDHN CC[S@](=O)CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000733900223 873983740 /nfs/dbraw/zinc/98/37/40/873983740.db2.gz LFRBRIKDYHWWSL-VWLOTQADSA-N 0 3 382.869 3.899 20 5 GHBDHN CC[C@@H](NCCOc1ccc(OC)cc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC001197959101 874140790 /nfs/dbraw/zinc/14/07/90/874140790.db2.gz KLJYQJWBEJASFN-MRXNPFEDSA-N 0 3 378.400 3.871 20 5 GHBDHN CCOC(=O)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000769939760 874378423 /nfs/dbraw/zinc/37/84/23/874378423.db2.gz RYAAWGRMIUAQBL-LBPRGKRZSA-N 0 3 393.827 3.829 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000449299544 874686730 /nfs/dbraw/zinc/68/67/30/874686730.db2.gz NGMSGVSHUVZCIW-WFASDCNBSA-N 0 3 384.354 3.748 20 5 GHBDHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000542070156 874865997 /nfs/dbraw/zinc/86/59/97/874865997.db2.gz XPCRAWKXYYHFRJ-OAHLLOKOSA-N 0 3 387.411 3.593 20 5 GHBDHN COc1cc(CNC[C@@H]2CCCC2(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000449495353 874952238 /nfs/dbraw/zinc/95/22/38/874952238.db2.gz OIAYHWTVTVXEIW-NSHDSACASA-N 0 3 380.338 3.772 20 5 GHBDHN COc1ccc(CN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](CO)C(C)C)cc1 ZINC000491367190 875620285 /nfs/dbraw/zinc/62/02/85/875620285.db2.gz LMSWCBMAANEBCR-HXUWFJFHSA-N 0 3 388.464 3.631 20 5 GHBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000537659254 883007236 /nfs/dbraw/zinc/00/72/36/883007236.db2.gz RSVXLVMKHZUDRR-HNNXBMFYSA-N 0 3 387.505 3.868 20 5 GHBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001129586004 883025410 /nfs/dbraw/zinc/02/54/10/883025410.db2.gz ZOCABDCCOHKUCP-UHFFFAOYSA-N 0 3 398.488 3.596 20 5 GHBDHN CC(C)(C)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000053617940 876613222 /nfs/dbraw/zinc/61/32/22/876613222.db2.gz QQZFHWPLPUTVHU-LJQANCHMSA-N 0 3 385.420 3.639 20 5 GHBDHN COc1cccc(NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c1[N+](=O)[O-] ZINC000450783834 876885522 /nfs/dbraw/zinc/88/55/22/876885522.db2.gz FJJPPSMYZZMTEY-UHFFFAOYSA-N 0 3 398.463 3.638 20 5 GHBDHN O=C(NC1CCCCC1)OC[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC001170062056 876885871 /nfs/dbraw/zinc/88/58/71/876885871.db2.gz JLKDIVOZZBSJST-IBGZPJMESA-N 0 3 375.469 3.661 20 5 GHBDHN O=C(N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1)C(F)(F)F ZINC000850443806 876927295 /nfs/dbraw/zinc/92/72/95/876927295.db2.gz UTUUVIFPERZNLU-KRWDZBQOSA-N 0 3 393.365 3.720 20 5 GHBDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000026466183 877389235 /nfs/dbraw/zinc/38/92/35/877389235.db2.gz ZTOAJNUQBARTBU-VXGBXAGGSA-N 0 3 384.274 3.806 20 5 GHBDHN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086380 878170586 /nfs/dbraw/zinc/17/05/86/878170586.db2.gz SBXIBKCTXIMORQ-YLJYHZDGSA-N 0 3 389.496 3.860 20 5 GHBDHN Cc1c(CNC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000616313011 878756873 /nfs/dbraw/zinc/75/68/73/878756873.db2.gz CFEPVKMLSALIED-KRWDZBQOSA-N 0 3 396.491 3.709 20 5 GHBDHN COc1ccc(CN2CCCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 ZINC000111107284 878825205 /nfs/dbraw/zinc/82/52/05/878825205.db2.gz UFNMOQQPLUDLCK-UHFFFAOYSA-N 0 3 398.488 3.925 20 5 GHBDHN Cc1c(CNC(=S)NC2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000790334183 879635482 /nfs/dbraw/zinc/63/54/82/879635482.db2.gz RZTARJIFOWEJEL-UHFFFAOYSA-N 0 3 398.532 3.532 20 5 GHBDHN CSc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000494039136 879874457 /nfs/dbraw/zinc/87/44/57/879874457.db2.gz RNSKGLGIUYWJLA-PBHICJAKSA-N 0 3 385.489 3.710 20 5 GHBDHN COc1cccc(CN(CCN(C)C)C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000791336746 880339711 /nfs/dbraw/zinc/33/97/11/880339711.db2.gz RWIZJOKWMXKHJO-SAPNQHFASA-N 0 3 397.475 3.597 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000609707556 883563623 /nfs/dbraw/zinc/56/36/23/883563623.db2.gz CUKQODIGMQTSNR-KVGCROTGSA-N 0 3 380.366 3.732 20 5 GHBDHN O=C(NCCN1CCCCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609780811 883674640 /nfs/dbraw/zinc/67/46/40/883674640.db2.gz DGVDDOCRHIIPLY-UHFFFAOYSA-N 0 3 384.436 3.995 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000194685140 884028817 /nfs/dbraw/zinc/02/88/17/884028817.db2.gz DDWRLVXVWWUNHJ-OAQYLSRUSA-N 0 3 396.491 3.882 20 5 GHBDHN Cc1nc2n(n1)C[C@@H](NCc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 ZINC000237711950 884805353 /nfs/dbraw/zinc/80/53/53/884805353.db2.gz FJHVDWWAENPZCU-INIZCTEOSA-N 0 3 397.410 3.531 20 5 GHBDHN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193352640 885668518 /nfs/dbraw/zinc/66/85/18/885668518.db2.gz ODVYHMBMBVHJHN-RNODOKPDSA-N 0 3 399.447 3.680 20 5 GHBDHN C[C@H]1[C@H](Cc2ccccc2)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747468785 886156102 /nfs/dbraw/zinc/15/61/02/886156102.db2.gz WOUFCAVBEFCWBJ-LPHOPBHVSA-N 0 3 377.448 3.764 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3COc4ccccc4[C@@H]3O)s2)cc1 ZINC000808452811 886365260 /nfs/dbraw/zinc/36/52/60/886365260.db2.gz RDUBOLCHYUWPHE-XLIONFOSSA-N 0 3 382.441 3.908 20 5 GHBDHN CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000794613211 887679331 /nfs/dbraw/zinc/67/93/31/887679331.db2.gz PBRBRWXZMVOHEX-RTBURBONSA-N 0 3 391.855 3.535 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000810046200 888093418 /nfs/dbraw/zinc/09/34/18/888093418.db2.gz IZFTUFLVLGNRLD-SFHVURJKSA-N 0 3 385.395 3.788 20 5 GHBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001170683354 890875063 /nfs/dbraw/zinc/87/50/63/890875063.db2.gz ZIIRMBXPXOSGQW-JTQLQIEISA-N 0 3 377.326 3.881 20 5 GHBDHN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813104977 891274527 /nfs/dbraw/zinc/27/45/27/891274527.db2.gz INIUHJFEABFAGI-SECBINFHSA-N 0 3 386.235 3.547 20 5 GHBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000813111959 891304879 /nfs/dbraw/zinc/30/48/79/891304879.db2.gz YFEWVVBELRUWEZ-GFCCVEGCSA-N 0 3 379.796 3.750 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194556841 893078193 /nfs/dbraw/zinc/07/81/93/893078193.db2.gz YROVFTOYBTXIFI-HNNXBMFYSA-N 0 3 386.452 3.555 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000536722924 893661019 /nfs/dbraw/zinc/66/10/19/893661019.db2.gz XEROOBPPDJGCIR-UHFFFAOYSA-N 0 3 397.475 3.729 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000054151603 893704890 /nfs/dbraw/zinc/70/48/90/893704890.db2.gz ICGUMWHDPJQUTL-LJQANCHMSA-N 0 3 389.427 3.555 20 5 GHBDHN C[C@@H](NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555879 893995168 /nfs/dbraw/zinc/99/51/68/893995168.db2.gz JNKHWWXAHSVBEA-BRWVUGGUSA-N 0 3 398.507 3.637 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1csc(SCCN(C)C)n1 ZINC001135313179 894372809 /nfs/dbraw/zinc/37/28/09/894372809.db2.gz XYRSGFJBTABACM-UHFFFAOYSA-N 0 3 394.522 3.503 20 5 GHBDHN Cc1ccc(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000816636273 895017576 /nfs/dbraw/zinc/01/75/76/895017576.db2.gz NKAHXJDWDHHKND-HDICACEKSA-N 0 3 389.496 3.982 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000565444621 895630318 /nfs/dbraw/zinc/63/03/18/895630318.db2.gz LBESVWDUGQEBIP-WMZOPIPTSA-N 0 3 382.464 3.996 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@H](O)c2ccc(F)cc2F)cc(C(F)(F)F)c1 ZINC000819266277 896553725 /nfs/dbraw/zinc/55/37/25/896553725.db2.gz BMGPJAGNTGJBBA-HNNXBMFYSA-N 0 3 376.281 3.715 20 5 GHBDHN CC1(C)C[C@@H](NCc2ccc(N3CCNC3=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000883287272 897447708 /nfs/dbraw/zinc/44/77/08/897447708.db2.gz QCDODCMLFLUXFP-LJQANCHMSA-N 0 3 380.448 3.637 20 5 GHBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000567915313 897486203 /nfs/dbraw/zinc/48/62/03/897486203.db2.gz NMCVTCYITUZUIP-YWZLYKJASA-N 0 3 398.482 3.824 20 5 GHBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000567915310 897486428 /nfs/dbraw/zinc/48/64/28/897486428.db2.gz NMCVTCYITUZUIP-FOIQADDNSA-N 0 3 398.482 3.824 20 5 GHBDHN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN(C)C)c2)cc1SC ZINC000102987821 898059214 /nfs/dbraw/zinc/05/92/14/898059214.db2.gz HMUYTWDWRVKBAJ-UHFFFAOYSA-N 0 3 375.450 3.639 20 5 GHBDHN Cn1cc([C@H](NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2cccc(F)c2)cn1 ZINC000569499302 898720833 /nfs/dbraw/zinc/72/08/33/898720833.db2.gz FXBGLAMDYLEIJK-OAQYLSRUSA-N 0 3 393.422 3.870 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000134110974 899587913 /nfs/dbraw/zinc/58/79/13/899587913.db2.gz SVCYLQXSXBGXPO-HOTGVXAUSA-N 0 3 393.484 3.599 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263322 900058259 /nfs/dbraw/zinc/05/82/59/900058259.db2.gz PZRRKGXJHNEXME-HOCLYGCPSA-N 0 3 393.484 3.777 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000574432291 900890612 /nfs/dbraw/zinc/89/06/12/900890612.db2.gz NLVLDZMZZUOSRZ-QJKHOBJASA-N 0 3 383.448 3.598 20 5 GHBDHN C[C@@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000290049182 914497864 /nfs/dbraw/zinc/49/78/64/914497864.db2.gz DHFUPMJBQQBLKD-QRWLVFNGSA-N 0 3 395.459 3.606 20 5 GHBDHN COC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000575090009 901116580 /nfs/dbraw/zinc/11/65/80/901116580.db2.gz ILEOLGLMCWAOMA-UGSOOPFHSA-N 0 3 391.855 3.943 20 5 GHBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000845669369 902322167 /nfs/dbraw/zinc/32/21/67/902322167.db2.gz TUSOBSADEKCGRK-HOTGVXAUSA-N 0 3 398.463 3.804 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577029556 902444250 /nfs/dbraw/zinc/44/42/50/902444250.db2.gz BMJIRSIJDHSVBL-MJGOQNOKSA-N 0 3 393.846 3.931 20 5 GHBDHN Cc1nn(C(F)F)c(C)c1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876903 902480824 /nfs/dbraw/zinc/48/08/24/902480824.db2.gz RABJTEDTHWKYKP-BZNIZROVSA-N 0 3 385.342 3.526 20 5 GHBDHN COc1cccc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1F ZINC000845879984 902483971 /nfs/dbraw/zinc/48/39/71/902483971.db2.gz JOCRXOKRJVMXJT-BUXKBTBVSA-N 0 3 379.359 3.856 20 5 GHBDHN CC([C@H](OC(=O)CCc1ncc(C(C)(C)C)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845882998 902487908 /nfs/dbraw/zinc/48/79/08/902487908.db2.gz QQWIHZHTENRGHY-SGTLLEGYSA-N 0 3 378.400 3.994 20 5 GHBDHN Cc1c(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000845884082 902489437 /nfs/dbraw/zinc/48/94/37/902489437.db2.gz XGUGOUREHGWELV-XIKOKIGWSA-N 0 3 376.340 3.535 20 5 GHBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000578670169 904037361 /nfs/dbraw/zinc/03/73/61/904037361.db2.gz NLJYLBRAPVFXIY-GOSISDBHSA-N 0 3 387.484 3.767 20 5 GHBDHN Cc1c(CN2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001171544809 904773641 /nfs/dbraw/zinc/77/36/41/904773641.db2.gz BLVXIPSGTSQHLK-GOSISDBHSA-N 0 3 399.466 3.961 20 5 GHBDHN COc1cc(CN[C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])cc1OC(F)F ZINC000801576306 921145304 /nfs/dbraw/zinc/14/53/04/921145304.db2.gz YFVVSCMKPPOLDU-AWEZNQCLSA-N 0 3 394.374 3.688 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175902701 905698816 /nfs/dbraw/zinc/69/88/16/905698816.db2.gz RFSRSUFJOPZICO-KRWDZBQOSA-N 0 3 396.491 3.962 20 5 GHBDHN COCC[C@@H]1CO[C@@]2(C1)CCCN([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172908994 905946812 /nfs/dbraw/zinc/94/68/12/905946812.db2.gz QHKJDJXPCQCSPW-RBDMOPTHSA-N 0 3 388.508 3.750 20 5 GHBDHN CC(C)(C)OC(=O)NCC1(C)CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913606 905984385 /nfs/dbraw/zinc/98/43/85/905984385.db2.gz SSOGGRMPDIWYAE-KRWDZBQOSA-N 0 3 389.496 3.689 20 5 GHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(CN(C)C)ccc2C)cc1OC ZINC000177361991 906115760 /nfs/dbraw/zinc/11/57/60/906115760.db2.gz BNABKNKJMAWAJZ-UHFFFAOYSA-N 0 3 387.436 3.624 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccc(F)c(OC)c2F)c1F ZINC001173189799 906270056 /nfs/dbraw/zinc/27/00/56/906270056.db2.gz RHDVWZBCUVEQLR-JTQLQIEISA-N 0 3 384.354 3.750 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001173227093 906308986 /nfs/dbraw/zinc/30/89/86/906308986.db2.gz NYUWMWMFBCGRNB-AWEZNQCLSA-N 0 3 375.469 3.515 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001173230718 906314720 /nfs/dbraw/zinc/31/47/20/906314720.db2.gz ZVGASETUJDARJD-HZPDHXFCSA-N 0 3 377.485 3.857 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192357469 907606221 /nfs/dbraw/zinc/60/62/21/907606221.db2.gz UPLMSSKBTLDKMH-LJQANCHMSA-N 0 3 389.883 3.629 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC001177459709 908578073 /nfs/dbraw/zinc/57/80/73/908578073.db2.gz XYSAJJGGHCKVAA-HNNXBMFYSA-N 0 3 398.381 3.760 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1C ZINC001178224306 908962813 /nfs/dbraw/zinc/96/28/13/908962813.db2.gz GPBRITRJGLEDTK-MLGOLLRUSA-N 0 3 389.839 3.863 20 5 GHBDHN C[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000270116394 910446877 /nfs/dbraw/zinc/44/68/77/910446877.db2.gz NSLXBNBBFHLCAU-SUMNFNSASA-N 0 3 398.488 3.584 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000274006005 911175135 /nfs/dbraw/zinc/17/51/35/911175135.db2.gz ZYGRIPGSDXVNLC-RDTXWAMCSA-N 0 3 387.386 3.630 20 5 GHBDHN CCOc1ccc([C@H](C)NCc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000293780711 916378523 /nfs/dbraw/zinc/37/85/23/916378523.db2.gz SXNFOEKWGUMGFE-INIZCTEOSA-N 0 3 385.464 3.681 20 5 GHBDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001191474261 918010555 /nfs/dbraw/zinc/01/05/55/918010555.db2.gz ICIAAAWMOFITEG-BLIXFSHQSA-N 0 3 379.460 3.653 20 5 GHBDHN COC[C@@H](O)CNCc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 ZINC000117946934 919575855 /nfs/dbraw/zinc/57/58/55/919575855.db2.gz JFRUAJOZXFNGRE-KRWDZBQOSA-N 0 3 388.464 3.916 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCOc3c(Br)cccc32)c1 ZINC000800396355 920024901 /nfs/dbraw/zinc/02/49/01/920024901.db2.gz WXALJQAKLZOYGH-HOTGVXAUSA-N 0 3 393.237 3.504 20 5 GHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000410053911 925282212 /nfs/dbraw/zinc/28/22/12/925282212.db2.gz OQICALSZXMHVSP-QGZVFWFLSA-N 0 3 387.505 3.859 20 5 GHBDHN CC(C)(C)[C@H](NCN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000726585979 926744547 /nfs/dbraw/zinc/74/45/47/926744547.db2.gz CXJWXXBXQRJCAA-LJQANCHMSA-N 0 3 396.447 3.698 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c2ccccc2)c1 ZINC000374792813 927528345 /nfs/dbraw/zinc/52/83/45/927528345.db2.gz LRVQPHACWYNXQY-NNWRFLSQSA-N 0 3 396.487 3.842 20 5 GHBDHN C/C(=C/C(=O)Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000752692833 928983585 /nfs/dbraw/zinc/98/35/85/928983585.db2.gz JDZRSCHNVFKHHN-PEZBUJJGSA-N 0 3 395.459 3.594 20 5 GHBDHN CC1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1Cc1ccccc1 ZINC000544410411 929142787 /nfs/dbraw/zinc/14/27/87/929142787.db2.gz NNQUIVHEKPMNGF-UHFFFAOYSA-N 0 3 377.448 3.639 20 5 GHBDHN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470113947 930384316 /nfs/dbraw/zinc/38/43/16/930384316.db2.gz JEFRUTBAHSTAHX-GOSISDBHSA-N 0 3 386.427 3.862 20 5 GHBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1OC ZINC000759599084 930420145 /nfs/dbraw/zinc/42/01/45/930420145.db2.gz DJBVHLAHYPAKTN-IUIKQTSFSA-N 0 3 383.876 3.759 20 5 GHBDHN C/C(=C\C(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000783993069 931743966 /nfs/dbraw/zinc/74/39/66/931743966.db2.gz DWBKENGLHZLLAR-JQIJEIRASA-N 0 3 385.439 3.728 20 5 GHBDHN CN1CCN(Cc2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)CC1 ZINC001115976428 933266321 /nfs/dbraw/zinc/26/63/21/933266321.db2.gz IKMYYVRDVRWVIC-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN CCc1ccc(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545476760 1015918801 /nfs/dbraw/zinc/91/88/01/1015918801.db2.gz HNGWSIZOACLDBI-FQEVSTJZSA-N 0 3 381.476 3.894 20 5 GHBDHN O=[N+]([O-])c1cc2c(cc1F)ncnc2OC1CCN(Cc2ccccc2)CC1 ZINC001226804009 1032135153 /nfs/dbraw/zinc/13/51/53/1032135153.db2.gz IXHFYJVCJVPUHJ-UHFFFAOYSA-N 0 3 382.395 3.721 20 5 GHBDHN COc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c2c([O-])c3c(=O)ccc(O)c-3oc2c1 ZINC001227645416 1032499849 /nfs/dbraw/zinc/49/98/49/1032499849.db2.gz HMDKEQVMMFNXNK-JOCQHMNTSA-N 0 3 399.443 3.618 20 5 GHBDHN COc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227645416 1032499853 /nfs/dbraw/zinc/49/98/53/1032499853.db2.gz HMDKEQVMMFNXNK-JOCQHMNTSA-N 0 3 399.443 3.618 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000562887409 1018757742 /nfs/dbraw/zinc/75/77/42/1018757742.db2.gz VOXWTNYRIDRBEO-FZKQIMNGSA-N 0 3 391.468 3.634 20 5 GHBDHN COc1cccc([C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000041595909 1019243290 /nfs/dbraw/zinc/24/32/90/1019243290.db2.gz UXUYETNDHKROHY-ZAGZISDZSA-N 0 3 395.459 3.570 20 5 GHBDHN CC[C@@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000834902864 1021652361 /nfs/dbraw/zinc/65/23/61/1021652361.db2.gz DLFUHVVNASJYAM-ZWKOTPCHSA-N 0 3 393.484 3.662 20 5 GHBDHN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754313970 1022608413 /nfs/dbraw/zinc/60/84/13/1022608413.db2.gz MAHJFUJHFOUOGD-KGLIPLIRSA-N 0 3 381.448 3.859 20 5 GHBDHN CCN1CCN(c2ccc(Nc3ncc(Cl)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC001161947851 1025509225 /nfs/dbraw/zinc/50/92/25/1025509225.db2.gz OKWMQPWBPITDJX-UHFFFAOYSA-N 0 3 375.860 3.837 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(N3CCSCC3)CCCCC2)c1 ZINC001162494331 1025770695 /nfs/dbraw/zinc/77/06/95/1025770695.db2.gz MDVGIBMARNNMSD-UHFFFAOYSA-N 0 3 393.509 3.545 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@H]3CCN3Cc3ccccc3)c2c1 ZINC001163763618 1026306586 /nfs/dbraw/zinc/30/65/86/1026306586.db2.gz BYZBZIXDXHAPIB-CQSZACIVSA-N 0 3 383.839 3.878 20 5 GHBDHN COc1cc(CNCCc2ccc([N+](=O)[O-])cc2)c(F)cc1Br ZINC001461172097 1069424700 /nfs/dbraw/zinc/42/47/00/1069424700.db2.gz UQLFRYJBUHYTDD-UHFFFAOYSA-N 0 3 383.217 3.837 20 5 GHBDHN CCOC(=O)C1CCN(Cc2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)CC1 ZINC001203575949 1027445732 /nfs/dbraw/zinc/44/57/32/1027445732.db2.gz LTELDHNQQQZHRJ-UHFFFAOYSA-N 0 3 384.436 3.509 20 5 GHBDHN O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c(Cl)cc1Cl ZINC001216310590 1029602313 /nfs/dbraw/zinc/60/23/13/1029602313.db2.gz ILAMTIVXVVGEGX-UHFFFAOYSA-N 0 3 392.202 3.659 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000842901613 1029671632 /nfs/dbraw/zinc/67/16/32/1029671632.db2.gz MSNFZGDOZBCWOV-HUUCEWRRSA-N 0 3 398.463 3.935 20 5 GHBDHN COC(=O)c1c(CO[C@@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001223293444 1030513332 /nfs/dbraw/zinc/51/33/32/1030513332.db2.gz QGFDJCGCDLWTRK-GOSISDBHSA-N 0 3 384.432 3.563 20 5 GHBDHN COc1ccc(C[C@](C)(CO)NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC001461734537 1069710265 /nfs/dbraw/zinc/71/02/65/1069710265.db2.gz FFHYBICUOSLBOJ-JOCHJYFZSA-N 0 3 396.443 3.947 20 5 GHBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCN(Cc3cccc(F)c3)C1)CC2 ZINC001152463795 1031251718 /nfs/dbraw/zinc/25/17/18/1031251718.db2.gz BXZCZTCIPGACGQ-SFHVURJKSA-N 0 3 397.450 3.844 20 5 GHBDHN COc1cc(CN[C@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461814466 1069765311 /nfs/dbraw/zinc/76/53/11/1069765311.db2.gz UZFMLGFXZMGOOC-MOPGFXCFSA-N 0 3 398.459 3.697 20 5 GHBDHN CN1CCC(Oc2c(Br)cc([N+](=O)[O-])cc2Br)CC1 ZINC001229474878 1033505816 /nfs/dbraw/zinc/50/58/16/1033505816.db2.gz CUNATXXBKNPFFJ-UHFFFAOYSA-N 0 3 394.063 3.593 20 5 GHBDHN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001230248121 1033961213 /nfs/dbraw/zinc/96/12/13/1033961213.db2.gz XNRAKIUQIDAZHQ-VFNWGFHPSA-N 0 3 383.448 3.843 20 5 GHBDHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(C)ccc([N+](=O)[O-])c3C)C2)nc1 ZINC001461883085 1069832785 /nfs/dbraw/zinc/83/27/85/1069832785.db2.gz WNAFLYHRBUIXFH-QGZVFWFLSA-N 0 3 382.464 3.766 20 5 GHBDHN COC(=O)C[C@@H](Cc1ccccc1)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001207738721 1034550649 /nfs/dbraw/zinc/55/06/49/1034550649.db2.gz JQJMZUDJYLQKHF-MRXNPFEDSA-N 0 3 396.365 3.878 20 5 GHBDHN COc1cccc(CN2CC[C@H](Nc3ccc4cccc([N+](=O)[O-])c4n3)C2)c1 ZINC001161187992 1035171912 /nfs/dbraw/zinc/17/19/12/1035171912.db2.gz ODZMSSOXSBIGDI-KRWDZBQOSA-N 0 3 378.432 3.838 20 5 GHBDHN Cc1cc(Cl)c([N+](=O)[O-])c(NCC2CCN(Cc3ccccn3)CC2)n1 ZINC001161242752 1035189770 /nfs/dbraw/zinc/18/97/70/1035189770.db2.gz FVOFMXOPNVKJES-UHFFFAOYSA-N 0 3 375.860 3.671 20 5 GHBDHN C[C@H](NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001248662893 1036038056 /nfs/dbraw/zinc/03/80/56/1036038056.db2.gz VRPHIQNIBVQGHN-MSOLQXFVSA-N 0 3 396.491 3.962 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccccc1I ZINC001254539620 1040310128 /nfs/dbraw/zinc/31/01/28/1040310128.db2.gz GCYSMUFBOHBYLL-LBPRGKRZSA-N 0 3 396.228 3.920 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001254553763 1040322684 /nfs/dbraw/zinc/32/26/84/1040322684.db2.gz YRFRYKDEUDVAHV-WBAXXEDZSA-N 0 3 375.469 3.610 20 5 GHBDHN CC(C)(C)OC(=O)Nc1cccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254588822 1040362528 /nfs/dbraw/zinc/36/25/28/1040362528.db2.gz IPUMEPVBTUKDMT-MRXNPFEDSA-N 0 3 384.436 3.594 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)cc1Br ZINC001462483795 1070292012 /nfs/dbraw/zinc/29/20/12/1070292012.db2.gz YHIRWWUVUZTTLL-STQMWFEESA-N 0 3 375.288 3.856 20 5 GHBDHN Cc1ccccc1[C@H]([C@@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N(C)C ZINC001307114836 1049083887 /nfs/dbraw/zinc/08/38/87/1049083887.db2.gz QEJKUVNPVOICGI-QRWLVFNGSA-N 0 3 394.475 3.858 20 5 GHBDHN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307607988 1049445997 /nfs/dbraw/zinc/44/59/97/1049445997.db2.gz FVZNQCUSVUNUNM-QFIPXVFZSA-N 0 3 394.475 3.784 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC001307743315 1049555583 /nfs/dbraw/zinc/55/55/83/1049555583.db2.gz DNHNLKVAIRQWAW-JCGIZDLHSA-N 0 3 375.469 3.639 20 5 GHBDHN CCN(Cc1ccc([N+](=O)[O-])cc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308157354 1049891261 /nfs/dbraw/zinc/89/12/61/1049891261.db2.gz MVQDUKBTBGTJEB-UHFFFAOYSA-N 0 3 393.484 3.825 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@@H](C(C)(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC001308802356 1050100531 /nfs/dbraw/zinc/10/05/31/1050100531.db2.gz LNEOFPZZFOKBLI-GDBMZVCRSA-N 0 3 378.469 3.793 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001310800433 1051599903 /nfs/dbraw/zinc/59/99/03/1051599903.db2.gz PNAZPXYPIMYMEE-OAHLLOKOSA-N 0 3 386.427 3.720 20 5 GHBDHN Cc1ccc(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001313155844 1052971622 /nfs/dbraw/zinc/97/16/22/1052971622.db2.gz LIBCUTMGKUGQMH-QGZVFWFLSA-N 0 3 390.871 3.659 20 5 GHBDHN CC(C)(C)OC(=O)N1CC2(C1)CCN(C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000848919066 1057421609 /nfs/dbraw/zinc/42/16/09/1057421609.db2.gz RMOZKYTYXPWZQA-SOFGYWHQSA-N 0 3 387.480 3.941 20 5 GHBDHN C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCC[C@@H](C)C1 ZINC001441362148 1058765295 /nfs/dbraw/zinc/76/52/95/1058765295.db2.gz PXVWQMAWJMXHLT-NXEZZACHSA-N 0 3 392.258 3.891 20 5 GHBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001448998164 1060313772 /nfs/dbraw/zinc/31/37/72/1060313772.db2.gz JVYNGZSAFGFMNR-LLVKDONJSA-N 0 3 392.258 3.891 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC001450127658 1060538431 /nfs/dbraw/zinc/53/84/31/1060538431.db2.gz KRYKINOETVSWKX-SFHVURJKSA-N 0 3 387.505 3.966 20 5 GHBDHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001455294291 1062094976 /nfs/dbraw/zinc/09/49/76/1062094976.db2.gz HRXLTOSYPAKGFG-SFHVURJKSA-N 0 3 385.439 3.861 20 5 GHBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001455763371 1062282873 /nfs/dbraw/zinc/28/28/73/1062282873.db2.gz GEMAFNNFQLUZPK-PKOBYXMFSA-N 0 3 394.475 3.516 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001435195239 1062377814 /nfs/dbraw/zinc/37/78/14/1062377814.db2.gz ONLIUTXIGKBHGQ-IFMALSPDSA-N 0 3 395.503 3.944 20 5 GHBDHN COc1ccc([C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])N(C)C)cc1OC ZINC001458054020 1063530401 /nfs/dbraw/zinc/53/04/01/1063530401.db2.gz JBGSPZHMJCKFNA-MRXNPFEDSA-N 0 3 379.844 3.980 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001464091983 1064815443 /nfs/dbraw/zinc/81/54/43/1064815443.db2.gz BWBFZYVHDOZONI-LEWJYISDSA-N 0 3 395.503 3.944 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCNCc2cnn(Cc3ccccc3Cl)c2)cc1 ZINC001200127358 1065286785 /nfs/dbraw/zinc/28/67/85/1065286785.db2.gz RMVDPWPXXRHKBX-UHFFFAOYSA-N 0 3 386.839 3.662 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc(OCC(F)(F)F)o1)c1ccccc1F)[N+](=O)[O-] ZINC000847737217 1065996433 /nfs/dbraw/zinc/99/64/33/1065996433.db2.gz LXECPNGFUOKQCJ-YMTOWFKASA-N 0 3 391.273 3.923 20 5 GHBDHN Cc1ccc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c(CN(C)C)c1 ZINC001353709333 1066189245 /nfs/dbraw/zinc/18/92/45/1066189245.db2.gz DJYJNHAZELNSNN-UHFFFAOYSA-N 0 3 378.432 3.953 20 5 GHBDHN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC001358470429 1067536657 /nfs/dbraw/zinc/53/66/57/1067536657.db2.gz LFNMJQUQMCIMAR-IBGZPJMESA-N 0 3 396.491 3.520 20 5 GHBDHN C[C@H](CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001468275952 1067664486 /nfs/dbraw/zinc/66/44/86/1067664486.db2.gz LOFKOEGZALYVBP-ZIFCJYIRSA-N 0 3 396.491 3.833 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001473451052 1073969137 /nfs/dbraw/zinc/96/91/37/1073969137.db2.gz CQLLSOGOPAIXMB-QWQRMKEZSA-N 0 3 393.484 3.727 20 5 GHBDHN COc1ccc([C@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CCN2)cc1 ZINC001473728776 1074112179 /nfs/dbraw/zinc/11/21/79/1074112179.db2.gz HOJPHUZVGLLZQC-GOSISDBHSA-N 0 3 395.381 3.769 20 5 GHBDHN Cc1c(CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001473849775 1074174383 /nfs/dbraw/zinc/17/43/83/1074174383.db2.gz KBXYBICMSCNGLR-HOCLYGCPSA-N 0 3 377.485 3.886 20 5 GHBDHN COc1cc(C[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC001473965588 1074220135 /nfs/dbraw/zinc/22/01/35/1074220135.db2.gz ALNKSHGMCXZSGJ-ZDUSSCGKSA-N 0 3 391.855 3.579 20 5 GHBDHN CN1CCCC(C)(C)[C@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474495732 1074432283 /nfs/dbraw/zinc/43/22/83/1074432283.db2.gz BTNZFCGJUNXEJL-GFCCVEGCSA-N 0 3 376.320 3.629 20 5 GHBDHN NC(=O)c1cccc(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180847113 837590550 /nfs/dbraw/zinc/59/05/50/837590550.db2.gz TUPKYZBHTOPIGW-NRFANRHFSA-N 0 3 375.428 3.615 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cc(F)ccc2Br)n1 ZINC000583673440 834858073 /nfs/dbraw/zinc/85/80/73/834858073.db2.gz KLKWLSRCQGZONY-CABCVRRESA-N 0 3 397.248 3.966 20 5 GHBDHN CC(C)c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000188073719 835359106 /nfs/dbraw/zinc/35/91/06/835359106.db2.gz IUSPQQSCUVGNNE-UHFFFAOYSA-N 0 3 398.463 3.839 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000065826890 835983474 /nfs/dbraw/zinc/98/34/74/835983474.db2.gz XLBLBZFDEVORQJ-GDBMZVCRSA-N 0 3 378.432 3.641 20 5 GHBDHN COc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000024340359 836315004 /nfs/dbraw/zinc/31/50/04/836315004.db2.gz UHVLFXXZXKSOGY-HNNXBMFYSA-N 0 3 387.465 3.562 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001125867319 838525420 /nfs/dbraw/zinc/52/54/20/838525420.db2.gz FJXLRCJILPWXAS-UHFFFAOYSA-N 0 3 393.846 3.900 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000121129298 838557238 /nfs/dbraw/zinc/55/72/38/838557238.db2.gz MMEWDYNLXMVUGF-LBPRGKRZSA-N 0 3 392.253 3.864 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(OCC(F)(F)F)c3)C2)nc1 ZINC000118866477 838735352 /nfs/dbraw/zinc/73/53/52/838735352.db2.gz WLKHPRRQSAVSLL-AWEZNQCLSA-N 0 3 396.369 3.617 20 5 GHBDHN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000471533901 838790017 /nfs/dbraw/zinc/79/00/17/838790017.db2.gz YOMXLFWCZUZOHN-JLTOFOAXSA-N 0 3 382.464 3.590 20 5 GHBDHN Cn1cc(CNCc2cccc3c2CCCN3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415030152 839088624 /nfs/dbraw/zinc/08/86/24/839088624.db2.gz FWNYWINBWNIRCV-UHFFFAOYSA-N 0 3 377.448 3.643 20 5 GHBDHN CS(=O)(=O)Nc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417340859 840750257 /nfs/dbraw/zinc/75/02/57/840750257.db2.gz MYIUUNAWIUJSSJ-LJQANCHMSA-N 0 3 389.477 3.524 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CS(=O)(=O)c3ccccc31)CCCC2 ZINC000417353084 840758470 /nfs/dbraw/zinc/75/84/70/840758470.db2.gz WKDHGFDKYLYWRG-DNVCBOLYSA-N 0 3 386.473 3.523 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@](C)(O)c3ccsc3)o2)c([N+](=O)[O-])c1 ZINC000124097463 840789240 /nfs/dbraw/zinc/78/92/40/840789240.db2.gz LZNDEIKUBTVQLV-LJQANCHMSA-N 0 3 388.445 3.922 20 5 GHBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302167903 861226210 /nfs/dbraw/zinc/22/62/10/861226210.db2.gz SIXALJSYTPEMMX-XJKSGUPXSA-N 0 3 395.385 3.899 20 5 GHBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)N1CCN(c2ccccc2)CC1 ZINC000603853726 861275492 /nfs/dbraw/zinc/27/54/92/861275492.db2.gz LCRGKUUZPIKISB-KRWDZBQOSA-N 0 3 391.475 3.766 20 5 GHBDHN CC1CCC(N2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC001126143346 842159472 /nfs/dbraw/zinc/15/94/72/842159472.db2.gz UPVXDZXEYJTNOM-UHFFFAOYSA-N 0 3 393.915 3.904 20 5 GHBDHN O=[N+]([O-])c1c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc2ncccc21 ZINC000302774179 861358935 /nfs/dbraw/zinc/35/89/35/861358935.db2.gz DMTADXBXYVYGPA-GOSISDBHSA-N 0 3 392.459 3.846 20 5 GHBDHN O=c1ccccn1C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000500486105 843522427 /nfs/dbraw/zinc/52/24/27/843522427.db2.gz SLQFHZLLTUUBHW-CRLZUZNUSA-N 0 3 375.428 3.801 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000513392807 845346690 /nfs/dbraw/zinc/34/66/90/845346690.db2.gz YCMDTAACORIOFV-WMZOPIPTSA-N 0 3 390.867 3.695 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000511072281 846299055 /nfs/dbraw/zinc/29/90/55/846299055.db2.gz DNDDMPBTXMWZBE-UHFFFAOYSA-N 0 3 393.443 3.792 20 5 GHBDHN CC[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000582099379 846353605 /nfs/dbraw/zinc/35/36/05/846353605.db2.gz GBLLLNMGNCHDCV-UZLBHIALSA-N 0 3 381.476 3.651 20 5 GHBDHN C[C@H](OC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511082797 846461388 /nfs/dbraw/zinc/46/13/88/846461388.db2.gz UTLBCNGATHAGNI-HNAYVOBHSA-N 0 3 392.883 3.861 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000555719918 861688236 /nfs/dbraw/zinc/68/82/36/861688236.db2.gz OWYKANQSFSKKNR-HRAATJIYSA-N 0 3 399.491 3.906 20 5 GHBDHN C[C@@H](C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000582460804 847309500 /nfs/dbraw/zinc/30/95/00/847309500.db2.gz HQQQHTXTPGJFEB-UTKZUKDTSA-N 0 3 381.476 3.821 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000511138596 847400182 /nfs/dbraw/zinc/40/01/82/847400182.db2.gz OFWNWQIBLWFELT-OAHLLOKOSA-N 0 3 399.274 3.816 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000127777966 847445482 /nfs/dbraw/zinc/44/54/82/847445482.db2.gz IUPBOXXYFXNPNO-UHFFFAOYSA-N 0 3 388.443 3.946 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H]2CCOC[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000277666937 847491690 /nfs/dbraw/zinc/49/16/90/847491690.db2.gz FXGNFQUDKLNGKW-OXFYSEKESA-N 0 3 383.448 3.598 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000016199633 847524227 /nfs/dbraw/zinc/52/42/27/847524227.db2.gz ZQXAQZAYNFFZID-UHFFFAOYSA-N 0 3 385.489 3.711 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273409 847577259 /nfs/dbraw/zinc/57/72/59/847577259.db2.gz WRKYVWJSZJUETN-IBGZPJMESA-N 0 3 389.839 3.936 20 5 GHBDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000604127797 861860893 /nfs/dbraw/zinc/86/08/93/861860893.db2.gz UFDULFKUPOGOEM-OAHLLOKOSA-N 0 3 388.443 3.568 20 5 GHBDHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000481625111 861886140 /nfs/dbraw/zinc/88/61/40/861886140.db2.gz DVNVNCYTDYEOJR-UHFFFAOYSA-N 0 3 396.491 3.994 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N(C)C1CCCCC1 ZINC000504899405 850403025 /nfs/dbraw/zinc/40/30/25/850403025.db2.gz GDQHNOQVXLOTAV-OAHLLOKOSA-N 0 3 379.526 3.846 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Cc1ccccc1 ZINC000027583614 850450119 /nfs/dbraw/zinc/45/01/19/850450119.db2.gz JEYWEXBIRWQUMN-QGZVFWFLSA-N 0 3 383.473 3.712 20 5 GHBDHN C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000519013703 850491427 /nfs/dbraw/zinc/49/14/27/850491427.db2.gz XRYUEZWFRLRGGS-MRXNPFEDSA-N 0 3 396.491 3.792 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000515479229 851077933 /nfs/dbraw/zinc/07/79/33/851077933.db2.gz CVDLZZDLAUPHJN-OAQYLSRUSA-N 0 3 395.459 3.526 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000054647184 851182666 /nfs/dbraw/zinc/18/26/66/851182666.db2.gz XCLVKTLXGWPBPS-GOSISDBHSA-N 0 3 390.509 3.581 20 5 GHBDHN COc1cc(CNCCc2ccccc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491025138 853403990 /nfs/dbraw/zinc/40/39/90/853403990.db2.gz VRELYOBAZVTPIK-UHFFFAOYSA-N 0 3 380.391 3.888 20 5 GHBDHN COc1ccc(C(=O)C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055900847 854233148 /nfs/dbraw/zinc/23/31/48/854233148.db2.gz DUNBXQYCXNNBEW-UHFFFAOYSA-N 0 3 398.459 3.967 20 5 GHBDHN COc1cccc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000894984947 854362572 /nfs/dbraw/zinc/36/25/72/854362572.db2.gz GVJXJGDORPMDLJ-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN C[C@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000543538606 862579443 /nfs/dbraw/zinc/57/94/43/862579443.db2.gz KNECMAAIABRHJE-HNNXBMFYSA-N 0 3 399.466 3.791 20 5 GHBDHN NC(=O)Cc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000589320763 854807999 /nfs/dbraw/zinc/80/79/99/854807999.db2.gz LVRQACFSTNUOLF-UHFFFAOYSA-N 0 3 381.457 3.641 20 5 GHBDHN C[C@@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153601479 855287018 /nfs/dbraw/zinc/28/70/18/855287018.db2.gz ZNUYUAJYKYKIHO-MLGOLLRUSA-N 0 3 384.354 3.704 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000018017090 855657100 /nfs/dbraw/zinc/65/71/00/855657100.db2.gz UBTXSQXDNRYANN-OAQYLSRUSA-N 0 3 396.491 3.764 20 5 GHBDHN C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000573047956 855704086 /nfs/dbraw/zinc/70/40/86/855704086.db2.gz GDVSEDKHDMOJHD-YWZLYKJASA-N 0 3 395.459 3.606 20 5 GHBDHN CNC(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000237223852 855940555 /nfs/dbraw/zinc/94/05/55/855940555.db2.gz CAAOBCLKXQMHRW-UHFFFAOYSA-N 0 3 381.457 3.973 20 5 GHBDHN C[C@H](C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001272892965 855991447 /nfs/dbraw/zinc/99/14/47/855991447.db2.gz UPNYGSFZGWEAOC-SJORKVTESA-N 0 3 399.466 3.818 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)n2)cc1 ZINC000280976525 862787315 /nfs/dbraw/zinc/78/73/15/862787315.db2.gz KYDOHSHDUHBOPE-KURKYZTESA-N 0 3 386.452 3.550 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@H](O)CCc1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000592133106 856679030 /nfs/dbraw/zinc/67/90/30/856679030.db2.gz SQOKFOOOWAANLY-YPAWHYETSA-N 0 3 398.503 3.694 20 5 GHBDHN COc1cc(CN2CC3(C[C@H]2C)CCOCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000592181493 856762888 /nfs/dbraw/zinc/76/28/88/856762888.db2.gz FRALAJBYMHKTAJ-GFCCVEGCSA-N 0 3 386.395 3.596 20 5 GHBDHN COc1cc(CN[C@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000592381032 856825762 /nfs/dbraw/zinc/82/57/62/856825762.db2.gz WVOYBRUFSCMLIU-ONGXEEELSA-N 0 3 380.388 3.528 20 5 GHBDHN CC1CCN([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000041299921 857198999 /nfs/dbraw/zinc/19/89/99/857198999.db2.gz SMYRDYGKMOGVNN-GOSISDBHSA-N 0 3 387.505 3.788 20 5 GHBDHN CN1CC[C@@H]2[C@H](CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301698043 857217295 /nfs/dbraw/zinc/21/72/95/857217295.db2.gz CBCMCTWVXOZTEX-RTBURBONSA-N 0 3 379.460 3.746 20 5 GHBDHN COc1ccc(F)cc1[C@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129773795 857250163 /nfs/dbraw/zinc/25/01/63/857250163.db2.gz YRILDGRWVAVQGZ-NSHDSACASA-N 0 3 379.363 3.561 20 5 GHBDHN COc1cc(CN(C[C@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000078515882 858072526 /nfs/dbraw/zinc/07/25/26/858072526.db2.gz WMHBZAMTRQJCJL-LBPRGKRZSA-N 0 3 388.411 3.720 20 5 GHBDHN COc1cc(CN[C@H](C)Cc2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594517589 858206788 /nfs/dbraw/zinc/20/67/88/858206788.db2.gz KJTKWXFUMRMZEC-GFCCVEGCSA-N 0 3 399.369 3.660 20 5 GHBDHN COc1cc(CNC[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594992179 858360959 /nfs/dbraw/zinc/36/09/59/858360959.db2.gz QCZZTPYDOIKTHA-ZDUSSCGKSA-N 0 3 398.328 3.925 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595256930 858456036 /nfs/dbraw/zinc/45/60/36/858456036.db2.gz FUEGBFWQZDOKHB-QGZVFWFLSA-N 0 3 387.461 3.620 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(OC)c1 ZINC000010917453 858517321 /nfs/dbraw/zinc/51/73/21/858517321.db2.gz AJQQETXOAVSKKV-HXUWFJFHSA-N 0 3 385.464 3.725 20 5 GHBDHN COc1cc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000522035595 858554171 /nfs/dbraw/zinc/55/41/71/858554171.db2.gz ALADUAZZEIYHKZ-VOBQZIQPSA-N 0 3 390.386 3.675 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000067724720 858679220 /nfs/dbraw/zinc/67/92/20/858679220.db2.gz YJEBFQVKDRXXBC-QGZVFWFLSA-N 0 3 376.482 3.539 20 5 GHBDHN COC(=O)c1ccc(CN[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c(Cl)c1 ZINC001170317901 881347950 /nfs/dbraw/zinc/34/79/50/881347950.db2.gz LVDZKKVVKKIGKV-LBPRGKRZSA-N 0 3 392.839 3.764 20 5 GHBDHN O=[N+]([O-])c1ccc(NCC2CCN(Cc3ccncc3)CC2)cc1OC(F)F ZINC000596441795 858898456 /nfs/dbraw/zinc/89/84/56/858898456.db2.gz QLOWEAYPHJPSQM-UHFFFAOYSA-N 0 3 392.406 3.915 20 5 GHBDHN COc1ccc(C[C@@H](C)N[C@@H]2CCOc3c(F)cc(F)cc32)c([N+](=O)[O-])c1 ZINC001170328010 881366112 /nfs/dbraw/zinc/36/61/12/881366112.db2.gz TVYMMKBFHJOGIP-PIGZYNQJSA-N 0 3 378.375 3.926 20 5 GHBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000025255448 859206123 /nfs/dbraw/zinc/20/61/23/859206123.db2.gz FNOXBFSCXRNQFI-UHFFFAOYSA-N 0 3 397.353 3.954 20 5 GHBDHN CCOC(=O)C1(C(C)C)CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354055 881395212 /nfs/dbraw/zinc/39/52/12/881395212.db2.gz HPFAGXIAXPQILB-MRXNPFEDSA-N 0 3 392.496 3.836 20 5 GHBDHN CC[C@@H]1CCCCN1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000499718489 859253415 /nfs/dbraw/zinc/25/34/15/859253415.db2.gz CFKMVUISCGICJA-GOSISDBHSA-N 0 3 391.515 3.535 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN(CCOCCO)C3CCC3)o2)c(Cl)c1 ZINC000597206580 859345608 /nfs/dbraw/zinc/34/56/08/859345608.db2.gz RTIDOMHWOJYSEA-UHFFFAOYSA-N 0 3 394.855 3.872 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000601620738 859382461 /nfs/dbraw/zinc/38/24/61/859382461.db2.gz KGMQMAODYBXRFL-UHFFFAOYSA-N 0 3 398.463 3.518 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117669179 859560819 /nfs/dbraw/zinc/56/08/19/859560819.db2.gz WCDRCGNDJYBMRP-UHFFFAOYSA-N 0 3 393.846 3.520 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(C[C@H]4CCCO4)CC3)o2)cc1 ZINC000611254025 859664905 /nfs/dbraw/zinc/66/49/05/859664905.db2.gz GUBIWCYRHZTIPN-LJQANCHMSA-N 0 3 385.464 3.542 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000466518024 859818623 /nfs/dbraw/zinc/81/86/23/859818623.db2.gz XZBNPJYVXQIMSV-FUHIMQAGSA-N 0 3 396.491 3.926 20 5 GHBDHN CCCc1noc([C@@H]2CCCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)n1 ZINC001170352043 881494439 /nfs/dbraw/zinc/49/44/39/881494439.db2.gz KGFAQPBXXQLKIR-GOEBONIOSA-N 0 3 388.468 3.750 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H](CO)C2)cc1 ZINC000154608705 860199163 /nfs/dbraw/zinc/19/91/63/860199163.db2.gz FBQIRBNLWUZGGS-KRWDZBQOSA-N 0 3 392.459 3.652 20 5 GHBDHN O=C1CCCN1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000093087954 860206549 /nfs/dbraw/zinc/20/65/49/860206549.db2.gz MTQBEUBHZKYAOO-UHFFFAOYSA-N 0 3 385.489 3.910 20 5 GHBDHN CCC[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481326731 861067570 /nfs/dbraw/zinc/06/75/70/861067570.db2.gz ZFPSRVFOAUOCFM-HXUWFJFHSA-N 0 3 385.464 3.693 20 5 GHBDHN COc1cc(CN[C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000185640843 861106415 /nfs/dbraw/zinc/10/64/15/861106415.db2.gz OSAUFYGVARLSTN-BXUZGUMPSA-N 0 3 394.374 3.859 20 5 GHBDHN CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184184531 864189303 /nfs/dbraw/zinc/18/93/03/864189303.db2.gz KNOMUNUUDWTLMC-SFHVURJKSA-N 0 3 392.459 3.813 20 5 GHBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000554849298 865038287 /nfs/dbraw/zinc/03/82/87/865038287.db2.gz XQRWKJCLIXNRCY-MRXNPFEDSA-N 0 3 398.381 3.528 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCCN(Cc4ccccc4)CC3)c2)cc1 ZINC000738025019 865472603 /nfs/dbraw/zinc/47/26/03/865472603.db2.gz XIWBHIBMYQYSNV-UHFFFAOYSA-N 0 3 391.475 3.624 20 5 GHBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000609018130 865924964 /nfs/dbraw/zinc/92/49/64/865924964.db2.gz QKMGLQWCBUEWDB-IBGZPJMESA-N 0 3 397.475 3.707 20 5 GHBDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000186501741 866015554 /nfs/dbraw/zinc/01/55/54/866015554.db2.gz LDYHBITZYVXLKF-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN Cn1nccc1[C@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000857061436 881976298 /nfs/dbraw/zinc/97/62/98/881976298.db2.gz QPYMPJUDGFLQRO-OAQYLSRUSA-N 0 3 396.447 3.534 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000456338876 866451868 /nfs/dbraw/zinc/45/18/68/866451868.db2.gz OJRBKMPNGBKPCM-MRXNPFEDSA-N 0 3 392.459 3.670 20 5 GHBDHN C[C@H](OC(=O)C1CCN(c2ccc(Cl)cc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000920268862 882003854 /nfs/dbraw/zinc/00/38/54/882003854.db2.gz RHCKXCSKLIYHKM-LRDDRELGSA-N 0 3 388.807 3.906 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOc3cccc4ccccc43)C2)nc1 ZINC000440482661 866919392 /nfs/dbraw/zinc/91/93/92/866919392.db2.gz BNWADTFXFBSUFE-KRWDZBQOSA-N 0 3 378.432 3.708 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000440484566 866961516 /nfs/dbraw/zinc/96/15/16/866961516.db2.gz GNOFBACEPGNEKX-AWEZNQCLSA-N 0 3 396.369 3.617 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c2cccnc21 ZINC000553394162 867313471 /nfs/dbraw/zinc/31/34/71/867313471.db2.gz HVXQLKKNTJHUTL-UHFFFAOYSA-N 0 3 380.423 3.994 20 5 GHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N1Cc2ccccc2C1 ZINC000479554193 868042962 /nfs/dbraw/zinc/04/29/62/868042962.db2.gz RSWABCFVDQDHIY-KRWDZBQOSA-N 0 3 385.489 3.598 20 5 GHBDHN C[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000121555150 868309560 /nfs/dbraw/zinc/30/95/60/868309560.db2.gz ITSZDBGXFSTMAZ-SFHVURJKSA-N 0 3 381.476 3.650 20 5 GHBDHN COc1ccc(NC(=O)CCN2Cc3ccccc3C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000535383327 868666460 /nfs/dbraw/zinc/66/64/60/868666460.db2.gz UZMHIXMVMYTZCP-UHFFFAOYSA-N 0 3 383.448 3.725 20 5 GHBDHN COc1ccc(OCCN2CCCC[C@H]2[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000744393979 868787949 /nfs/dbraw/zinc/78/79/49/868787949.db2.gz WHCQMAYYMPLAJS-RXVVDRJESA-N 0 3 386.448 3.570 20 5 GHBDHN CCCN(CCN1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000554151095 868801452 /nfs/dbraw/zinc/80/14/52/868801452.db2.gz BVLGJWAVEBVQPI-UHFFFAOYSA-N 0 3 386.399 3.536 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)N2CCCC2)cc1 ZINC000524268510 868818006 /nfs/dbraw/zinc/81/80/06/868818006.db2.gz NMQVYYDBBRGMEU-OAQYLSRUSA-N 0 3 392.459 3.951 20 5 GHBDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000183965718 868835947 /nfs/dbraw/zinc/83/59/47/868835947.db2.gz DPOFSEQMHUAUDD-CQSZACIVSA-N 0 3 391.418 3.567 20 5 GHBDHN CNc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000519936951 869371839 /nfs/dbraw/zinc/37/18/39/869371839.db2.gz CJBBSNWADHTXTO-HXUWFJFHSA-N 0 3 382.464 3.512 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000462634751 869802628 /nfs/dbraw/zinc/80/26/28/869802628.db2.gz BSECNCRMWRBNLA-SFHVURJKSA-N 0 3 387.480 3.655 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000462771527 870069325 /nfs/dbraw/zinc/06/93/25/870069325.db2.gz FPJYLTVLWIHTJW-UIFIKXQLSA-N 0 3 395.503 3.943 20 5 GHBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 ZINC001169024472 871126321 /nfs/dbraw/zinc/12/63/21/871126321.db2.gz HFVCUHVYCWDZGT-SIKLNZKXSA-N 0 3 379.504 3.839 20 5 GHBDHN COC(=O)c1ccc(OCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000540379283 871170336 /nfs/dbraw/zinc/17/03/36/871170336.db2.gz GISSBILZEVLBET-LBPRGKRZSA-N 0 3 378.812 3.764 20 5 GHBDHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000525779668 871423618 /nfs/dbraw/zinc/42/36/18/871423618.db2.gz OBZCPNJGVQYTPS-OAHLLOKOSA-N 0 3 387.402 3.608 20 5 GHBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(CC)CC ZINC001169569869 871644761 /nfs/dbraw/zinc/64/47/61/871644761.db2.gz VIHWGDSJEPWSSY-JKSUJKDBSA-N 0 3 383.876 3.760 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000540589171 871693185 /nfs/dbraw/zinc/69/31/85/871693185.db2.gz QFTLHPQVDGJSKK-NRFANRHFSA-N 0 3 383.448 3.981 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)c1 ZINC001194445220 871724102 /nfs/dbraw/zinc/72/41/02/871724102.db2.gz HFGDGNPEIIFFQV-UXHICEINSA-N 0 3 398.459 3.855 20 5 GHBDHN Cc1ccccc1[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000539357849 871754312 /nfs/dbraw/zinc/75/43/12/871754312.db2.gz KZNVHLKKFUFIOF-HXUWFJFHSA-N 0 3 399.447 3.947 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000130971246 872339745 /nfs/dbraw/zinc/33/97/45/872339745.db2.gz GBJAEIRSEMCTQL-KRWDZBQOSA-N 0 3 379.457 3.537 20 5 GHBDHN CC(C)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182449010 872351034 /nfs/dbraw/zinc/35/10/34/872351034.db2.gz KXZMRWHETSMNAB-AUUYWEPGSA-N 0 3 380.391 3.600 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@H](CO)[C@@H]2CCCO2)cc1 ZINC000447975515 872593107 /nfs/dbraw/zinc/59/31/07/872593107.db2.gz HEEKNNCUEVZCNJ-AEFFLSMTSA-N 0 3 392.839 3.670 20 5 GHBDHN COc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000619432134 872643774 /nfs/dbraw/zinc/64/37/74/872643774.db2.gz FSQZMUZLFBRJRH-GOSISDBHSA-N 0 3 398.459 3.651 20 5 GHBDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000619569588 872747219 /nfs/dbraw/zinc/74/72/19/872747219.db2.gz UTCYHWJFRNXJTC-YGBSJELFSA-N 0 3 390.480 3.613 20 5 GHBDHN CC[S@@](=O)CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000733900218 874010332 /nfs/dbraw/zinc/01/03/32/874010332.db2.gz LFRBRIKDYHWWSL-RUZDIDTESA-N 0 3 382.869 3.899 20 5 GHBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(CCCc2ccccc2)CC1 ZINC000804406518 882792124 /nfs/dbraw/zinc/79/21/24/882792124.db2.gz ZXNAIOBDIWJPAO-UHFFFAOYSA-N 0 3 381.476 3.942 20 5 GHBDHN Cc1cc(Br)ccc1CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000769831224 874313591 /nfs/dbraw/zinc/31/35/91/874313591.db2.gz GDEUQMQHOHXSNI-QGZVFWFLSA-N 0 3 379.254 3.831 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](CN1CCOCC1)c1ccccc1)CCC2 ZINC000192621286 882822015 /nfs/dbraw/zinc/82/20/15/882822015.db2.gz TXUUHFYOYWYZPF-FGZHOGPDSA-N 0 3 381.476 3.635 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000153065773 874995153 /nfs/dbraw/zinc/99/51/53/874995153.db2.gz PAZNSVZANNRXKC-WBMJQRKESA-N 0 3 384.354 3.704 20 5 GHBDHN CC(C)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000542252676 875226263 /nfs/dbraw/zinc/22/62/63/875226263.db2.gz FKKBVLNWHXNRLW-IFXJQAMLSA-N 0 3 378.856 3.975 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)C3CCC3)o2)c(Br)c1 ZINC000449738308 875324775 /nfs/dbraw/zinc/32/47/75/875324775.db2.gz AXSQAHORRJGSAN-INIZCTEOSA-N 0 3 395.253 3.868 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428531432 882924437 /nfs/dbraw/zinc/92/44/37/882924437.db2.gz DCRNTWIAPSPYAP-JYRVWZFOSA-N 0 3 394.880 3.845 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000428531434 882924970 /nfs/dbraw/zinc/92/49/70/882924970.db2.gz DCRNTWIAPSPYAP-MDWZMJQESA-N 0 3 394.880 3.845 20 5 GHBDHN Cc1ccc(CNC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001200902963 875410983 /nfs/dbraw/zinc/41/09/83/875410983.db2.gz YTQZQYOJNYVTSH-WMLDXEAASA-N 0 3 393.484 3.753 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000785521326 876085776 /nfs/dbraw/zinc/08/57/76/876085776.db2.gz IWDAVOCTOWZRHQ-ZDUSSCGKSA-N 0 3 389.374 3.713 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450425363 876390550 /nfs/dbraw/zinc/39/05/50/876390550.db2.gz NHIYJZQZMNFTKP-CYBMUJFWSA-N 0 3 395.381 3.864 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000551541232 877370468 /nfs/dbraw/zinc/37/04/68/877370468.db2.gz VWDAGHOUJHKTDD-IBGZPJMESA-N 0 3 385.464 3.760 20 5 GHBDHN Cc1c(Br)cncc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000851107761 877413984 /nfs/dbraw/zinc/41/39/84/877413984.db2.gz ALEWLSLVDQQYFA-BMIGLBTASA-N 0 3 397.200 3.855 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451334255 877820492 /nfs/dbraw/zinc/82/04/92/877820492.db2.gz SJNZDXTYFIKMED-SFHVURJKSA-N 0 3 391.855 3.551 20 5 GHBDHN CC1(C(=O)OCCOc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1 ZINC000772719857 878089463 /nfs/dbraw/zinc/08/94/63/878089463.db2.gz XHQSHXIPGRKMDC-UHFFFAOYSA-N 0 3 398.459 3.819 20 5 GHBDHN CC(C)(C)OC(=O)CC1(NCc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000852180175 878122988 /nfs/dbraw/zinc/12/29/88/878122988.db2.gz IVVVMIFDGSSZHF-UHFFFAOYSA-N 0 3 384.860 3.619 20 5 GHBDHN COc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1Br ZINC000788583488 878186080 /nfs/dbraw/zinc/18/60/80/878186080.db2.gz KYHLPAORHPYKPG-SNVBAGLBSA-N 0 3 380.242 3.799 20 5 GHBDHN C[C@@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788593823 878192360 /nfs/dbraw/zinc/19/23/60/878192360.db2.gz RWMZOSOFZIPOIY-OAHLLOKOSA-N 0 3 385.464 3.723 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000776582260 878198863 /nfs/dbraw/zinc/19/88/63/878198863.db2.gz NLVIBLOJWFPXAL-PMACEKPBSA-N 0 3 390.867 3.727 20 5 GHBDHN COc1ccc(OC)c(CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)c1 ZINC000776585820 878233672 /nfs/dbraw/zinc/23/36/72/878233672.db2.gz ABRMLKKTJLNTFK-LJQANCHMSA-N 0 3 388.464 3.946 20 5 GHBDHN Cc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 ZINC000788761292 878297861 /nfs/dbraw/zinc/29/78/61/878297861.db2.gz YGSQFJIVGDTELW-GFCCVEGCSA-N 0 3 386.843 3.570 20 5 GHBDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000152509369 879342551 /nfs/dbraw/zinc/34/25/51/879342551.db2.gz GJKFHXLBRVDPGI-XIKOKIGWSA-N 0 3 380.441 3.728 20 5 GHBDHN CC(=O)N1CC[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000152872232 879841796 /nfs/dbraw/zinc/84/17/96/879841796.db2.gz GLMPYYMWAZBKFM-OAHLLOKOSA-N 0 3 389.839 3.751 20 5 GHBDHN CO[C@@]1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000461433213 879848653 /nfs/dbraw/zinc/84/86/53/879848653.db2.gz WAACDZNGEHDIPW-LJQANCHMSA-N 0 3 392.839 3.936 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494060060 879866485 /nfs/dbraw/zinc/86/64/85/879866485.db2.gz KVGDRXZZWCQSDU-BEFAXECRSA-N 0 3 394.475 3.562 20 5 GHBDHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130263685 880731588 /nfs/dbraw/zinc/73/15/88/880731588.db2.gz FXSOJIXFYOYWMP-GOSISDBHSA-N 0 3 397.450 3.531 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CN1C1CC1 ZINC000152984483 881287269 /nfs/dbraw/zinc/28/72/69/881287269.db2.gz HATXLMADIORIGG-KBPBESRZSA-N 0 3 389.521 3.985 20 5 GHBDHN CN(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000806253572 884505092 /nfs/dbraw/zinc/50/50/92/884505092.db2.gz SHVGOXKHUPMQJW-OAHLLOKOSA-N 0 3 380.807 3.812 20 5 GHBDHN CC(C)(C)c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000428548512 884578387 /nfs/dbraw/zinc/57/83/87/884578387.db2.gz OQJDAOYUPAPHCM-GOSISDBHSA-N 0 3 397.475 3.711 20 5 GHBDHN Cc1c([C@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000532498303 885872445 /nfs/dbraw/zinc/87/24/45/885872445.db2.gz YMNZZDLWMAWORB-GHTZIAJQSA-N 0 3 382.508 3.543 20 5 GHBDHN O=C(c1cccc([N+](=O)[O-])c1Cl)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000862037995 886072076 /nfs/dbraw/zinc/07/20/76/886072076.db2.gz QLPYJZGLVINUDP-MAUKXSAKSA-N 0 3 385.851 3.595 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000498936444 886138912 /nfs/dbraw/zinc/13/89/12/886138912.db2.gz HIZBHJYPEYRQFX-MRXNPFEDSA-N 0 3 382.464 3.686 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000032399876 886274789 /nfs/dbraw/zinc/27/47/89/886274789.db2.gz LVTGVLOOQASFQB-INIZCTEOSA-N 0 3 399.516 3.640 20 5 GHBDHN O=C(NCCCN1CCc2ccccc2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915307554 886296612 /nfs/dbraw/zinc/29/66/12/886296612.db2.gz JRCZHLPOAHQOQQ-UHFFFAOYSA-N 0 3 388.855 3.818 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000193580892 886855790 /nfs/dbraw/zinc/85/57/90/886855790.db2.gz DOGOQKKAHBZMMS-LJQANCHMSA-N 0 3 382.464 3.573 20 5 GHBDHN C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H](c1ccccc1)N(C)C ZINC000508883057 887091437 /nfs/dbraw/zinc/09/14/37/887091437.db2.gz SUJUATMBXDUCTL-HRAATJIYSA-N 0 3 396.491 3.960 20 5 GHBDHN COc1ccc(C[C@H](C)CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000153261566 887237053 /nfs/dbraw/zinc/23/70/53/887237053.db2.gz LHLOFYWVRGAWIB-HNNXBMFYSA-N 0 3 386.448 3.781 20 5 GHBDHN COc1ccc(OC)c([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000194365077 888271382 /nfs/dbraw/zinc/27/13/82/888271382.db2.gz IGCAMKNGIUKIRE-AWEZNQCLSA-N 0 3 387.436 3.600 20 5 GHBDHN C[C@@H](c1ccncc1)N1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488089194 888834447 /nfs/dbraw/zinc/83/44/47/888834447.db2.gz MSHLWYSHSFIRSD-HNNXBMFYSA-N 0 3 377.448 3.597 20 5 GHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000812840271 891029106 /nfs/dbraw/zinc/02/91/06/891029106.db2.gz GZBDZXNDQLHGPT-WKCGWZECSA-N 0 3 377.441 3.655 20 5 GHBDHN COC(=O)/C=C/c1ccc(NC[C@@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000917090522 891088864 /nfs/dbraw/zinc/08/88/64/891088864.db2.gz WEXBKZANKAUSTR-RXERPNITSA-N 0 3 387.411 3.635 20 5 GHBDHN CC(COC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)[N+](=O)[O-] ZINC000813106434 891302735 /nfs/dbraw/zinc/30/27/35/891302735.db2.gz CUAFCZLLVBGYEN-LLVKDONJSA-N 0 3 387.779 3.879 20 5 GHBDHN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111927 891304994 /nfs/dbraw/zinc/30/49/94/891304994.db2.gz XUZLPNNQCREEBF-CQSZACIVSA-N 0 3 388.445 3.548 20 5 GHBDHN COc1ccc(-c2ccc(CNCCC(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237425744 891700859 /nfs/dbraw/zinc/70/08/59/891700859.db2.gz QBZAXEBOGUNMRS-UHFFFAOYSA-N 0 3 395.415 3.982 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000814643324 893033196 /nfs/dbraw/zinc/03/31/96/893033196.db2.gz OUDPBPBJFAILCZ-UHFFFAOYSA-N 0 3 375.469 3.818 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000459683422 894003948 /nfs/dbraw/zinc/00/39/48/894003948.db2.gz AYTWKQKNUGMZLG-AWEZNQCLSA-N 0 3 387.436 3.600 20 5 GHBDHN C[C@@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597976 894035354 /nfs/dbraw/zinc/03/53/54/894035354.db2.gz JXMOXPZKUHWXEN-OAHLLOKOSA-N 0 3 385.464 3.723 20 5 GHBDHN CCCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000878125349 894037037 /nfs/dbraw/zinc/03/70/37/894037037.db2.gz LATDTRMYXGGIFD-QGTPRVQTSA-N 0 3 386.452 3.670 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000537074470 894296519 /nfs/dbraw/zinc/29/65/19/894296519.db2.gz ITQGSYWGHHUZFH-ABAIWWIYSA-N 0 3 385.247 3.992 20 5 GHBDHN CN(C)CCN(C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000460062522 894615671 /nfs/dbraw/zinc/61/56/71/894615671.db2.gz MRXUKTIYPHKNBG-UHFFFAOYSA-N 0 3 381.354 3.822 20 5 GHBDHN CC[C@@H](c1ccccc1)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001185528560 913941503 /nfs/dbraw/zinc/94/15/03/913941503.db2.gz ZYOWXBGOXFHEDD-FQEVSTJZSA-N 0 3 377.448 3.811 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000817287371 895442532 /nfs/dbraw/zinc/44/25/32/895442532.db2.gz SJGBYYMRPRSWCC-UHFFFAOYSA-N 0 3 375.469 3.613 20 5 GHBDHN C[C@@H]1C[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CN1Cc1ccccc1 ZINC001185743989 914056996 /nfs/dbraw/zinc/05/69/96/914056996.db2.gz AJVIZVLXZISKRR-NVXWUHKLSA-N 0 3 392.459 3.522 20 5 GHBDHN Cc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000819147613 896403464 /nfs/dbraw/zinc/40/34/64/896403464.db2.gz TVSBLCLJVZHQNW-INIZCTEOSA-N 0 3 384.354 3.668 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000041800412 896764686 /nfs/dbraw/zinc/76/46/86/896764686.db2.gz IYOSTGBMKJBHQF-LJQANCHMSA-N 0 3 387.505 3.912 20 5 GHBDHN COc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)c([N+](=O)[O-])cc1OC ZINC000819922835 897052016 /nfs/dbraw/zinc/05/20/16/897052016.db2.gz MLVHHRJHVFXRAV-CQSZACIVSA-N 0 3 386.452 3.645 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCCc2sc(Cl)cc21 ZINC000569450287 898677254 /nfs/dbraw/zinc/67/72/54/898677254.db2.gz XXMQYJUSFDMURK-YPMHNXCESA-N 0 3 382.869 3.717 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000134110777 899588220 /nfs/dbraw/zinc/58/82/20/899588220.db2.gz SVCYLQXSXBGXPO-HZPDHXFCSA-N 0 3 393.484 3.599 20 5 GHBDHN C[C@@H]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001137043281 900190579 /nfs/dbraw/zinc/19/05/79/900190579.db2.gz PMWIQDPKTRSHSS-QGZVFWFLSA-N 0 3 399.466 3.790 20 5 GHBDHN Cc1c(CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000576578015 902106929 /nfs/dbraw/zinc/10/69/29/902106929.db2.gz AARHPNUHPSBCLJ-RDTXWAMCSA-N 0 3 378.856 3.785 20 5 GHBDHN CCOC(=O)Nc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872372 902473578 /nfs/dbraw/zinc/47/35/78/902473578.db2.gz HOQXYMBKVZAERR-YVEFUNNKSA-N 0 3 390.367 3.957 20 5 GHBDHN COc1ccc(O[C@H](C)C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845873383 902475113 /nfs/dbraw/zinc/47/51/13/902475113.db2.gz CXDSMZLYOHNJLC-SNUQEOBHSA-N 0 3 377.368 3.551 20 5 GHBDHN COc1cccc2c1OCC(C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-])=C2 ZINC000845874616 902476716 /nfs/dbraw/zinc/47/67/16/902476716.db2.gz IWNSXLOELJPUEM-KPZWWZAWSA-N 0 3 387.363 3.560 20 5 GHBDHN CC([C@H](OC(=O)CCC(=O)c1ccc(Cl)cn1)c1ccccc1F)[N+](=O)[O-] ZINC000845875981 902479567 /nfs/dbraw/zinc/47/95/67/902479567.db2.gz MJBWLAJBOJYCRM-ZMZPIMSZSA-N 0 3 394.786 3.787 20 5 GHBDHN CC1=NN(c2ccc(C(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])cc2)CC1 ZINC000845874990 902479597 /nfs/dbraw/zinc/47/95/97/902479597.db2.gz KLRXODFXHZDPGA-IFXJQAMLSA-N 0 3 385.395 3.975 20 5 GHBDHN COc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)c1OC ZINC000845878606 902482404 /nfs/dbraw/zinc/48/24/04/902482404.db2.gz HLSMQXNNNWAPKC-SGTLLEGYSA-N 0 3 377.368 3.715 20 5 GHBDHN CC([C@@H](OC(=O)c1cccc2c1OCCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882339 902486589 /nfs/dbraw/zinc/48/65/89/902486589.db2.gz SSCPGKJTDPZEAG-SJKOYZFVSA-N 0 3 375.352 3.550 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)Cc1cnc2ccccc2n1)c1ccccc1F)[N+](=O)[O-] ZINC000845882365 902486654 /nfs/dbraw/zinc/48/66/54/902486654.db2.gz ONSXJIGAGKTSJG-JZKQVHKSSA-N 0 3 397.406 3.897 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000127482570 902490240 /nfs/dbraw/zinc/49/02/40/902490240.db2.gz RVNNGQPFOSBAKQ-UHFFFAOYSA-N 0 3 381.476 3.650 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1Cl ZINC000846175726 902761332 /nfs/dbraw/zinc/76/13/32/902761332.db2.gz BANAKKXMBRMXQR-UHFFFAOYSA-N 0 3 390.871 3.546 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000132026617 903196820 /nfs/dbraw/zinc/19/68/20/903196820.db2.gz GRIDPMWMEPOURJ-GFCCVEGCSA-N 0 3 391.447 3.673 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCO[C@]4(CCSC4)C3)cs2)c1 ZINC000151332809 904106854 /nfs/dbraw/zinc/10/68/54/904106854.db2.gz LGLLSEZYUVORIH-KBXCAEBGSA-N 0 3 391.518 3.863 20 5 GHBDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000152791868 904301388 /nfs/dbraw/zinc/30/13/88/904301388.db2.gz JYFMUXGZYICHQT-SFTDATJTSA-N 0 3 393.483 3.698 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccccc3Cl)C2)cc1 ZINC000579463952 904628256 /nfs/dbraw/zinc/62/82/56/904628256.db2.gz SUOPLACAIFUOJQ-HDJSIYSDSA-N 0 3 394.880 3.558 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000801551131 921124668 /nfs/dbraw/zinc/12/46/68/921124668.db2.gz OFTADANDTRZHOY-INIZCTEOSA-N 0 3 381.448 3.907 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NCc1ncc(Br)s1)CC2 ZINC001172905873 905930575 /nfs/dbraw/zinc/93/05/75/905930575.db2.gz LFBOFJMPFCPQGV-LBPRGKRZSA-N 0 3 382.283 3.851 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(c3cc(Cl)ccn3)CC1)CC2 ZINC001172915520 905986872 /nfs/dbraw/zinc/98/68/72/905986872.db2.gz NVAJLJQMNDWTSN-GOSISDBHSA-N 0 3 386.883 3.713 20 5 GHBDHN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190788141 906314690 /nfs/dbraw/zinc/31/46/90/906314690.db2.gz LKSVRKSOHIQAFK-UHFFFAOYSA-N 0 3 396.491 3.615 20 5 GHBDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180652481 906811115 /nfs/dbraw/zinc/81/11/15/906811115.db2.gz PCMANYSWEVWMOE-OXQOHEQNSA-N 0 3 396.447 3.534 20 5 GHBDHN O=C1CCCN1Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192708682 908816700 /nfs/dbraw/zinc/81/67/00/908816700.db2.gz MAPQDHYIYAECNJ-NRFANRHFSA-N 0 3 379.460 3.884 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001179682060 909668874 /nfs/dbraw/zinc/66/88/74/909668874.db2.gz WTQWOEFWRHWZPC-QGZVFWFLSA-N 0 3 377.485 3.947 20 5 GHBDHN COc1c(O)ccc(CN(Cc2ccccc2)CC2CCOCC2)c1[N+](=O)[O-] ZINC001180228788 910026070 /nfs/dbraw/zinc/02/60/70/910026070.db2.gz BHMSTSAVSJNIQU-UHFFFAOYSA-N 0 3 386.448 3.738 20 5 GHBDHN COc1c([O-])ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1[N+](=O)[O-] ZINC001180228788 910026087 /nfs/dbraw/zinc/02/60/87/910026087.db2.gz BHMSTSAVSJNIQU-UHFFFAOYSA-N 0 3 386.448 3.738 20 5 GHBDHN COc1c([O-])ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1[N+](=O)[O-] ZINC001180228788 910026107 /nfs/dbraw/zinc/02/61/07/910026107.db2.gz BHMSTSAVSJNIQU-UHFFFAOYSA-N 0 3 386.448 3.738 20 5 GHBDHN O=C(CCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303777151 915114373 /nfs/dbraw/zinc/11/43/73/915114373.db2.gz RTUKDAQQUFWRNS-MRXNPFEDSA-N 0 3 399.422 3.657 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCC[S@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116920385 919524441 /nfs/dbraw/zinc/52/44/41/919524441.db2.gz OEWALRDSBDSLPH-HHHXNRCGSA-N 0 3 389.521 4.000 20 5 GHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000410046633 925271685 /nfs/dbraw/zinc/27/16/85/925271685.db2.gz DEOWFXCEXADXLK-HXUWFJFHSA-N 0 3 381.476 3.798 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000751383061 928164413 /nfs/dbraw/zinc/16/44/13/928164413.db2.gz XTRNYGUFRJQSEU-QINSGFPZSA-N 0 3 381.476 3.631 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000543875969 928524592 /nfs/dbraw/zinc/52/45/92/928524592.db2.gz NLUWSNUGGXMBMU-INIZCTEOSA-N 0 3 375.450 3.692 20 5 GHBDHN CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757111460 929650216 /nfs/dbraw/zinc/65/02/16/929650216.db2.gz QQSKKNRYSQFXKG-QAPCUYQASA-N 0 3 393.484 3.599 20 5 GHBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1OC ZINC000759599086 930420435 /nfs/dbraw/zinc/42/04/35/930420435.db2.gz DJBVHLAHYPAKTN-LYRGGWFBSA-N 0 3 383.876 3.759 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000470168370 930425850 /nfs/dbraw/zinc/42/58/50/930425850.db2.gz ZWFIVWSFLCGBQY-HXUWFJFHSA-N 0 3 387.455 3.549 20 5 GHBDHN COc1ccc(NC(=O)CCN(C)Cc2ccccc2SC)c([N+](=O)[O-])c1 ZINC000471012032 931093413 /nfs/dbraw/zinc/09/34/13/931093413.db2.gz LOVNIAGDAAILJC-UHFFFAOYSA-N 0 3 389.477 3.786 20 5 GHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116170620 933378848 /nfs/dbraw/zinc/37/88/48/933378848.db2.gz AJZQSSSMHTVJAP-KRWDZBQOSA-N 0 3 386.477 3.519 20 5 GHBDHN COc1ccc([C@H]2CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)C2)cc1 ZINC000777955910 934384214 /nfs/dbraw/zinc/38/42/14/934384214.db2.gz BVDXTFKYCZUCDU-SFHVURJKSA-N 0 3 378.432 3.914 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001124546655 935410700 /nfs/dbraw/zinc/41/07/00/935410700.db2.gz UWVJDMHJBTUDJB-UHFFFAOYSA-N 0 3 389.883 3.771 20 5 GHBDHN CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575639448 950869316 /nfs/dbraw/zinc/86/93/16/950869316.db2.gz BOAZXZBGFABPQZ-QGZVFWFLSA-N 0 3 378.436 3.543 20 5 GHBDHN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575639448 950869339 /nfs/dbraw/zinc/86/93/39/950869339.db2.gz BOAZXZBGFABPQZ-QGZVFWFLSA-N 0 3 378.436 3.543 20 5 GHBDHN CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575639448 950869358 /nfs/dbraw/zinc/86/93/58/950869358.db2.gz BOAZXZBGFABPQZ-QGZVFWFLSA-N 0 3 378.436 3.543 20 5 GHBDHN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575639448 950869375 /nfs/dbraw/zinc/86/93/75/950869375.db2.gz BOAZXZBGFABPQZ-QGZVFWFLSA-N 0 3 378.436 3.543 20 5 GHBDHN CO[C@@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000468597983 1015832618 /nfs/dbraw/zinc/83/26/18/1015832618.db2.gz QOGOGDSVAHXBSV-ZDUSSCGKSA-N 0 3 375.372 3.775 20 5 GHBDHN CC[C@@H](Cc1ccccc1)N(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000469117606 1016512783 /nfs/dbraw/zinc/51/27/83/1016512783.db2.gz YCFBFJAHWLSODN-KRWDZBQOSA-N 0 3 385.464 3.885 20 5 GHBDHN Cc1nc(Cl)nc(O[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC001227338063 1032380428 /nfs/dbraw/zinc/38/04/28/1032380428.db2.gz IXSIQPQJIKNKLX-IUODEOHRSA-N 0 3 376.844 3.636 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])c1 ZINC000931319101 1017956614 /nfs/dbraw/zinc/95/66/14/1017956614.db2.gz AIWKUYBLQHCOGA-IBHIWXBSSA-N 0 3 387.411 3.635 20 5 GHBDHN COc1ccc(CN2CCCC[C@H]2CN(C)c2ncc(F)cc2[N+](=O)[O-])cc1 ZINC001156293832 1032962567 /nfs/dbraw/zinc/96/25/67/1032962567.db2.gz IFONVSKDBZNOKR-KRWDZBQOSA-N 0 3 388.443 3.628 20 5 GHBDHN COc1ccc(CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC2CC2)c(OC)c1 ZINC000800500792 1021310288 /nfs/dbraw/zinc/31/02/88/1021310288.db2.gz GFMBNWWNTRQELZ-HXUWFJFHSA-N 0 3 386.448 3.558 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)/C(C)=C\c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000754031427 1022433048 /nfs/dbraw/zinc/43/30/48/1022433048.db2.gz URRKJLNELISZEH-MSUUIHNZSA-N 0 3 394.475 3.779 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001229059282 1033254632 /nfs/dbraw/zinc/25/46/32/1033254632.db2.gz LRSNQXFZLABIBJ-LFUKPOHLSA-N 0 3 396.443 3.671 20 5 GHBDHN COC(=O)c1nc(Cl)nc(NCCP(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001162358664 1025724089 /nfs/dbraw/zinc/72/40/89/1025724089.db2.gz PGMXGCFZVKXNAZ-UHFFFAOYSA-N 0 3 376.781 3.535 20 5 GHBDHN CN(C)C1CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001163942755 1026369018 /nfs/dbraw/zinc/36/90/18/1026369018.db2.gz NRBMGOOTGJVSNN-UHFFFAOYSA-N 0 3 382.798 3.605 20 5 GHBDHN CC(C)N1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C[C@H]1C ZINC001165201947 1026663326 /nfs/dbraw/zinc/66/33/26/1026663326.db2.gz SKGYYXJRXUFFCS-CYBMUJFWSA-N 0 3 375.860 3.624 20 5 GHBDHN COc1c(=O)n2c3ccccc3c3ccnc(c32)c1O[C@@H]1CNCc2ccccc21 ZINC001218493313 1030960143 /nfs/dbraw/zinc/96/01/43/1030960143.db2.gz LSWPMMRRFYFEON-LJQANCHMSA-N 0 3 397.434 3.671 20 5 GHBDHN COC(=O)Cc1ccc(O[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001226215579 1031856671 /nfs/dbraw/zinc/85/66/71/1031856671.db2.gz ZJUQDFARTSXASZ-IIBYNOLFSA-N 0 3 398.459 3.600 20 5 GHBDHN CC(C)(CNCc1cc(Br)c([N+](=O)[O-])s1)C1(O)CCCC1 ZINC001206293027 1033785995 /nfs/dbraw/zinc/78/59/95/1033785995.db2.gz PHVBUOHAWWETBA-UHFFFAOYSA-N 0 3 377.304 3.840 20 5 GHBDHN CCOC(=O)c1ccc(O[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001230913352 1034284451 /nfs/dbraw/zinc/28/44/51/1034284451.db2.gz VOVNIMMEJNGISK-GOSISDBHSA-N 0 3 384.432 3.815 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001207557590 1034448453 /nfs/dbraw/zinc/44/84/53/1034448453.db2.gz OGBXZZBOQOERTN-SAABIXHNSA-N 0 3 380.366 3.796 20 5 GHBDHN COc1ccnc(O[C@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)c1 ZINC001232229032 1035173194 /nfs/dbraw/zinc/17/31/94/1035173194.db2.gz XYNDCSRRRFRKKZ-FQEVSTJZSA-N 0 3 386.455 3.840 20 5 GHBDHN C[C@@H]1C[C@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001461984809 1069929845 /nfs/dbraw/zinc/92/98/45/1069929845.db2.gz XFIBGMREGIHMJJ-HZPDHXFCSA-N 0 3 389.496 3.989 20 5 GHBDHN COc1c(O)cc(OC2CCN(C(C)C)CC2)c2c(=O)c3ccccc3n(C)c12 ZINC001234171612 1039906106 /nfs/dbraw/zinc/90/61/06/1039906106.db2.gz ORXJQMVVFYYQNN-UHFFFAOYSA-N 0 3 396.487 3.658 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@]1(C)CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612375 1040383352 /nfs/dbraw/zinc/38/33/52/1040383352.db2.gz VSUGXHPETBLRIQ-RXVVDRJESA-N 0 3 389.496 3.689 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@H](C2CCC2)[C@@H]2CCCO2)cc1Br ZINC001462483793 1070292518 /nfs/dbraw/zinc/29/25/18/1070292518.db2.gz YHIRWWUVUZTTLL-QWHCGFSZSA-N 0 3 375.288 3.856 20 5 GHBDHN C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC001293470984 1044199587 /nfs/dbraw/zinc/19/95/87/1044199587.db2.gz RMKMPZWZERBMJQ-GFCCVEGCSA-N 0 3 379.819 3.638 20 5 GHBDHN Cc1ccc(NCCCCN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001306935529 1048967342 /nfs/dbraw/zinc/96/73/42/1048967342.db2.gz PNXKCZWCANZBRS-UHFFFAOYSA-N 0 3 382.508 3.913 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](c2ccc(F)cc2)N(C)C)cc1C ZINC001306936067 1048967872 /nfs/dbraw/zinc/96/78/72/1048967872.db2.gz JPBYBOUROVJXIR-IBGZPJMESA-N 0 3 389.427 3.934 20 5 GHBDHN CCCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC001307769314 1049580022 /nfs/dbraw/zinc/58/00/22/1049580022.db2.gz HBEAMHHDTUSOSN-IEBWSBKVSA-N 0 3 393.484 3.602 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC001329134374 1050730550 /nfs/dbraw/zinc/73/05/50/1050730550.db2.gz JXCDWLIDZKZWJB-IRLDBZIGSA-N 0 3 392.459 3.540 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001310261509 1051255072 /nfs/dbraw/zinc/25/50/72/1051255072.db2.gz JHDKEDINGAUHAI-SUMWQHHRSA-N 0 3 388.855 3.890 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COC(c2ccccc2)c2ccccc2)cc1 ZINC001336997172 1052375164 /nfs/dbraw/zinc/37/51/64/1052375164.db2.gz FMXBXDVQQFENAL-JOCHJYFZSA-N 0 3 392.455 3.852 20 5 GHBDHN CN1CCN(Cc2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)CC1 ZINC001320550746 1055875266 /nfs/dbraw/zinc/87/52/66/1055875266.db2.gz SCIXHBLHBBCLNB-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001321000422 1056051332 /nfs/dbraw/zinc/05/13/32/1056051332.db2.gz SALFUKMMFAKCDQ-INIZCTEOSA-N 0 3 376.384 3.527 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCc1nnc(C2CCN(Cc3ccccc3)CC2)o1 ZINC001323964965 1057045214 /nfs/dbraw/zinc/04/52/14/1057045214.db2.gz SBIMGXXGPFIFQS-UHFFFAOYSA-N 0 3 394.431 3.936 20 5 GHBDHN C[C@H](C(=O)N1CCN(CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001356250929 1057448089 /nfs/dbraw/zinc/44/80/89/1057448089.db2.gz ONAXBGCMKKPONY-HNNXBMFYSA-N 0 3 377.460 3.562 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001440672281 1058573023 /nfs/dbraw/zinc/57/30/23/1058573023.db2.gz BEZHYCHRLVWISF-KZNAEPCWSA-N 0 3 385.489 3.713 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccs2)cc1Cl ZINC001435421188 1062592810 /nfs/dbraw/zinc/59/28/10/1062592810.db2.gz IAPZOCFXRASMJT-UHFFFAOYSA-N 0 3 381.885 3.822 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001436142500 1063232802 /nfs/dbraw/zinc/23/28/02/1063232802.db2.gz UOEGKJCVJRWQDF-NQIIRXRSSA-N 0 3 397.450 3.809 20 5 GHBDHN CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001457541538 1063234113 /nfs/dbraw/zinc/23/41/13/1063234113.db2.gz BVIBUCDOCRLKDU-YPAWHYETSA-N 0 3 393.487 3.821 20 5 GHBDHN CCNc1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001438565295 1064071260 /nfs/dbraw/zinc/07/12/60/1064071260.db2.gz NDMMBFZDBJJDAC-LJQANCHMSA-N 0 3 396.491 3.811 20 5 GHBDHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC001459859468 1064245362 /nfs/dbraw/zinc/24/53/62/1064245362.db2.gz HZLHNWDLAITYKB-KGLIPLIRSA-N 0 3 383.448 3.770 20 5 GHBDHN CC([C@H](OC(=O)c1cnc(N(C)C)c(Cl)c1)c1ccccc1F)[N+](=O)[O-] ZINC000847737406 1065995795 /nfs/dbraw/zinc/99/57/95/1065995795.db2.gz PVBBOMMPFMFNTH-BONVTDFDSA-N 0 3 381.791 3.503 20 5 GHBDHN CC(C)Cc1ccc([C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC001468701220 1067835847 /nfs/dbraw/zinc/83/58/47/1067835847.db2.gz NMWGZTYPMMPSQB-IBGZPJMESA-N 0 3 387.455 3.965 20 5 GHBDHN CN(C(=O)CN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001473485171 1073984932 /nfs/dbraw/zinc/98/49/32/1073984932.db2.gz VYZBVHRFBSDALS-WOJBJXKFSA-N 0 3 397.475 3.531 20 5 GHBDHN CC(C)(C)OC(=O)NOCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001474282001 1074324070 /nfs/dbraw/zinc/32/40/70/1074324070.db2.gz IPZCGXJOIHAWIO-UHFFFAOYSA-N 0 3 391.424 3.791 20 5 GHBDHN Cc1c([C@@H](C)[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000822021010 607019182 /nfs/dbraw/zinc/01/91/82/607019182.db2.gz RDWNOWZYNXBVFT-CQSZACIVSA-N 0 3 398.492 3.667 20 5 GHBDHN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824547590 607816790 /nfs/dbraw/zinc/81/67/90/607816790.db2.gz QEDGXWXMMCEAFH-URLQWDBASA-N 0 3 392.463 3.837 20 5 GHBDHN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824547590 607816791 /nfs/dbraw/zinc/81/67/91/607816791.db2.gz QEDGXWXMMCEAFH-URLQWDBASA-N 0 3 392.463 3.837 20 5 GHBDHN Cc1ccc(NC(=O)[C@@H](N[C@@H](CCO)C(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000161824255 834859156 /nfs/dbraw/zinc/85/91/56/834859156.db2.gz BGDBZYGVAZHHPS-PXNSSMCTSA-N 0 3 385.464 3.580 20 5 GHBDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000145862857 834920783 /nfs/dbraw/zinc/92/07/83/834920783.db2.gz WLKGFVBIHOGLKS-UHFFFAOYSA-N 0 3 392.843 3.550 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000471161738 835276263 /nfs/dbraw/zinc/27/62/63/835276263.db2.gz QMRBDWIJWWFVJR-QFIPXVFZSA-N 0 3 397.475 3.778 20 5 GHBDHN CN(C)Cc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000584211507 835764856 /nfs/dbraw/zinc/76/48/56/835764856.db2.gz ISUREAZEYUQZMI-UHFFFAOYSA-N 0 3 392.253 3.600 20 5 GHBDHN CCCN(CCN1CCCCC1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000411727765 836308309 /nfs/dbraw/zinc/30/83/09/836308309.db2.gz POQKZYIBZCINFD-INIZCTEOSA-N 0 3 387.484 3.904 20 5 GHBDHN COc1ccc(F)cc1[C@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179953875 836463951 /nfs/dbraw/zinc/46/39/51/836463951.db2.gz LJRPLOZJLALPFM-ZDUSSCGKSA-N 0 3 375.400 3.730 20 5 GHBDHN CCC[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000246961934 836490908 /nfs/dbraw/zinc/49/09/08/836490908.db2.gz IPKNAAPDIGENCP-JXFKEZNVSA-N 0 3 384.480 3.846 20 5 GHBDHN COc1ccccc1C1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000612692128 836611354 /nfs/dbraw/zinc/61/13/54/836611354.db2.gz ZKUVVYUORRJNFZ-UHFFFAOYSA-N 0 3 384.432 3.586 20 5 GHBDHN CC(C)CN(CCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001167193189 836853797 /nfs/dbraw/zinc/85/37/97/836853797.db2.gz UDURWUBWSBQCGN-UHFFFAOYSA-N 0 3 381.476 3.685 20 5 GHBDHN COc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])c1 ZINC000015550365 844225251 /nfs/dbraw/zinc/22/52/51/844225251.db2.gz BGBRKSYKEOSMJD-LJQANCHMSA-N 0 3 375.400 3.668 20 5 GHBDHN C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000177174875 837881974 /nfs/dbraw/zinc/88/19/74/837881974.db2.gz QBENXHQBCIQWHG-MRXNPFEDSA-N 0 3 380.448 3.832 20 5 GHBDHN C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000177174891 837881997 /nfs/dbraw/zinc/88/19/97/837881997.db2.gz QBENXHQBCIQWHG-INIZCTEOSA-N 0 3 380.448 3.832 20 5 GHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535693455 844297882 /nfs/dbraw/zinc/29/78/82/844297882.db2.gz BVNRUXWNPFZLIV-IBGZPJMESA-N 0 3 378.432 3.643 20 5 GHBDHN COc1ccc([C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)N(C)C)cc1OC ZINC000189406043 838258694 /nfs/dbraw/zinc/25/86/94/838258694.db2.gz KTGVTSBRETUTFB-GOSISDBHSA-N 0 3 396.447 3.875 20 5 GHBDHN CC(C)(NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431872831 839194455 /nfs/dbraw/zinc/19/44/55/839194455.db2.gz QIULOMPXINQRIA-HXUWFJFHSA-N 0 3 396.491 3.966 20 5 GHBDHN Cc1ccc([C@H](C)NCCCS(=O)(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000127429008 844489377 /nfs/dbraw/zinc/48/93/77/844489377.db2.gz MZTTYEUQKPLHRG-INIZCTEOSA-N 0 3 376.478 3.559 20 5 GHBDHN COc1ccc([C@H](CN2CCCC2)Nc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000302124398 861212190 /nfs/dbraw/zinc/21/21/90/861212190.db2.gz HSVOJQBKOFNZQL-INIZCTEOSA-N 0 3 376.844 3.901 20 5 GHBDHN Cc1ccc([C@@H](CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)N2CCOCC2)o1 ZINC000302159746 861223771 /nfs/dbraw/zinc/22/37/71/861223771.db2.gz JOSXGKMMTCXDAI-HXUWFJFHSA-N 0 3 396.447 3.838 20 5 GHBDHN COC[C@H](C)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000510434270 841700809 /nfs/dbraw/zinc/70/08/09/841700809.db2.gz CKYMOWGWFFTDFB-INIZCTEOSA-N 0 3 380.448 3.914 20 5 GHBDHN C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000126743650 842014621 /nfs/dbraw/zinc/01/46/21/842014621.db2.gz SHXFWOPIMAEKIE-HZPDHXFCSA-N 0 3 386.471 3.898 20 5 GHBDHN COc1ccc(CN2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000585726469 842219291 /nfs/dbraw/zinc/21/92/91/842219291.db2.gz HQQVWZIGFSWQHG-UHFFFAOYSA-N 0 3 375.856 3.969 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CN(Cc4ccccc4)CCCO3)ccc2c1 ZINC000302784970 861362979 /nfs/dbraw/zinc/36/29/79/861362979.db2.gz MGBWRZUVQPCIFV-HXUWFJFHSA-N 0 3 392.459 3.846 20 5 GHBDHN CCOc1ccc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000056168701 861440921 /nfs/dbraw/zinc/44/09/21/861440921.db2.gz BOLMLLIUZZJAMT-MAUKXSAKSA-N 0 3 383.448 3.559 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000119480979 845381931 /nfs/dbraw/zinc/38/19/31/845381931.db2.gz HUWFBJKGRSZZBS-YLJYHZDGSA-N 0 3 381.476 3.788 20 5 GHBDHN CC[C@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000119519761 845483533 /nfs/dbraw/zinc/48/35/33/845483533.db2.gz SNXKWBJNWMOUEB-CTNGQTDRSA-N 0 3 381.476 3.869 20 5 GHBDHN Cc1c([C@H](C)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000539046564 845798777 /nfs/dbraw/zinc/79/87/77/845798777.db2.gz JBOSMCVNCXSAGH-JTBRQZTESA-N 0 3 389.402 3.804 20 5 GHBDHN CCOc1ccc([C@@H](C)NCCNC(=O)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000539083785 845827746 /nfs/dbraw/zinc/82/77/46/845827746.db2.gz JXCLAUNLKGWOKM-OAHLLOKOSA-N 0 3 377.485 3.731 20 5 GHBDHN CN(CCSc1ncc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000431408854 847217982 /nfs/dbraw/zinc/21/79/82/847217982.db2.gz XMTNSJZLJUUBQZ-UHFFFAOYSA-N 0 3 382.283 3.976 20 5 GHBDHN CN(C)[C@H]1CCOc2c(Nc3ncc(Br)cc3[N+](=O)[O-])cccc21 ZINC000431409938 847229904 /nfs/dbraw/zinc/22/99/04/847229904.db2.gz KVJUALSPVZYLHE-ZDUSSCGKSA-N 0 3 393.241 3.881 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000604123700 861809060 /nfs/dbraw/zinc/80/90/60/861809060.db2.gz ZVUQGQHUIFXPEW-YWZLYKJASA-N 0 3 384.480 3.820 20 5 GHBDHN CC1(C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000611707347 848040862 /nfs/dbraw/zinc/04/08/62/848040862.db2.gz NVVYIVSVDLRDMC-UHFFFAOYSA-N 0 3 377.448 3.639 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C)cc1 ZINC000514353159 849748491 /nfs/dbraw/zinc/74/84/91/849748491.db2.gz MQWWRFBETBZGNA-FQEVSTJZSA-N 0 3 380.448 3.671 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000518765663 850061961 /nfs/dbraw/zinc/06/19/61/850061961.db2.gz VNDVULVMSIUGIQ-KRWDZBQOSA-N 0 3 391.418 3.950 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000504777585 850294018 /nfs/dbraw/zinc/29/40/18/850294018.db2.gz FHEKAUBQDBQPAH-UHFFFAOYSA-N 0 3 398.463 3.562 20 5 GHBDHN O=C(C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC000515299239 850887769 /nfs/dbraw/zinc/88/77/69/850887769.db2.gz AVFWOKSBPKRILX-QGZVFWFLSA-N 0 3 385.439 3.652 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000514185196 851341750 /nfs/dbraw/zinc/34/17/50/851341750.db2.gz FKAPCPBJWPAUBY-UHFFFAOYSA-N 0 3 379.363 3.819 20 5 GHBDHN COc1cccc([C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])N(C)C)c1 ZINC000436272536 851415370 /nfs/dbraw/zinc/41/53/70/851415370.db2.gz GZQYAGKWBQEALV-CQSZACIVSA-N 0 3 384.358 3.732 20 5 GHBDHN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000489742674 852565470 /nfs/dbraw/zinc/56/54/70/852565470.db2.gz NQPMLPDUCXVUNK-CYBMUJFWSA-N 0 3 398.385 3.606 20 5 GHBDHN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000489848124 852605573 /nfs/dbraw/zinc/60/55/73/852605573.db2.gz XQKWIYPXUGCHGA-CYBMUJFWSA-N 0 3 398.385 3.606 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000490225440 852836441 /nfs/dbraw/zinc/83/64/41/852836441.db2.gz SHKULKNTHUAOKM-FQEVSTJZSA-N 0 3 397.475 3.806 20 5 GHBDHN C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000151242319 853195993 /nfs/dbraw/zinc/19/59/93/853195993.db2.gz JYOCNRLIVDSECM-QFBILLFUSA-N 0 3 385.464 3.646 20 5 GHBDHN C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000491146307 853460301 /nfs/dbraw/zinc/46/03/01/853460301.db2.gz MQAOVJBTODDDND-KXBFYZLASA-N 0 3 384.480 3.821 20 5 GHBDHN COc1cc(CN(C)[C@H]2CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000517203657 853512421 /nfs/dbraw/zinc/51/24/21/853512421.db2.gz ZYBPBPPQVRVUEP-IBGZPJMESA-N 0 3 386.448 3.793 20 5 GHBDHN CC(C)(C)N1C[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)[C@H](C(F)(F)F)C1 ZINC000426394837 853683999 /nfs/dbraw/zinc/68/39/99/853683999.db2.gz GKIVJHZVAVFQNC-CHWSQXEVSA-N 0 3 398.385 3.945 20 5 GHBDHN C[C@@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571611884 853959929 /nfs/dbraw/zinc/95/99/29/853959929.db2.gz JGXHSKJZJNKPPF-MRXNPFEDSA-N 0 3 399.516 3.928 20 5 GHBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(CCC(C)(C)C)CC1 ZINC000055935966 854259346 /nfs/dbraw/zinc/25/93/46/854259346.db2.gz PTNZJVUKPKXGHJ-AWEZNQCLSA-N 0 3 396.919 3.629 20 5 GHBDHN Cc1ccc([C@H](C)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000156799037 854335864 /nfs/dbraw/zinc/33/58/64/854335864.db2.gz VGGXVJFIVOFNFJ-SJCJKPOMSA-N 0 3 392.839 3.712 20 5 GHBDHN CCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000458894487 854477466 /nfs/dbraw/zinc/47/74/66/854477466.db2.gz YQYYQHZQLTXMKK-LAUBAEHRSA-N 0 3 396.491 3.962 20 5 GHBDHN COc1cc(CNC[C@@]2(C)CCCS2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000133514185 862578468 /nfs/dbraw/zinc/57/84/68/862578468.db2.gz PDLXJQGMMPWGNG-OAHLLOKOSA-N 0 3 394.415 3.920 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@@H](C)Cc2ccc(OC)cc2)c1 ZINC000589503301 854912495 /nfs/dbraw/zinc/91/24/95/854912495.db2.gz PSCKVUFJARTLQL-HNNXBMFYSA-N 0 3 386.448 3.701 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000553449811 855024188 /nfs/dbraw/zinc/02/41/88/855024188.db2.gz ZVYVFYATFZHRDY-UONOGXRCSA-N 0 3 383.477 3.699 20 5 GHBDHN CC(C)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2ccccc2C1 ZINC000056847148 855098259 /nfs/dbraw/zinc/09/82/59/855098259.db2.gz WVPWTCDYHLGASS-UHFFFAOYSA-N 0 3 392.459 3.643 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000057076595 855205004 /nfs/dbraw/zinc/20/50/04/855205004.db2.gz FTEBUMQYQXDSMT-UHFFFAOYSA-N 0 3 392.459 3.733 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553818627 855473674 /nfs/dbraw/zinc/47/36/74/855473674.db2.gz BCDGMGAYTNEZIO-FXAWDEMLSA-N 0 3 396.491 3.614 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542712399 855516018 /nfs/dbraw/zinc/51/60/18/855516018.db2.gz PROYGDZHTDROLQ-UHFFFAOYSA-N 0 3 388.443 3.762 20 5 GHBDHN C[C@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000465666045 855544949 /nfs/dbraw/zinc/54/49/49/855544949.db2.gz RGPPJRDXUZQEFR-ROUUACIJSA-N 0 3 396.491 3.962 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1cccc(Cl)c1 ZINC000554749783 856061916 /nfs/dbraw/zinc/06/19/16/856061916.db2.gz WOODLXCHWUXKEK-GOSISDBHSA-N 0 3 391.855 3.863 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccccc1F ZINC000053125073 856167192 /nfs/dbraw/zinc/16/71/92/856167192.db2.gz UGYHVOQOQAGAPR-ZDUSSCGKSA-N 0 3 375.400 3.764 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC(c2ccccc2)c2ccccc2)c1 ZINC000026711464 856216532 /nfs/dbraw/zinc/21/65/32/856216532.db2.gz JPGUJJFSDTUIRJ-HXUWFJFHSA-N 0 3 378.428 3.714 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000172913338 856661428 /nfs/dbraw/zinc/66/14/28/856661428.db2.gz JRZBGYCRQDOTHT-UHFFFAOYSA-N 0 3 385.489 3.747 20 5 GHBDHN CC(C)(NC[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429239139 856716235 /nfs/dbraw/zinc/71/62/35/856716235.db2.gz PLOKZHSWERJTNT-UWJYYQICSA-N 0 3 384.476 3.875 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592187240 856790492 /nfs/dbraw/zinc/79/04/92/856790492.db2.gz MSGFBHZWQFJCBX-PZJWPPBQSA-N 0 3 380.444 3.728 20 5 GHBDHN CN1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[C@H]1c1ccccc1 ZINC000245788295 857173106 /nfs/dbraw/zinc/17/31/06/857173106.db2.gz NGLKEKRGPDMGHJ-LEWJYISDSA-N 0 3 394.475 3.714 20 5 GHBDHN C[C@H](NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174183514 857222539 /nfs/dbraw/zinc/22/25/39/857222539.db2.gz NFAIOPYLQPUXBA-UWJYYQICSA-N 0 3 396.491 3.962 20 5 GHBDHN CCc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000174215112 857227693 /nfs/dbraw/zinc/22/76/93/857227693.db2.gz XXZPQSOQXJYRNS-FQEVSTJZSA-N 0 3 396.491 3.679 20 5 GHBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174956224 857413220 /nfs/dbraw/zinc/41/32/20/857413220.db2.gz USFBMJVPTDHPBP-FQEVSTJZSA-N 0 3 397.475 3.558 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000027145581 857517502 /nfs/dbraw/zinc/51/75/02/857517502.db2.gz GKVSXBBPBSFCTH-LJQANCHMSA-N 0 3 387.505 3.668 20 5 GHBDHN CC(C)N(CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1 ZINC000486713567 858016941 /nfs/dbraw/zinc/01/69/41/858016941.db2.gz QBCMDDZJESXTKH-UHFFFAOYSA-N 0 3 384.432 3.849 20 5 GHBDHN C[C@H](NC(=O)N(CCCc1ccccc1)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000521469668 858027054 /nfs/dbraw/zinc/02/70/54/858027054.db2.gz MWDLREJAHWYZBW-SFHVURJKSA-N 0 3 398.507 3.862 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001271056972 858039553 /nfs/dbraw/zinc/03/95/53/858039553.db2.gz KVVDAQABNBGGOU-IEBWSBKVSA-N 0 3 379.460 3.968 20 5 GHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121045439 858157270 /nfs/dbraw/zinc/15/72/70/858157270.db2.gz JHNGNNQZYQRSHR-KRWDZBQOSA-N 0 3 396.472 3.771 20 5 GHBDHN COc1cc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1O ZINC000114770456 858207169 /nfs/dbraw/zinc/20/71/69/858207169.db2.gz UHTKGMWOAUVECI-UHFFFAOYSA-N 0 3 385.445 3.765 20 5 GHBDHN COc1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)c([N+](=O)[O-])cc1[O-] ZINC000594957385 858345224 /nfs/dbraw/zinc/34/52/24/858345224.db2.gz ZVWSYTNDHHXDDJ-ZDUSSCGKSA-N 0 3 391.855 3.579 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H]2CCCc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000595000568 858361718 /nfs/dbraw/zinc/36/17/18/858361718.db2.gz LVFJSNDTIKMNDU-GOSISDBHSA-N 0 3 384.432 3.622 20 5 GHBDHN CS(=O)(=O)c1cccc(NCC2(N3CCCCC3)CCCCC2)c1[N+](=O)[O-] ZINC000301904491 858759085 /nfs/dbraw/zinc/75/90/85/858759085.db2.gz PPNUVAARNVHFGE-UHFFFAOYSA-N 0 3 395.525 3.599 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)ccn1 ZINC000856535457 881347568 /nfs/dbraw/zinc/34/75/68/881347568.db2.gz ZFKGVEUBFQVNDA-QGZVFWFLSA-N 0 3 388.443 3.627 20 5 GHBDHN O=[N+]([O-])c1ccc2ccnc(NCC3CCN(Cc4ccncc4)CC3)c2c1 ZINC000596436723 858896192 /nfs/dbraw/zinc/89/61/92/858896192.db2.gz PNQAHXIMZDNLDQ-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN COc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000922970491 858907398 /nfs/dbraw/zinc/90/73/98/858907398.db2.gz FFWYBUMKMXEFNM-UHFFFAOYSA-N 0 3 396.447 3.611 20 5 GHBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(CN2CCCC2)c1 ZINC000482911767 858970599 /nfs/dbraw/zinc/97/05/99/858970599.db2.gz SQIBGONCWATILB-UHFFFAOYSA-N 0 3 387.867 3.817 20 5 GHBDHN CC(C)[C@H](O)[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000597223806 859374919 /nfs/dbraw/zinc/37/49/19/859374919.db2.gz ZZKLKLLXIHDWIW-VXKWHMMOSA-N 0 3 394.475 3.843 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000185122556 859393292 /nfs/dbraw/zinc/39/32/92/859393292.db2.gz FWFKZGFKIMVTEW-GOSISDBHSA-N 0 3 399.491 3.880 20 5 GHBDHN CCc1ccc([C@H](NC[C@]2(N(C)C)CCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403739 859589080 /nfs/dbraw/zinc/58/90/80/859589080.db2.gz KOXBUMFDOZUPTM-WOJBJXKFSA-N 0 3 389.521 3.867 20 5 GHBDHN COc1cccc(C[C@H]2CCCN2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611262786 859672138 /nfs/dbraw/zinc/67/21/38/859672138.db2.gz SITLKIKSTFNWFU-QGZVFWFLSA-N 0 3 384.432 3.582 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611554403 859802841 /nfs/dbraw/zinc/80/28/41/859802841.db2.gz OOBPEHOTPJHMEJ-NWDGAFQWSA-N 0 3 389.374 3.595 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1C ZINC000895992873 860224752 /nfs/dbraw/zinc/22/47/52/860224752.db2.gz ABKYRWIWAGHEJL-MRXNPFEDSA-N 0 3 387.505 3.915 20 5 GHBDHN CC[C@@H](O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000124366013 860341291 /nfs/dbraw/zinc/34/12/91/860341291.db2.gz KRFZWOZOMCBDGJ-GFCCVEGCSA-N 0 3 383.242 3.868 20 5 GHBDHN CC[C@H](O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000124365796 860341409 /nfs/dbraw/zinc/34/14/09/860341409.db2.gz KRFZWOZOMCBDGJ-LBPRGKRZSA-N 0 3 383.242 3.868 20 5 GHBDHN CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000555315205 860443222 /nfs/dbraw/zinc/44/32/22/860443222.db2.gz WLFXCCQRUYOHEP-UTKZUKDTSA-N 0 3 381.476 3.821 20 5 GHBDHN CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000555315204 860446393 /nfs/dbraw/zinc/44/63/93/860446393.db2.gz WLFXCCQRUYOHEP-LAUBAEHRSA-N 0 3 381.476 3.821 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cc(Br)ccc3Cl)C2)c1 ZINC000896300460 860619735 /nfs/dbraw/zinc/61/97/35/860619735.db2.gz UCPCCVOQKQPPGO-UHFFFAOYSA-N 0 3 385.649 3.701 20 5 GHBDHN CCN(CC)[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000474789971 860794031 /nfs/dbraw/zinc/79/40/31/860794031.db2.gz LNVDCUDOHFYZTD-ZDUSSCGKSA-N 0 3 383.246 3.840 20 5 GHBDHN CC[S@](=O)CCNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000733900343 863332240 /nfs/dbraw/zinc/33/22/40/863332240.db2.gz NGCXDTNSGHFEKN-VWLOTQADSA-N 0 3 382.869 3.899 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522873834 863615630 /nfs/dbraw/zinc/61/56/30/863615630.db2.gz RCESCUUUZFMANZ-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CCc1ccc(OC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000734736700 864414598 /nfs/dbraw/zinc/41/45/98/864414598.db2.gz GYWAUWCYMGKSRD-OAHLLOKOSA-N 0 3 388.807 3.769 20 5 GHBDHN CCOc1ccc(CCC2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000534139575 866166957 /nfs/dbraw/zinc/16/69/57/866166957.db2.gz ZMSAOUWHWTXIID-UHFFFAOYSA-N 0 3 399.491 3.500 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C)cc1 ZINC000534248950 866372935 /nfs/dbraw/zinc/37/29/35/866372935.db2.gz LKCNOFMSAKANOD-IBGZPJMESA-N 0 3 380.448 3.671 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000456327574 866446941 /nfs/dbraw/zinc/44/69/41/866446941.db2.gz HRKLYHDNAQTYHM-SFHVURJKSA-N 0 3 381.476 3.508 20 5 GHBDHN O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128206849 866564863 /nfs/dbraw/zinc/56/48/63/866564863.db2.gz WECXCBUQYOFODY-UHFFFAOYSA-N 0 3 385.395 3.557 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOc3ccccc3C(F)(F)F)C2)nc1 ZINC000440494846 866972297 /nfs/dbraw/zinc/97/22/97/866972297.db2.gz AEYXANPMVJUWJB-CYBMUJFWSA-N 0 3 396.369 3.574 20 5 GHBDHN C[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000742962628 867700528 /nfs/dbraw/zinc/70/05/28/867700528.db2.gz NQAFTQNYXMQIHF-DVESRUBUSA-N 0 3 379.460 3.731 20 5 GHBDHN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(CN(C)C)c1 ZINC000776925293 882132761 /nfs/dbraw/zinc/13/27/61/882132761.db2.gz GAUUDUFPOFJEST-UHFFFAOYSA-N 0 3 386.408 3.742 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442686134 867913826 /nfs/dbraw/zinc/91/38/26/867913826.db2.gz USDVKSRZBVDNCG-WMLDXEAASA-N 0 3 397.500 3.959 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(CN4CCSCC4)cc3)n2)s1 ZINC000445468578 868472861 /nfs/dbraw/zinc/47/28/61/868472861.db2.gz FCIDZTVWERDHRR-UHFFFAOYSA-N 0 3 388.474 3.922 20 5 GHBDHN Cc1c(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000554040776 868635420 /nfs/dbraw/zinc/63/54/20/868635420.db2.gz SHJXLQDWOKSOGF-HXUWFJFHSA-N 0 3 385.464 3.723 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000524234167 868779493 /nfs/dbraw/zinc/77/94/93/868779493.db2.gz XONBGOJLIDDPMP-UHFFFAOYSA-N 0 3 389.883 3.690 20 5 GHBDHN CC(C)(NC(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000487536300 882243654 /nfs/dbraw/zinc/24/36/54/882243654.db2.gz JUJMHIGAQVJVEJ-HXUWFJFHSA-N 0 3 396.491 3.966 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC001170434039 882246498 /nfs/dbraw/zinc/24/64/98/882246498.db2.gz DMLDBYFLSJJYER-RVFRGNJDSA-N 0 3 392.496 3.931 20 5 GHBDHN Cc1ccc(F)cc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445791378 868988987 /nfs/dbraw/zinc/98/89/87/868988987.db2.gz UYZQHRBAQTUWBQ-UHFFFAOYSA-N 0 3 383.427 3.631 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000462489123 869544768 /nfs/dbraw/zinc/54/47/68/869544768.db2.gz YBYMVXAZLSVTDH-PXNSSMCTSA-N 0 3 381.476 3.683 20 5 GHBDHN COc1cc(CNC[C@H](C)c2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594954346 869573660 /nfs/dbraw/zinc/57/36/60/869573660.db2.gz KMZIQHBACIKSTE-LBPRGKRZSA-N 0 3 399.369 3.833 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000525383025 870536461 /nfs/dbraw/zinc/53/64/61/870536461.db2.gz PPIHRFXWNKXUBC-SFHVURJKSA-N 0 3 395.503 3.995 20 5 GHBDHN COCC[C@]1(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCOC1 ZINC000447079506 870955057 /nfs/dbraw/zinc/95/50/57/870955057.db2.gz WDCOXKJFGZJTDX-NRFANRHFSA-N 0 3 385.464 3.648 20 5 GHBDHN COc1ccc(OCCN(C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000441258697 871589171 /nfs/dbraw/zinc/58/91/71/871589171.db2.gz UISLPTQNJTZNDN-UHFFFAOYSA-N 0 3 382.363 3.716 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000595777788 874214674 /nfs/dbraw/zinc/21/46/74/874214674.db2.gz KBHXJSRFGBPCMM-IAGOWNOFSA-N 0 3 375.469 3.558 20 5 GHBDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769745513 874279500 /nfs/dbraw/zinc/27/95/00/874279500.db2.gz CVZNYMQHZWBEAY-IBGZPJMESA-N 0 3 391.472 3.500 20 5 GHBDHN C[NH+]1CCC(COc2cccc(F)c2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001201229272 875565761 /nfs/dbraw/zinc/56/57/61/875565761.db2.gz KPDCTJXAKSBRTH-UHFFFAOYSA-N 0 3 375.400 3.904 20 5 GHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450457026 876463529 /nfs/dbraw/zinc/46/35/29/876463529.db2.gz UQNIXWLNCWXFEK-PXNSSMCTSA-N 0 3 377.448 3.667 20 5 GHBDHN C[C@H](CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000787110868 877154050 /nfs/dbraw/zinc/15/40/50/877154050.db2.gz AXIUTFNQJGOFDQ-QGZVFWFLSA-N 0 3 397.475 3.778 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(F)ccc1OC(F)F ZINC001183084666 912240009 /nfs/dbraw/zinc/24/00/09/912240009.db2.gz QDFCEXOJZKZGTH-LLVKDONJSA-N 0 3 397.353 3.842 20 5 GHBDHN O=C1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H](C2CC2)N1 ZINC000551581390 877493071 /nfs/dbraw/zinc/49/30/71/877493071.db2.gz KODVURZCTIQKAK-APWZRJJASA-N 0 3 389.839 3.655 20 5 GHBDHN O=C1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H](C2CC2)N1 ZINC000551581393 877493278 /nfs/dbraw/zinc/49/32/78/877493278.db2.gz KODVURZCTIQKAK-VQIMIIECSA-N 0 3 389.839 3.655 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787813224 877632551 /nfs/dbraw/zinc/63/25/51/877632551.db2.gz UJNOJYWBOOSJTH-XJKSGUPXSA-N 0 3 388.855 3.890 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1F ZINC000179618795 877780111 /nfs/dbraw/zinc/78/01/11/877780111.db2.gz OVUFHOCXAQVVKN-INIZCTEOSA-N 0 3 393.390 3.951 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451345915 877795191 /nfs/dbraw/zinc/79/51/91/877795191.db2.gz RKHIATJCQJXBBZ-BVPBIZIASA-N 0 3 386.452 3.721 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451402956 877924097 /nfs/dbraw/zinc/92/40/97/877924097.db2.gz CLSZMCUNQLAMBW-NWDGAFQWSA-N 0 3 389.374 3.595 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451484520 878029326 /nfs/dbraw/zinc/02/93/26/878029326.db2.gz XFBGGHZLDLIBDA-IUIKQTSFSA-N 0 3 381.860 3.513 20 5 GHBDHN O=c1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc2ccc(Cl)cn12 ZINC000451546012 878119802 /nfs/dbraw/zinc/11/98/02/878119802.db2.gz IOWSHCJPBADMLW-OAHLLOKOSA-N 0 3 398.850 3.636 20 5 GHBDHN COC(=O)/C=C/c1ccc(Nc2cccc3c2OCC[C@H]3N(C)C)c([N+](=O)[O-])c1 ZINC000788578834 878181567 /nfs/dbraw/zinc/18/15/67/878181567.db2.gz XCBGFXUIOHTUKZ-XSFOEPMVSA-N 0 3 397.431 3.910 20 5 GHBDHN COc1cc(CNC[C@]2(C)CCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493766802 879635214 /nfs/dbraw/zinc/63/52/14/879635214.db2.gz QTQYQUAWAYBJCG-INIZCTEOSA-N 0 3 376.425 3.623 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790560117 879815763 /nfs/dbraw/zinc/81/57/63/879815763.db2.gz ODIXSLFIBBNOAR-CYBMUJFWSA-N 0 3 393.846 3.567 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000854512916 879870357 /nfs/dbraw/zinc/87/03/57/879870357.db2.gz FMKHTFKBWPCIBL-VQIMIIECSA-N 0 3 390.443 3.833 20 5 GHBDHN CCCN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCc2ccccc2C1 ZINC000919951669 881241305 /nfs/dbraw/zinc/24/13/05/881241305.db2.gz SFOIQJRUHZLWJV-QGZVFWFLSA-N 0 3 381.432 3.730 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000509504229 883789535 /nfs/dbraw/zinc/78/95/35/883789535.db2.gz RJDWYHDNNAFBPN-YLJYHZDGSA-N 0 3 396.491 3.739 20 5 GHBDHN C[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1C ZINC000498480796 884547856 /nfs/dbraw/zinc/54/78/56/884547856.db2.gz KZCKYNGSVGKMSR-KBPBESRZSA-N 0 3 388.493 3.711 20 5 GHBDHN CC[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000914735134 884650228 /nfs/dbraw/zinc/65/02/28/884650228.db2.gz MLUCBPAMNANVAV-FNUUXAGOSA-N 0 3 379.460 3.561 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248906208 885187746 /nfs/dbraw/zinc/18/77/46/885187746.db2.gz UWDXEAGOPRZLDG-QAPCUYQASA-N 0 3 382.464 3.854 20 5 GHBDHN CN(C)[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000915308985 886300338 /nfs/dbraw/zinc/30/03/38/886300338.db2.gz GUYMXBSTHUYPNM-HNNXBMFYSA-N 0 3 376.844 3.543 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCCN4c5ccccc5C[C@H]4C3)c2)cc1 ZINC000811784393 889945466 /nfs/dbraw/zinc/94/54/66/889945466.db2.gz VKHXYRBNSZIYNE-NRFANRHFSA-N 0 3 389.459 3.553 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094603 890323618 /nfs/dbraw/zinc/32/36/18/890323618.db2.gz OOBGODNVNGXWGP-JTDSTZFVSA-N 0 3 382.464 3.618 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000455179716 890478551 /nfs/dbraw/zinc/47/85/51/890478551.db2.gz HXNJSYOXUTYJSF-INIZCTEOSA-N 0 3 382.464 3.889 20 5 GHBDHN CC(COC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)[N+](=O)[O-] ZINC000813115804 891306913 /nfs/dbraw/zinc/30/69/13/891306913.db2.gz ZVZZBUFJBDXPOH-NSHDSACASA-N 0 3 375.768 3.608 20 5 GHBDHN COc1cc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000237392170 891614089 /nfs/dbraw/zinc/61/40/89/891614089.db2.gz GWGKMJPXBFFBCO-FQEVSTJZSA-N 0 3 386.448 3.883 20 5 GHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000813751106 891922567 /nfs/dbraw/zinc/92/25/67/891922567.db2.gz BMPNGRXQYWAUAM-HXUWFJFHSA-N 0 3 387.455 3.965 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H]3CCc3ccccc3)n2)cc1 ZINC000917479360 892043677 /nfs/dbraw/zinc/04/36/77/892043677.db2.gz ZWXNVHHYJMPSTE-LJQANCHMSA-N 0 3 377.448 3.908 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000497869279 892588192 /nfs/dbraw/zinc/58/81/92/892588192.db2.gz UXYJYOJDZVTNBW-KRWDZBQOSA-N 0 3 386.452 3.645 20 5 GHBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000288284169 913717744 /nfs/dbraw/zinc/71/77/44/913717744.db2.gz HKNCKKUMHNLSJX-CVEARBPZSA-N 0 3 375.472 3.792 20 5 GHBDHN C[C@]1(O)CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000536660698 893468593 /nfs/dbraw/zinc/46/85/93/893468593.db2.gz DTFWEDJRBBFNPO-KRWDZBQOSA-N 0 3 395.253 3.964 20 5 GHBDHN COc1ccc2c(c1)CCCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000536682877 893552454 /nfs/dbraw/zinc/55/24/54/893552454.db2.gz PFSVPOGSNHJBBG-UHFFFAOYSA-N 0 3 392.459 3.952 20 5 GHBDHN Cc1ccc(CNCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000069833357 893925647 /nfs/dbraw/zinc/92/56/47/893925647.db2.gz ALYLGPWCBNRUCV-ROUUACIJSA-N 0 3 383.492 3.802 20 5 GHBDHN Cc1c(Br)c(N[C@H]2CCN(CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001185555656 913951120 /nfs/dbraw/zinc/95/11/20/913951120.db2.gz UYNZFTUBUIFZPJ-ZDUSSCGKSA-N 0 3 383.290 3.737 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC001135926107 895702431 /nfs/dbraw/zinc/70/24/31/895702431.db2.gz COFAJLFNYPYISJ-PWRODBHTSA-N 0 3 381.476 3.680 20 5 GHBDHN O=C(CCN[C@H]1CCSc2c(F)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000565728395 895837006 /nfs/dbraw/zinc/83/70/06/895837006.db2.gz HSMTUEFSCVKEGA-AWEZNQCLSA-N 0 3 375.425 3.889 20 5 GHBDHN CCc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)cc1[N+](=O)[O-] ZINC001136037492 895939161 /nfs/dbraw/zinc/93/91/61/895939161.db2.gz ICXQEZYGNCWRQU-NRFANRHFSA-N 0 3 399.491 3.979 20 5 GHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)C2(CCCCC2)C1 ZINC000566422599 896303234 /nfs/dbraw/zinc/30/32/34/896303234.db2.gz AZIWREYLYGBALO-HNNXBMFYSA-N 0 3 385.468 3.656 20 5 GHBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001136225011 896700279 /nfs/dbraw/zinc/70/02/79/896700279.db2.gz PJFOFANEILMBJE-INIZCTEOSA-N 0 3 383.448 3.849 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130879880 897239247 /nfs/dbraw/zinc/23/92/47/897239247.db2.gz VIGREWKERJJDCZ-UHFFFAOYSA-N 0 3 398.419 3.805 20 5 GHBDHN CN1CCN(C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000567676725 897330679 /nfs/dbraw/zinc/33/06/79/897330679.db2.gz OSSVCEGZGLKDRT-PKTZIBPZSA-N 0 3 394.519 3.551 20 5 GHBDHN CC(C)OCCN1CCC(Nc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000820670611 897454408 /nfs/dbraw/zinc/45/44/08/897454408.db2.gz SMQGKBRWUSQQEO-UHFFFAOYSA-N 0 3 386.290 3.659 20 5 GHBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000569263596 898483634 /nfs/dbraw/zinc/48/36/34/898483634.db2.gz MMTJKICCYHLEHW-CQSZACIVSA-N 0 3 385.390 3.853 20 5 GHBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001136754728 899149529 /nfs/dbraw/zinc/14/95/29/899149529.db2.gz BWGOCIPPXITTQC-QGZVFWFLSA-N 0 3 383.448 3.991 20 5 GHBDHN Cc1cc(Cl)c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000823795488 899265202 /nfs/dbraw/zinc/26/52/02/899265202.db2.gz PDQPQWVPZCOXGF-UHFFFAOYSA-N 0 3 387.867 3.951 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000331929365 899271729 /nfs/dbraw/zinc/27/17/29/899271729.db2.gz DEQHHKJMZJKPFW-QAPCUYQASA-N 0 3 391.537 3.899 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000823996537 899345455 /nfs/dbraw/zinc/34/54/55/899345455.db2.gz IXSLJJWQUDZLKK-FZKQIMNGSA-N 0 3 381.860 3.595 20 5 GHBDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000823996351 899345521 /nfs/dbraw/zinc/34/55/21/899345521.db2.gz AIJCTNPQEMHQCO-GFCCVEGCSA-N 0 3 382.869 3.545 20 5 GHBDHN Cc1c(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000573088517 900375530 /nfs/dbraw/zinc/37/55/30/900375530.db2.gz LZUFUWDUTFWGJJ-KRWDZBQOSA-N 0 3 390.871 3.659 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](CO)c3cccnc3)o2)c(Cl)c1 ZINC000573996779 900732518 /nfs/dbraw/zinc/73/25/18/900732518.db2.gz HVIDYQSCOOEYEV-AWEZNQCLSA-N 0 3 387.823 3.769 20 5 GHBDHN Cc1oc(-c2ccco2)nc1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873719 902475455 /nfs/dbraw/zinc/47/54/55/902475455.db2.gz FPDHMOMXAVOXEZ-BBATYDOGSA-N 0 3 388.351 3.874 20 5 GHBDHN COc1cccc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1OC ZINC000845874212 902478011 /nfs/dbraw/zinc/47/80/11/902478011.db2.gz YJZFQVJYMVCQKN-BFUOFWGJSA-N 0 3 391.395 3.725 20 5 GHBDHN CC([C@@H](OC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876015 902480473 /nfs/dbraw/zinc/48/04/73/902480473.db2.gz MPHOTVWTOPWCRU-VCTAVGKDSA-N 0 3 380.397 3.697 20 5 GHBDHN COc1cccc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1F ZINC000845879985 902485067 /nfs/dbraw/zinc/48/50/67/902485067.db2.gz JOCRXOKRJVMXJT-CWTRNNRKSA-N 0 3 379.359 3.856 20 5 GHBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845881696 902485327 /nfs/dbraw/zinc/48/53/27/902485327.db2.gz NIMBBTCZYIQXSQ-AKDPKCQSSA-N 0 3 388.351 3.787 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)Cn1ncc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845883486 902486190 /nfs/dbraw/zinc/48/61/90/902486190.db2.gz TXSCYBZLCXGETF-PJIJBLCYSA-N 0 3 385.395 3.761 20 5 GHBDHN Cc1c(CN2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001171544810 904773563 /nfs/dbraw/zinc/77/35/63/904773563.db2.gz BLVXIPSGTSQHLK-SFHVURJKSA-N 0 3 399.466 3.961 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ncccc2C(F)(F)F)c1F ZINC001173176385 906253967 /nfs/dbraw/zinc/25/39/67/906253967.db2.gz IFJPTTYQBVCVIN-JTQLQIEISA-N 0 3 387.333 3.877 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H]2CCOc3cc(F)ccc32)c1F ZINC001173184292 906265726 /nfs/dbraw/zinc/26/57/26/906265726.db2.gz PQOVPKMHKKNOLG-NHYWBVRUSA-N 0 3 378.375 3.926 20 5 GHBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C(C)(C)C1 ZINC001178861398 909290015 /nfs/dbraw/zinc/29/00/15/909290015.db2.gz XCZKMVODCURLGL-FQEVSTJZSA-N 0 3 396.491 3.667 20 5 GHBDHN COc1cc(CNCC[C@H]2CCCS2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001179273539 909463817 /nfs/dbraw/zinc/46/38/17/909463817.db2.gz GTESAWUZSMPXSC-GFCCVEGCSA-N 0 3 394.415 3.920 20 5 GHBDHN COc1ccccc1C[C@](C)(CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001179278686 909469593 /nfs/dbraw/zinc/46/95/93/909469593.db2.gz WTTUAYLOONHCBE-JOCHJYFZSA-N 0 3 396.443 3.947 20 5 GHBDHN CCC[C@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268830072 910036539 /nfs/dbraw/zinc/03/65/39/910036539.db2.gz OHMCYKKYSJGGCO-SFHVURJKSA-N 0 3 377.466 3.597 20 5 GHBDHN CN(C)c1cc(NCc2nc3cc([N+](=O)[O-])ccc3o2)ncc1Br ZINC001181808783 910996314 /nfs/dbraw/zinc/99/63/14/910996314.db2.gz QHVDCTRTQSMFLF-UHFFFAOYSA-N 0 3 392.213 3.572 20 5 GHBDHN COc1cc(CNC2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000273872136 911073417 /nfs/dbraw/zinc/07/34/17/911073417.db2.gz WHCNDTYYUNOHHN-UHFFFAOYSA-N 0 3 386.448 3.532 20 5 GHBDHN CC(C)OC(=O)C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC001182616374 911927217 /nfs/dbraw/zinc/92/72/17/911927217.db2.gz OBBIGMMOGKMDFJ-LBPRGKRZSA-N 0 3 393.303 3.875 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284812732 912039328 /nfs/dbraw/zinc/03/93/28/912039328.db2.gz PHSVQVJZKLKZIL-IAGOWNOFSA-N 0 3 392.253 3.527 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)o1 ZINC000363843405 918909839 /nfs/dbraw/zinc/90/98/39/918909839.db2.gz GAEVHPMPRZQTEN-MRXNPFEDSA-N 0 3 386.448 3.872 20 5 GHBDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119749526 919650886 /nfs/dbraw/zinc/65/08/86/919650886.db2.gz GGKOOYGNRFQDQZ-UHFFFAOYSA-N 0 3 379.416 3.601 20 5 GHBDHN CC(C)n1ncc2c1C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000365129840 920410788 /nfs/dbraw/zinc/41/07/88/920410788.db2.gz DKQFWFZZUHCVKB-CQSZACIVSA-N 0 3 380.395 3.621 20 5 GHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000410049093 925285975 /nfs/dbraw/zinc/28/59/75/925285975.db2.gz MSWVOUPHTDTAAL-OAQYLSRUSA-N 0 3 395.503 3.727 20 5 GHBDHN Cc1nn(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749951528 927367271 /nfs/dbraw/zinc/36/72/71/927367271.db2.gz YOUKHSPUWMNNQS-PXNSSMCTSA-N 0 3 395.463 3.705 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000467691383 929307010 /nfs/dbraw/zinc/30/70/10/929307010.db2.gz NQSOTDKBJJJMQE-FXAWDEMLSA-N 0 3 396.491 3.566 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000546398695 930125487 /nfs/dbraw/zinc/12/54/87/930125487.db2.gz ROQXIMZZFAOWPQ-MRXNPFEDSA-N 0 3 379.420 3.728 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000797084944 932175964 /nfs/dbraw/zinc/17/59/64/932175964.db2.gz WCLMLYSZBHOORN-NYSBEXSLSA-N 0 3 379.460 3.841 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cc(Br)ccc2F)n1 ZINC000559879606 932919071 /nfs/dbraw/zinc/91/90/71/932919071.db2.gz YVYXWJVMMGQUGU-CABCVRRESA-N 0 3 397.248 3.966 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc(Br)ccc2F)n1 ZINC000559879611 932919226 /nfs/dbraw/zinc/91/92/26/932919226.db2.gz YVYXWJVMMGQUGU-HUUCEWRRSA-N 0 3 397.248 3.966 20 5 GHBDHN C[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](n2cncn2)C1 ZINC000559899958 932934589 /nfs/dbraw/zinc/93/45/89/932934589.db2.gz GTQCAVPHDUMACY-RLCCDNCMSA-N 0 3 383.374 3.725 20 5 GHBDHN C[C@@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001116460097 933573153 /nfs/dbraw/zinc/57/31/53/933573153.db2.gz YVBPZEYOECMRJC-GFCCVEGCSA-N 0 3 381.354 3.694 20 5 GHBDHN CO[C@H](CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC001118630182 934212728 /nfs/dbraw/zinc/21/27/28/934212728.db2.gz YTDBTORACKZNHS-KPZWWZAWSA-N 0 3 380.828 3.649 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000828737269 935696791 /nfs/dbraw/zinc/69/67/91/935696791.db2.gz KORHGBFGPGXEIP-UGSOOPFHSA-N 0 3 375.856 3.978 20 5 GHBDHN O=C(CCNC1(c2ccccc2F)CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000829896483 935879092 /nfs/dbraw/zinc/87/90/92/935879092.db2.gz NYVBWUMGBXSNSP-UHFFFAOYSA-N 0 3 375.375 3.871 20 5 GHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470825280 1016901087 /nfs/dbraw/zinc/90/10/87/1016901087.db2.gz SJRXVMUSBCBCLK-KMFMINBZSA-N 0 3 378.473 3.657 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001221084324 1032276033 /nfs/dbraw/zinc/27/60/33/1032276033.db2.gz ZHDZXZAWTJMXGG-FQEVSTJZSA-N 0 3 384.480 3.568 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000801539310 1021410007 /nfs/dbraw/zinc/41/00/07/1021410007.db2.gz FOAUYKUFUWIZGR-YQQAZPJKSA-N 0 3 393.459 3.859 20 5 GHBDHN Cc1c([C@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)cccc1[N+](=O)[O-] ZINC000834905575 1021658235 /nfs/dbraw/zinc/65/82/35/1021658235.db2.gz ZLSQRCGUDPEFOZ-JKSUJKDBSA-N 0 3 393.484 3.580 20 5 GHBDHN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754313972 1022608238 /nfs/dbraw/zinc/60/82/38/1022608238.db2.gz MAHJFUJHFOUOGD-UONOGXRCSA-N 0 3 381.448 3.859 20 5 GHBDHN CN(C)[C@H](CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])c1cccs1 ZINC001161941012 1025505685 /nfs/dbraw/zinc/50/56/85/1025505685.db2.gz CAQANBRWGLJDSV-CQSZACIVSA-N 0 3 376.869 3.995 20 5 GHBDHN O=[N+]([O-])c1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1Br ZINC000839582148 1026080093 /nfs/dbraw/zinc/08/00/93/1026080093.db2.gz XSUDKWPDCOVIJU-APHBMKBZSA-N 0 3 381.270 3.795 20 5 GHBDHN Cc1nn(CN2C[C@H](c3ccccc3)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840179297 1027316395 /nfs/dbraw/zinc/31/63/95/1027316395.db2.gz QOTFPXHJMFVVEJ-LJQANCHMSA-N 0 3 377.448 3.875 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3c(F)c(F)c(F)c(F)c3[N+](=O)[O-])n2)cc1 ZINC001216767699 1029926617 /nfs/dbraw/zinc/92/66/17/1029926617.db2.gz MICLRMDZRUTIIL-UHFFFAOYSA-N 0 3 396.300 3.930 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001222515759 1030177823 /nfs/dbraw/zinc/17/78/23/1030177823.db2.gz GYVKKFJGDMYSNZ-VGSWGCGISA-N 0 3 396.491 3.928 20 5 GHBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H](N)c1ccccc1 ZINC001219005330 1031208373 /nfs/dbraw/zinc/20/83/73/1031208373.db2.gz LBLOPGDOUSBNPR-OAQYLSRUSA-N 0 3 386.455 3.595 20 5 GHBDHN O=[N+]([O-])c1cnc(OC2CCN(Cc3ccccc3)CC2)c(Br)c1 ZINC001226340367 1031921449 /nfs/dbraw/zinc/92/14/49/1031921449.db2.gz YRLWUOYHYHPPFU-UHFFFAOYSA-N 0 3 392.253 3.796 20 5 GHBDHN C[C@H](N)c1ccn(-c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])n1 ZINC001158357209 1034041883 /nfs/dbraw/zinc/04/18/83/1034041883.db2.gz XUTCDSZYXSSOCQ-AWEZNQCLSA-N 0 3 389.415 3.927 20 5 GHBDHN COc1cc(O[C@@H]2CCCN(C)CC2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230526328 1034102862 /nfs/dbraw/zinc/10/28/62/1034102862.db2.gz VYLAVOVFRNIEDN-CYBMUJFWSA-N 0 3 399.443 3.532 20 5 GHBDHN Cc1ccc(CN[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001207150351 1034127983 /nfs/dbraw/zinc/12/79/83/1034127983.db2.gz FFENBUPIIKIGDP-LJQANCHMSA-N 0 3 383.448 3.794 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)c(/C=C/c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001248037130 1038550801 /nfs/dbraw/zinc/55/08/01/1038550801.db2.gz WWNVNPJKWUBFQP-QHHAFSJGSA-N 0 3 383.795 3.509 20 5 GHBDHN CCOC(=O)Cc1ccc2c(c1)CN([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254551438 1040318732 /nfs/dbraw/zinc/31/87/32/1040318732.db2.gz AYTXBQWFACXHMJ-INIZCTEOSA-N 0 3 382.460 3.690 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254553868 1040322558 /nfs/dbraw/zinc/32/25/58/1040322558.db2.gz ZSLARZSFRHUIKB-WBVHZDCISA-N 0 3 377.485 3.905 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001254558029 1040328820 /nfs/dbraw/zinc/32/88/20/1040328820.db2.gz SBFVDSSNJWSMAO-ZWCUEREDSA-N 0 3 397.475 3.623 20 5 GHBDHN C[C@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)Nc1ccc2ccccc2c1 ZINC001254579873 1040355094 /nfs/dbraw/zinc/35/50/94/1040355094.db2.gz WMTIZFNGAJBPKG-XOBRGWDASA-N 0 3 375.428 3.832 20 5 GHBDHN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001307748602 1049560834 /nfs/dbraw/zinc/56/08/34/1049560834.db2.gz GSWXYASPVSRGAG-MRXNPFEDSA-N 0 3 393.484 3.743 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC001307942517 1049713068 /nfs/dbraw/zinc/71/30/68/1049713068.db2.gz NHPZCDPFBXIXAZ-INIZCTEOSA-N 0 3 379.432 3.756 20 5 GHBDHN COC(=O)CC[C@@H](CC1CCCCC1)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308836258 1050115291 /nfs/dbraw/zinc/11/52/91/1050115291.db2.gz QPFJSKKXYDRGDU-INIZCTEOSA-N 0 3 394.468 3.691 20 5 GHBDHN COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001308836258 1050115293 /nfs/dbraw/zinc/11/52/93/1050115293.db2.gz QPFJSKKXYDRGDU-INIZCTEOSA-N 0 3 394.468 3.691 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)cc1Br ZINC001308842475 1050119768 /nfs/dbraw/zinc/11/97/68/1050119768.db2.gz UUGATRMMFPKKCB-STQMWFEESA-N 0 3 375.288 3.856 20 5 GHBDHN C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001312818533 1052881690 /nfs/dbraw/zinc/88/16/90/1052881690.db2.gz YVYLWAYHOVPWOB-GUXCAODWSA-N 0 3 382.464 3.618 20 5 GHBDHN COc1ccc(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345370627 1055010584 /nfs/dbraw/zinc/01/05/84/1055010584.db2.gz LUMOXWVSWFJYGM-GDBMZVCRSA-N 0 3 384.436 3.560 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001319897343 1055529498 /nfs/dbraw/zinc/52/94/98/1055529498.db2.gz ZRRKBMKBWSQYNM-VQIMIIECSA-N 0 3 397.475 3.949 20 5 GHBDHN CN1CCN(Cc2cccc(CNc3nc4ccccc4cc3[N+](=O)[O-])c2)CC1 ZINC001320992341 1056049032 /nfs/dbraw/zinc/04/90/32/1056049032.db2.gz JRSCSYSQRCUOBO-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001440672289 1058573472 /nfs/dbraw/zinc/57/34/72/1058573472.db2.gz BEZHYCHRLVWISF-RCCFBDPRSA-N 0 3 385.489 3.713 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC001435472299 1062652922 /nfs/dbraw/zinc/65/29/22/1062652922.db2.gz QBQJLLPENQGCAX-UHFFFAOYSA-N 0 3 379.844 3.662 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001459825095 1064233880 /nfs/dbraw/zinc/23/38/80/1064233880.db2.gz FXWHDEYNCCICQW-QGZVFWFLSA-N 0 3 379.526 3.947 20 5 GHBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC001459859470 1064245609 /nfs/dbraw/zinc/24/56/09/1064245609.db2.gz HZLHNWDLAITYKB-ZIAGYGMSSA-N 0 3 383.448 3.770 20 5 GHBDHN Cc1cc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001466026589 1065960042 /nfs/dbraw/zinc/96/00/42/1065960042.db2.gz HCDPMFVJSITETQ-MRXNPFEDSA-N 0 3 382.464 3.889 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(CN2CCN(c3ccnc4ccccc43)CC2)c(F)c1 ZINC001460071489 1068760270 /nfs/dbraw/zinc/76/02/70/1068760270.db2.gz AZRQDKMFXPDKJI-UHFFFAOYSA-N 0 3 384.386 3.743 20 5 GHBDHN Cc1ccc(CN2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC001460693401 1069091785 /nfs/dbraw/zinc/09/17/85/1069091785.db2.gz LPXWQOYZJTXBIP-CVDCTZTESA-N 0 3 395.503 3.769 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN[C@H]2CCOc3ccc(Br)cc32)c1 ZINC001460751645 1069155685 /nfs/dbraw/zinc/15/56/85/1069155685.db2.gz UBTHZBWTUJOLPP-INIZCTEOSA-N 0 3 393.237 3.850 20 5 GHBDHN O=C(NCCN1CCCCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001472487599 1073507840 /nfs/dbraw/zinc/50/78/40/1073507840.db2.gz SYHGTLBNZKPAHY-UHFFFAOYSA-N 0 3 378.231 3.647 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC001472651256 1073596784 /nfs/dbraw/zinc/59/67/84/1073596784.db2.gz XCIKRAUBRIYAIG-UHFFFAOYSA-N 0 3 383.448 3.630 20 5 GHBDHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001479158859 1079129003 /nfs/dbraw/zinc/12/90/03/1079129003.db2.gz SXULSBRTGBAYFH-APWZRJJASA-N 0 3 382.464 3.538 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC001473530195 1074004815 /nfs/dbraw/zinc/00/48/15/1074004815.db2.gz HEPNIODAIPZDLT-GHTZIAJQSA-N 0 3 382.460 3.952 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001474374791 1074371263 /nfs/dbraw/zinc/37/12/63/1074371263.db2.gz DGAHKGJPSNNASQ-YOEHRIQHSA-N 0 3 377.485 3.947 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474464522 1074418041 /nfs/dbraw/zinc/41/80/41/1074418041.db2.gz QCCVMGSQUNNMNW-LJQANCHMSA-N 0 3 382.464 3.982 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001474612578 1074484100 /nfs/dbraw/zinc/48/41/00/1074484100.db2.gz MCGXLADQPBRUQG-DHIUTWEWSA-N 0 3 395.503 3.687 20 5 GHBDHN C[C@@](CO)(Cc1ccccc1F)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001660390179 1126264648 /nfs/dbraw/zinc/26/46/48/1126264648.db2.gz ZFJLJTJZMMOOPD-KRWDZBQOSA-N 0 3 386.345 3.836 20 5 GHBDHN COc1ccccc1[C@H](CNc1nc2sccn2c1[N+](=O)[O-])N1CCCC1 ZINC000024341865 212105866 /nfs/dbraw/zinc/10/58/66/212105866.db2.gz ZZPNKWYTRTXEMT-AWEZNQCLSA-N 0 3 387.465 3.562 20 5 GHBDHN Cc1ccc(Sc2ccc(CNCCNC(=O)C(C)C)cc2[N+](=O)[O-])cc1 ZINC000236788395 837807395 /nfs/dbraw/zinc/80/73/95/837807395.db2.gz KJHFKUBYVVYQMI-UHFFFAOYSA-N 0 3 387.505 3.916 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000611938033 835083592 /nfs/dbraw/zinc/08/35/92/835083592.db2.gz GSGIYXXBLXUGNP-IBGZPJMESA-N 0 3 396.491 3.659 20 5 GHBDHN CCOc1cc(CN2CC[C@@H]2CC)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000430206913 835099538 /nfs/dbraw/zinc/09/95/38/835099538.db2.gz PGUUXHSRHPIPNE-KRWDZBQOSA-N 0 3 388.468 3.562 20 5 GHBDHN C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187170194 835254091 /nfs/dbraw/zinc/25/40/91/835254091.db2.gz CXQCCRUAUVSJHE-KKSFZXQISA-N 0 3 396.491 3.616 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N(C)C)cc1 ZINC000188016563 835353583 /nfs/dbraw/zinc/35/35/83/835353583.db2.gz VUSJAOBBIDJYTO-QGZVFWFLSA-N 0 3 387.505 3.912 20 5 GHBDHN CCCCO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000584258705 835811059 /nfs/dbraw/zinc/81/10/59/835811059.db2.gz DWZMZNWFTIXPCN-HOTGVXAUSA-N 0 3 383.876 3.760 20 5 GHBDHN COc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000611828715 835913963 /nfs/dbraw/zinc/91/39/63/835913963.db2.gz JLUPCDWLJNBHIG-KRWDZBQOSA-N 0 3 384.436 3.562 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1ccccc1F ZINC000411174509 836077405 /nfs/dbraw/zinc/07/74/05/836077405.db2.gz SKPNBXBXMYRSFF-CYBMUJFWSA-N 0 3 375.400 3.764 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000047453834 836224725 /nfs/dbraw/zinc/22/47/25/836224725.db2.gz FYWMJBNQGWFHAR-UHFFFAOYSA-N 0 3 385.467 3.855 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000612614250 836483794 /nfs/dbraw/zinc/48/37/94/836483794.db2.gz JGBFDSPAAUULDF-HNNXBMFYSA-N 0 3 386.427 3.862 20 5 GHBDHN COc1cc(CNCC[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000181247187 837895564 /nfs/dbraw/zinc/89/55/64/837895564.db2.gz UWPWVKVJVLNCCT-ZDUSSCGKSA-N 0 3 392.374 3.593 20 5 GHBDHN CN(C)[C@H]1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275747087 838653894 /nfs/dbraw/zinc/65/38/94/838653894.db2.gz CTQNUNWCZBSIQA-AWEZNQCLSA-N 0 3 385.414 3.538 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000471520439 838677615 /nfs/dbraw/zinc/67/76/15/838677615.db2.gz FDFXUAIVTGQVGF-NVXWUHKLSA-N 0 3 375.856 3.543 20 5 GHBDHN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000471530048 838755496 /nfs/dbraw/zinc/75/54/96/838755496.db2.gz QJDOSOPHLGOEBG-VCBZYWHSSA-N 0 3 387.505 3.883 20 5 GHBDHN CC1(C)C[C@@H](NCc2cccc(N3CCOCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000579741736 839875548 /nfs/dbraw/zinc/87/55/48/839875548.db2.gz YUSMEHBZMPPCRM-OAQYLSRUSA-N 0 3 381.476 3.944 20 5 GHBDHN CCOC(=O)C1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000473071673 840687744 /nfs/dbraw/zinc/68/77/44/840687744.db2.gz JLOYLBWXDORQNN-UHFFFAOYSA-N 0 3 388.395 3.959 20 5 GHBDHN COC(=O)COc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417311255 840709358 /nfs/dbraw/zinc/70/93/58/840709358.db2.gz OEBLCZYVILCMMP-HXUWFJFHSA-N 0 3 384.432 3.704 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1CN1CCOCC1)CCCC2 ZINC000417326283 840728741 /nfs/dbraw/zinc/72/87/41/840728741.db2.gz ROZVILDTJQHVCL-HSZRJFAPSA-N 0 3 395.503 3.984 20 5 GHBDHN Cc1cc(NCCNC(=O)c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2n1 ZINC000302139327 861216213 /nfs/dbraw/zinc/21/62/13/861216213.db2.gz DYFOAAJIJOAWFN-UHFFFAOYSA-N 0 3 384.823 3.947 20 5 GHBDHN Cc1cc(NCCCS(=O)(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302178576 861230425 /nfs/dbraw/zinc/23/04/25/861230425.db2.gz NKNBSOJDCDRICA-UHFFFAOYSA-N 0 3 385.445 3.727 20 5 GHBDHN COc1ccc(C[C@@H](C)CN(C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000121455749 842124586 /nfs/dbraw/zinc/12/45/86/842124586.db2.gz QXHAMFVLQWIHQL-MRXNPFEDSA-N 0 3 395.463 3.630 20 5 GHBDHN CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000569744267 842224177 /nfs/dbraw/zinc/22/41/77/842224177.db2.gz BBMPRYOYARUYQM-ZDUSSCGKSA-N 0 3 388.411 3.984 20 5 GHBDHN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCCC2 ZINC000610540466 842242366 /nfs/dbraw/zinc/24/23/66/842242366.db2.gz KFHHBVLKIYGPMS-ZWKOTPCHSA-N 0 3 376.453 3.679 20 5 GHBDHN CCc1oc2ccccc2c1CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610556456 842586941 /nfs/dbraw/zinc/58/69/41/842586941.db2.gz FLSVUFVMGBMJNC-MRXNPFEDSA-N 0 3 384.432 3.775 20 5 GHBDHN C[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC001126212937 842933367 /nfs/dbraw/zinc/93/33/67/842933367.db2.gz YLSRELUUORUJBR-HNNXBMFYSA-N 0 3 389.883 3.818 20 5 GHBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000278886577 843533361 /nfs/dbraw/zinc/53/33/61/843533361.db2.gz PUDAWLQYGFNSHR-KRWDZBQOSA-N 0 3 389.499 3.713 20 5 GHBDHN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000603941103 861427660 /nfs/dbraw/zinc/42/76/60/861427660.db2.gz LMDAPXQRXATINX-HXUWFJFHSA-N 0 3 385.439 3.547 20 5 GHBDHN COc1ccc(CN(C)CCOc2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000051709637 843588999 /nfs/dbraw/zinc/58/89/99/843588999.db2.gz OHZYBBDJCRVACJ-UHFFFAOYSA-N 0 3 382.363 3.716 20 5 GHBDHN Cc1c(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000481469867 861453630 /nfs/dbraw/zinc/45/36/30/861453630.db2.gz VWMXHPKLYHUATQ-SFHVURJKSA-N 0 3 385.439 3.571 20 5 GHBDHN CC1(C)C[C@@H](NCCN2CCc3ccccc3C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433067323 845153124 /nfs/dbraw/zinc/15/31/24/845153124.db2.gz KHIWMRHXJRUNPW-HXUWFJFHSA-N 0 3 379.460 3.605 20 5 GHBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433988790 845695226 /nfs/dbraw/zinc/69/52/26/845695226.db2.gz TXBWZVWGFPIABG-QGZVFWFLSA-N 0 3 399.495 3.644 20 5 GHBDHN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000502169411 847551171 /nfs/dbraw/zinc/55/11/71/847551171.db2.gz HNEOTJHVNMPNJU-UGSOOPFHSA-N 0 3 390.871 3.739 20 5 GHBDHN C[C@@H]1C[C@@]1(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000503377225 847651399 /nfs/dbraw/zinc/65/13/99/847651399.db2.gz NJQHDMUJSLALLA-XVSDVWIESA-N 0 3 376.840 3.513 20 5 GHBDHN NC(=O)C1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000158614103 847758956 /nfs/dbraw/zinc/75/89/56/847758956.db2.gz BMLNFCKQEQBQFK-UHFFFAOYSA-N 0 3 389.839 3.738 20 5 GHBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000472234863 847838854 /nfs/dbraw/zinc/83/88/54/847838854.db2.gz UBGNDLCWZUGFHL-CQSZACIVSA-N 0 3 397.298 3.723 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2cccc(C(F)(F)F)n2)c1 ZINC000582738525 848249240 /nfs/dbraw/zinc/24/92/40/848249240.db2.gz IBIOWDYCCWYARJ-UHFFFAOYSA-N 0 3 391.296 3.942 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514820597 848995782 /nfs/dbraw/zinc/99/57/82/848995782.db2.gz SFSPICBTTQIYOD-IEBWSBKVSA-N 0 3 393.846 3.931 20 5 GHBDHN CCN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986459 861982834 /nfs/dbraw/zinc/98/28/34/861982834.db2.gz TYMLTINBKHLRRP-UHFFFAOYSA-N 0 3 382.464 3.895 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCOCC(F)(F)C(F)F)o2)c1 ZINC000434797398 849777406 /nfs/dbraw/zinc/77/74/06/849777406.db2.gz XXELIVRLVUEKKO-UHFFFAOYSA-N 0 3 376.306 3.861 20 5 GHBDHN CNC(=O)c1ccc(S[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000425282577 850105309 /nfs/dbraw/zinc/10/53/09/850105309.db2.gz NQCOKCALTWJFGK-KRWDZBQOSA-N 0 3 385.489 3.711 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N(C)C)cc1 ZINC000121192663 862115001 /nfs/dbraw/zinc/11/50/01/862115001.db2.gz HEOORBGFNQSCBN-OAQYLSRUSA-N 0 3 396.491 3.880 20 5 GHBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000515071291 850665010 /nfs/dbraw/zinc/66/50/10/850665010.db2.gz CUOXERQPJPRGSS-VBKZILBWSA-N 0 3 395.459 3.590 20 5 GHBDHN CC1(C)C(=O)N[C@H]1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000578787625 851912811 /nfs/dbraw/zinc/91/28/11/851912811.db2.gz VJHFSSFGPGVZJR-IBGZPJMESA-N 0 3 383.448 3.591 20 5 GHBDHN CC(C)(C)N1CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000732567719 862361635 /nfs/dbraw/zinc/36/16/35/862361635.db2.gz ABQPVCFVKUYTTB-UHFFFAOYSA-N 0 3 390.362 3.832 20 5 GHBDHN Cc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000507101857 852559695 /nfs/dbraw/zinc/55/96/95/852559695.db2.gz JLUNHZOPRJQASU-UHFFFAOYSA-N 0 3 381.476 3.684 20 5 GHBDHN COc1cc(CN2CCN(C(C)C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506372518 852898884 /nfs/dbraw/zinc/89/88/84/852898884.db2.gz VYMOVFOUWJTLGL-UHFFFAOYSA-N 0 3 399.491 3.708 20 5 GHBDHN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)NCc1ccccc1Cl ZINC000490422912 853007936 /nfs/dbraw/zinc/00/79/36/853007936.db2.gz ZJLYCQGSDQHPCB-UHFFFAOYSA-N 0 3 387.867 3.919 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000509585974 853015211 /nfs/dbraw/zinc/01/52/11/853015211.db2.gz OLRCZPXOBXOHJV-RHSMWYFYSA-N 0 3 388.468 3.852 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000509585972 853015553 /nfs/dbraw/zinc/01/55/53/853015553.db2.gz OLRCZPXOBXOHJV-PBHICJAKSA-N 0 3 388.468 3.852 20 5 GHBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000437337166 853024463 /nfs/dbraw/zinc/02/44/63/853024463.db2.gz KYDQFUYVZOFKQG-KGLIPLIRSA-N 0 3 388.420 3.685 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490434609 853027860 /nfs/dbraw/zinc/02/78/60/853027860.db2.gz XTPYOYCCVYAYAX-KUHUBIRLSA-N 0 3 397.500 3.959 20 5 GHBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccccc1Cl ZINC000490832006 853280013 /nfs/dbraw/zinc/28/00/13/853280013.db2.gz ZVSWDCRVSCGJPO-UHFFFAOYSA-N 0 3 387.867 3.919 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000490964652 853375452 /nfs/dbraw/zinc/37/54/52/853375452.db2.gz BVHNCRHRGUGZHE-APWZRJJASA-N 0 3 396.491 3.792 20 5 GHBDHN CCOc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248375361 854711909 /nfs/dbraw/zinc/71/19/09/854711909.db2.gz WQBVLAZMSAUXDH-IEBWSBKVSA-N 0 3 386.448 3.570 20 5 GHBDHN C[C@H]1C[C@H]1N1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128282 855816518 /nfs/dbraw/zinc/81/65/18/855816518.db2.gz GUAZSCQOPNJNCY-KCQAQPDRSA-N 0 3 397.928 3.529 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000554641606 855930316 /nfs/dbraw/zinc/93/03/16/855930316.db2.gz LNFGVBLNOBXONT-UCNVEGJOSA-N 0 3 395.503 3.943 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000172311890 856397517 /nfs/dbraw/zinc/39/75/17/856397517.db2.gz NMBVIADUFXYQOE-QGZVFWFLSA-N 0 3 384.480 3.738 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000172710490 856557882 /nfs/dbraw/zinc/55/78/82/856557882.db2.gz YRZKNXQXHUSMKA-HXUWFJFHSA-N 0 3 385.464 3.725 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000482209440 862810770 /nfs/dbraw/zinc/81/07/70/862810770.db2.gz LBNAEDUNPBJKPX-TWOQFEAHSA-N 0 3 382.464 3.618 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CCOc1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 ZINC000592130711 856669273 /nfs/dbraw/zinc/66/92/73/856669273.db2.gz JTMZOHNTKRJHJS-WGSAOQKQSA-N 0 3 388.439 3.918 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(-n3cccn3)c2)cccc1[N+](=O)[O-] ZINC000173210045 856809210 /nfs/dbraw/zinc/80/92/10/856809210.db2.gz XCTSBCVFQQWKTP-JKSUJKDBSA-N 0 3 393.447 3.767 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173349904 856877578 /nfs/dbraw/zinc/87/75/78/856877578.db2.gz CELOXDOTZHMMSV-BLLLJJGKSA-N 0 3 384.354 3.704 20 5 GHBDHN CC(C)N(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000592694874 857028053 /nfs/dbraw/zinc/02/80/53/857028053.db2.gz OJOGJYWWYARHBC-FQEVSTJZSA-N 0 3 381.476 3.649 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000175022691 857422924 /nfs/dbraw/zinc/42/29/24/857422924.db2.gz QJPYUQHUGBUYBF-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN([C@@H](C)CC)CC2)cc1OC ZINC001170316052 881345493 /nfs/dbraw/zinc/34/54/93/881345493.db2.gz UZKARXHTLKGPFQ-IRXDYDNUSA-N 0 3 393.528 3.944 20 5 GHBDHN O=C(NC1CC1)c1ccc(CN(CCOc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000065533096 857652938 /nfs/dbraw/zinc/65/29/38/857652938.db2.gz HUZUOOCPNPPYOS-UHFFFAOYSA-N 0 3 395.459 3.530 20 5 GHBDHN CCCCN1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000067453075 858573045 /nfs/dbraw/zinc/57/30/45/858573045.db2.gz OQUBTJRDQGDUHL-NRFANRHFSA-N 0 3 394.475 3.928 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000575084828 858578811 /nfs/dbraw/zinc/57/88/11/858578811.db2.gz IEYITKUKWHNLHQ-OXQOHEQNSA-N 0 3 396.491 3.792 20 5 GHBDHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000595752506 858675435 /nfs/dbraw/zinc/67/54/35/858675435.db2.gz LRZLKQHRDLBXBJ-KRWDZBQOSA-N 0 3 387.411 3.908 20 5 GHBDHN O=c1[n-]ccc(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596123657 858785213 /nfs/dbraw/zinc/78/52/13/858785213.db2.gz YXUYZIFVLXMGMY-UHFFFAOYSA-N 0 3 384.480 3.842 20 5 GHBDHN CC(C)N(C)Cc1cc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)ccn1 ZINC000856535456 881345974 /nfs/dbraw/zinc/34/59/74/881345974.db2.gz ZFKGVEUBFQVNDA-KRWDZBQOSA-N 0 3 388.443 3.627 20 5 GHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(CC)CC ZINC000429348679 859109453 /nfs/dbraw/zinc/10/94/53/859109453.db2.gz KSTMCIOGUQPOBP-FSPWUOQZSA-N 0 3 393.484 3.504 20 5 GHBDHN Cn1cc(CN2CC[C@@H](Oc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597228265 859363274 /nfs/dbraw/zinc/36/32/74/859363274.db2.gz LAVGGGYFOKPRCW-HXUWFJFHSA-N 0 3 378.432 3.649 20 5 GHBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611212155 859645573 /nfs/dbraw/zinc/64/55/73/859645573.db2.gz VODSLUFAKLYMDV-ACJLOTCBSA-N 0 3 389.521 3.842 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](n4ccnc4)C3)o2)c([N+](=O)[O-])c1 ZINC000611268160 859673802 /nfs/dbraw/zinc/67/38/02/859673802.db2.gz XGFAKYWGYDSLMF-OAHLLOKOSA-N 0 3 382.420 3.897 20 5 GHBDHN COC[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000611396682 859736709 /nfs/dbraw/zinc/73/67/09/859736709.db2.gz FRRTXDRAELXZCI-OAHLLOKOSA-N 0 3 384.354 3.970 20 5 GHBDHN COC[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000611396761 859736726 /nfs/dbraw/zinc/73/67/26/859736726.db2.gz JMLOSNRMNIOAIM-QGZVFWFLSA-N 0 3 384.354 3.970 20 5 GHBDHN CC(=O)Nc1ccc(CCNCc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC000602538475 860086088 /nfs/dbraw/zinc/08/60/88/860086088.db2.gz MGETYLAYQMWEKK-UHFFFAOYSA-N 0 3 398.282 3.710 20 5 GHBDHN COc1ccc(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)cc1OC(F)F ZINC000602528097 860099610 /nfs/dbraw/zinc/09/96/10/860099610.db2.gz OZVUZTOUJOLRHI-UHFFFAOYSA-N 0 3 393.346 3.678 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1C ZINC000895992872 860224217 /nfs/dbraw/zinc/22/42/17/860224217.db2.gz ABKYRWIWAGHEJL-INIZCTEOSA-N 0 3 387.505 3.915 20 5 GHBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000598342729 860232233 /nfs/dbraw/zinc/23/22/33/860232233.db2.gz PQZROCFTMWKWTB-CQSZACIVSA-N 0 3 377.510 3.844 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000552257856 860412471 /nfs/dbraw/zinc/41/24/71/860412471.db2.gz ZRAWVTSRULBHJQ-SLYNCCJLSA-N 0 3 397.475 3.783 20 5 GHBDHN C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552334951 860511719 /nfs/dbraw/zinc/51/17/19/860511719.db2.gz DFRFPVKYSBBWPX-CHWSQXEVSA-N 0 3 394.518 3.940 20 5 GHBDHN C[C@@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185488393 860522810 /nfs/dbraw/zinc/52/28/10/860522810.db2.gz ILLOUQVJVLEDGF-MRXNPFEDSA-N 0 3 399.466 3.960 20 5 GHBDHN CCC1(N2CCOCC2)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000599186685 860889673 /nfs/dbraw/zinc/88/96/73/860889673.db2.gz JVZURHCPJAOBEJ-UHFFFAOYSA-N 0 3 387.402 3.695 20 5 GHBDHN Cc1c(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000480071673 863996833 /nfs/dbraw/zinc/99/68/33/863996833.db2.gz WNRQLLPIJJFILL-HXUWFJFHSA-N 0 3 396.491 3.709 20 5 GHBDHN C[C@@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000475128501 864267721 /nfs/dbraw/zinc/26/77/21/864267721.db2.gz IKROHYRQUJPGMP-OXQOHEQNSA-N 0 3 382.464 3.572 20 5 GHBDHN C[C@@H](C[S@@](C)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000184259153 864286031 /nfs/dbraw/zinc/28/60/31/864286031.db2.gz ALWWKPGEZSLOHZ-UOXLDJKESA-N 0 3 382.869 3.897 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000740772174 866001559 /nfs/dbraw/zinc/00/15/59/866001559.db2.gz SBSKLZIAZCRUBW-MRXNPFEDSA-N 0 3 384.505 3.888 20 5 GHBDHN CCCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740882847 866073606 /nfs/dbraw/zinc/07/36/06/866073606.db2.gz LLYKJFDDSYYZOI-VHSSKADRSA-N 0 3 395.887 3.712 20 5 GHBDHN C[C@H](C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185493367 866146851 /nfs/dbraw/zinc/14/68/51/866146851.db2.gz CASQXXWEOCVQKJ-ZOBUZTSGSA-N 0 3 385.439 3.617 20 5 GHBDHN CC(C)(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000523484714 867382429 /nfs/dbraw/zinc/38/24/29/867382429.db2.gz BZLAZSIYXXQZLF-FQEVSTJZSA-N 0 3 381.476 3.826 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000444924387 867471199 /nfs/dbraw/zinc/47/11/99/867471199.db2.gz RUQDMESEFOOTDM-GOSISDBHSA-N 0 3 384.436 3.562 20 5 GHBDHN C[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000743036603 867769489 /nfs/dbraw/zinc/76/94/89/867769489.db2.gz NXXMAIJRPCLXQD-MRXNPFEDSA-N 0 3 384.505 3.888 20 5 GHBDHN COc1ccc(NC(=O)CCN(C)Cc2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000534966298 867840919 /nfs/dbraw/zinc/84/09/19/867840919.db2.gz MGRRUNHBTXIYKV-UHFFFAOYSA-N 0 3 395.818 3.857 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000553818629 868246635 /nfs/dbraw/zinc/24/66/35/868246635.db2.gz BCDGMGAYTNEZIO-XLIONFOSSA-N 0 3 396.491 3.614 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000487512268 868390810 /nfs/dbraw/zinc/39/08/10/868390810.db2.gz SSSNKNWIVAHINY-HNNXBMFYSA-N 0 3 387.505 3.957 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000524201448 868696651 /nfs/dbraw/zinc/69/66/51/868696651.db2.gz NCMRWTGDFNGGHA-GDBMZVCRSA-N 0 3 378.432 3.641 20 5 GHBDHN COc1ccc(CN2CCC3(CCO3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000548875718 869220973 /nfs/dbraw/zinc/22/09/73/869220973.db2.gz CZTILYJYRAVOHE-UHFFFAOYSA-N 0 3 398.459 3.937 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793606386 882312903 /nfs/dbraw/zinc/31/29/03/882312903.db2.gz UFFMLJWEFCUPCR-FQEVSTJZSA-N 0 3 375.469 3.736 20 5 GHBDHN COc1ccc([C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)N(C)C)cc1OC ZINC000121676855 870272517 /nfs/dbraw/zinc/27/25/17/870272517.db2.gz OQGXWUMPBLQDPC-OAHLLOKOSA-N 0 3 381.379 3.605 20 5 GHBDHN COc1ccc(CN2CC[C@@H](O)C2(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462878189 870278113 /nfs/dbraw/zinc/27/81/13/870278113.db2.gz SQHCYCFQUHZFSX-HXUWFJFHSA-N 0 3 386.448 3.528 20 5 GHBDHN C[C@H](C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617736176 870839093 /nfs/dbraw/zinc/83/90/93/870839093.db2.gz MTBKZXAQRWDHFH-MSOLQXFVSA-N 0 3 381.476 3.821 20 5 GHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000016259311 870964521 /nfs/dbraw/zinc/96/45/21/870964521.db2.gz MOXPBLUVNRPZHW-LJQANCHMSA-N 0 3 385.489 3.640 20 5 GHBDHN CCOc1ccc([C@H](C)NCCNC(=O)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000539083784 871226405 /nfs/dbraw/zinc/22/64/05/871226405.db2.gz JXCLAUNLKGWOKM-HNNXBMFYSA-N 0 3 377.485 3.731 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000181872584 871583025 /nfs/dbraw/zinc/58/30/25/871583025.db2.gz QUDVPSIMARDKDW-MRXNPFEDSA-N 0 3 382.464 3.793 20 5 GHBDHN CCC(C)(C)N1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001195630878 872521408 /nfs/dbraw/zinc/52/14/08/872521408.db2.gz ORMWXKIXIRFBSD-UHFFFAOYSA-N 0 3 393.875 3.604 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H]([C@@H]3CCOC3)C2)cc1OC ZINC000541058624 872813559 /nfs/dbraw/zinc/81/35/59/872813559.db2.gz UIECJWQRUCFTAE-YESZJQIVSA-N 0 3 392.496 3.887 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000921143154 882655312 /nfs/dbraw/zinc/65/53/12/882655312.db2.gz JXVPRVKSNNTJEB-UHFFFAOYSA-N 0 3 386.521 3.788 20 5 GHBDHN COCCN(CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000478414932 872970360 /nfs/dbraw/zinc/97/03/60/872970360.db2.gz GCAUFBPOZRKXOV-CYBMUJFWSA-N 0 3 386.374 3.520 20 5 GHBDHN COc1cc(CNC[C@@H]2CCCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC000541555158 873859261 /nfs/dbraw/zinc/85/92/61/873859261.db2.gz OTSXFLVOPVONCR-LBPRGKRZSA-N 0 3 376.425 3.623 20 5 GHBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000491974467 876071806 /nfs/dbraw/zinc/07/18/06/876071806.db2.gz BSKHQUJCQAGKSA-FOIQADDNSA-N 0 3 396.447 3.945 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000450790078 876892652 /nfs/dbraw/zinc/89/26/52/876892652.db2.gz XNHCVWNZGPOIEM-UHFFFAOYSA-N 0 3 398.463 3.638 20 5 GHBDHN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000192721914 877273549 /nfs/dbraw/zinc/27/35/49/877273549.db2.gz DTUPDTQOWBLECN-UHFFFAOYSA-N 0 3 399.447 3.562 20 5 GHBDHN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192739765 877509496 /nfs/dbraw/zinc/50/94/96/877509496.db2.gz WRDZNHCTILEOQW-TWOQFEAHSA-N 0 3 383.448 3.679 20 5 GHBDHN COc1cc(CN2CCC[C@H]2Cn2c(C)nc3ccccc32)ccc1[N+](=O)[O-] ZINC000492781297 877536596 /nfs/dbraw/zinc/53/65/96/877536596.db2.gz BRIVEPNDUKMMPS-KRWDZBQOSA-N 0 3 380.448 3.926 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000152390984 877987769 /nfs/dbraw/zinc/98/77/69/877987769.db2.gz LAZNKIFWWMFEAH-JOCHJYFZSA-N 0 3 378.428 3.997 20 5 GHBDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2cccc([N+](=O)[O-])c2Br)cn1 ZINC000852562018 878424185 /nfs/dbraw/zinc/42/41/85/878424185.db2.gz ZFADQNAWMUOQLN-HIFRSBDPSA-N 0 3 393.285 3.592 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000494025234 879834934 /nfs/dbraw/zinc/83/49/34/879834934.db2.gz AIDWTXQYPULMCF-UWJYYQICSA-N 0 3 396.491 3.566 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494069002 879892111 /nfs/dbraw/zinc/89/21/11/879892111.db2.gz MALLAPNXMQBZPZ-PBHICJAKSA-N 0 3 387.867 3.949 20 5 GHBDHN Cc1c(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000790995669 880123519 /nfs/dbraw/zinc/12/35/19/880123519.db2.gz ADKBZCPSWSFHDU-UHFFFAOYSA-N 0 3 381.392 3.502 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000746983508 880227293 /nfs/dbraw/zinc/22/72/93/880227293.db2.gz IFMKFVOHJPKDEE-UHFFFAOYSA-N 0 3 398.459 3.949 20 5 GHBDHN C[C@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2sccc21 ZINC000453189945 880594928 /nfs/dbraw/zinc/59/49/28/880594928.db2.gz DYPDHHDNGRISBA-LRDDRELGSA-N 0 3 380.491 3.658 20 5 GHBDHN CCCN(Cn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCc2ccccc2C1 ZINC000919951668 881240364 /nfs/dbraw/zinc/24/03/64/881240364.db2.gz SFOIQJRUHZLWJV-KRWDZBQOSA-N 0 3 381.432 3.730 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H](c1cccs1)N(C)C ZINC000609849299 883727383 /nfs/dbraw/zinc/72/73/83/883727383.db2.gz IUMOXCDRIAUZIL-AWEZNQCLSA-N 0 3 381.429 3.687 20 5 GHBDHN O=C(NCC1(N2CCSCC2)CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609859530 883740079 /nfs/dbraw/zinc/74/00/79/883740079.db2.gz FNJDDOIWCFAWQQ-UHFFFAOYSA-N 0 3 397.928 3.730 20 5 GHBDHN CC(C)(CNC(=S)Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000914562659 884162457 /nfs/dbraw/zinc/16/24/57/884162457.db2.gz YQYNDTKCQKCLAE-UHFFFAOYSA-N 0 3 384.505 3.718 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccccc1Cl ZINC000026227437 884193109 /nfs/dbraw/zinc/19/31/09/884193109.db2.gz WPASXSRDECNEIL-GFCCVEGCSA-N 0 3 377.828 3.936 20 5 GHBDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000495369173 885540123 /nfs/dbraw/zinc/54/01/23/885540123.db2.gz ONJCNBLOHDYCLK-XHDPSFHLSA-N 0 3 384.274 3.806 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000807683239 885632901 /nfs/dbraw/zinc/63/29/01/885632901.db2.gz XOSVGTAMCZSANQ-WFASDCNBSA-N 0 3 381.379 3.525 20 5 GHBDHN COc1ccc([C@H](NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193344673 885656258 /nfs/dbraw/zinc/65/62/58/885656258.db2.gz BAZWEWWXULGRHL-LJQANCHMSA-N 0 3 389.839 3.936 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000193580876 886855754 /nfs/dbraw/zinc/85/57/54/886855754.db2.gz DOGOQKKAHBZMMS-IBGZPJMESA-N 0 3 382.464 3.573 20 5 GHBDHN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487986347 887162193 /nfs/dbraw/zinc/16/21/93/887162193.db2.gz HOMAFSPIUXFVNK-GXTWGEPZSA-N 0 3 388.411 3.842 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000154206576 890280345 /nfs/dbraw/zinc/28/03/45/890280345.db2.gz TUILISWWFAAYBH-GOSISDBHSA-N 0 3 399.274 3.820 20 5 GHBDHN COc1ccccc1[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])N1CCCCC1 ZINC000917090217 891085091 /nfs/dbraw/zinc/08/50/91/891085091.db2.gz AINBWOASFXXKFK-KRWDZBQOSA-N 0 3 395.463 3.890 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000497371009 891304183 /nfs/dbraw/zinc/30/41/83/891304183.db2.gz YATZWCSXOQIJJY-GOSISDBHSA-N 0 3 396.472 3.751 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813379543 891564233 /nfs/dbraw/zinc/56/42/33/891564233.db2.gz YKXZYVJSHRMIIC-UHFFFAOYSA-N 0 3 382.247 3.893 20 5 GHBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000813522640 891707010 /nfs/dbraw/zinc/70/70/10/891707010.db2.gz ZDITWGGCQPHYAN-HRAATJIYSA-N 0 3 396.491 3.616 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000536831154 893940311 /nfs/dbraw/zinc/94/03/11/893940311.db2.gz GCXAHQOMRXIYFR-MSOLQXFVSA-N 0 3 399.516 3.856 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000537298125 894725966 /nfs/dbraw/zinc/72/59/66/894725966.db2.gz CJWFAAKVMKYORT-IBGZPJMESA-N 0 3 397.475 3.625 20 5 GHBDHN Cc1cc(C)nc(NCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000564411468 894949743 /nfs/dbraw/zinc/94/97/43/894949743.db2.gz VOCFDGZWISCVDO-UHFFFAOYSA-N 0 3 383.189 3.823 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099948 895513073 /nfs/dbraw/zinc/51/30/73/895513073.db2.gz ZDEVNHOSJTZQCS-GFCCVEGCSA-N 0 3 396.369 3.996 20 5 GHBDHN O=C(Nc1cccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1)C1CCCCC1 ZINC000818979576 896300421 /nfs/dbraw/zinc/30/04/21/896300421.db2.gz QGOWXWRVPQPLBB-NRFANRHFSA-N 0 3 397.475 3.937 20 5 GHBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)c2cc(F)ccc2F)cc(C(F)(F)F)c1 ZINC000819269177 896554560 /nfs/dbraw/zinc/55/45/60/896554560.db2.gz DKIPTOLYCJIYNY-OAHLLOKOSA-N 0 3 376.281 3.715 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263325 900058286 /nfs/dbraw/zinc/05/82/86/900058286.db2.gz PZRRKGXJHNEXME-ZBFHGGJFSA-N 0 3 393.484 3.777 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825263321 900058426 /nfs/dbraw/zinc/05/84/26/900058426.db2.gz PZRRKGXJHNEXME-GOEBONIOSA-N 0 3 393.484 3.777 20 5 GHBDHN O=C1CCCN1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000093087704 901527502 /nfs/dbraw/zinc/52/75/02/901527502.db2.gz AJECDUILDMCHQO-UHFFFAOYSA-N 0 3 385.489 3.910 20 5 GHBDHN COc1ccc(C(C)=O)cc1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873914 902478248 /nfs/dbraw/zinc/47/82/48/902478248.db2.gz XQLPWWCISJQPFK-MPBGBICISA-N 0 3 389.379 3.529 20 5 GHBDHN COc1ccc(C(C)=O)cc1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873910 902478281 /nfs/dbraw/zinc/47/82/81/902478281.db2.gz XQLPWWCISJQPFK-FKIZINRSSA-N 0 3 389.379 3.529 20 5 GHBDHN Cc1nn(C(F)F)c(C)c1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876910 902480917 /nfs/dbraw/zinc/48/09/17/902480917.db2.gz RABJTEDTHWKYKP-ZBEGNZNMSA-N 0 3 385.342 3.526 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1F)[N+](=O)[O-] ZINC000845881150 902485391 /nfs/dbraw/zinc/48/53/91/902485391.db2.gz YJPZNPIKSXJCGP-APPDUMDISA-N 0 3 386.379 3.619 20 5 GHBDHN Cc1nn(C(C)C)c(C)c1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883456 902486573 /nfs/dbraw/zinc/48/65/73/902486573.db2.gz SNUFHYMWIIBLSV-LIRRHRJNSA-N 0 3 377.416 3.712 20 5 GHBDHN CN1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)C2)C1 ZINC001186565343 914637389 /nfs/dbraw/zinc/63/73/89/914637389.db2.gz PEYQELAJFTUJIH-JOCHJYFZSA-N 0 3 379.460 3.748 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](Nc3ncccn3)C2)s1 ZINC000578508112 903916547 /nfs/dbraw/zinc/91/65/47/903916547.db2.gz WBRAPDQYHUVPPO-CQSZACIVSA-N 0 3 381.461 3.800 20 5 GHBDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(=O)oc3ccc4ccccc4c13)CC2 ZINC000152791966 904301026 /nfs/dbraw/zinc/30/10/26/904301026.db2.gz JYFMUXGZYICHQT-NHCUHLMSSA-N 0 3 393.483 3.698 20 5 GHBDHN O=[N+]([O-])c1cc2c(cc1NCCc1ccc(OCc3ccccn3)cc1)CNC2 ZINC001171425655 904579758 /nfs/dbraw/zinc/57/97/58/904579758.db2.gz IVFLROPBNQJWEF-UHFFFAOYSA-N 0 3 390.443 3.827 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCc1nnc2n1CCCCC2 ZINC000290907986 914865953 /nfs/dbraw/zinc/86/59/53/914865953.db2.gz OVBHDOGNZXHVNH-UHFFFAOYSA-N 0 3 384.267 3.552 20 5 GHBDHN COC(=O)c1cccc2c1CN([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172918728 905988941 /nfs/dbraw/zinc/98/89/41/905988941.db2.gz CDLLLOBZDSTPCB-SFHVURJKSA-N 0 3 380.444 3.687 20 5 GHBDHN Cc1ccc(C(=O)CNC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001173007237 906082247 /nfs/dbraw/zinc/08/22/47/906082247.db2.gz GJWDDHMLMVWZCN-UHFFFAOYSA-N 0 3 389.402 3.623 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000177365102 906118247 /nfs/dbraw/zinc/11/82/47/906118247.db2.gz HBMOJICBJZSXHY-UHFFFAOYSA-N 0 3 386.408 3.742 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cccc(OC3CCC3)n2)c1F ZINC001173182726 906262562 /nfs/dbraw/zinc/26/25/62/906262562.db2.gz SZLCOJRQJBIJDQ-CYBMUJFWSA-N 0 3 389.427 3.790 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001173230752 906314247 /nfs/dbraw/zinc/31/42/47/906314247.db2.gz FKPORIRBLYHJPN-CVEARBPZSA-N 0 3 377.485 3.857 20 5 GHBDHN CC[C@H](N[C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178462534 906346291 /nfs/dbraw/zinc/34/62/91/906346291.db2.gz OROQAVRZPAGNFK-ACJLOTCBSA-N 0 3 377.466 3.768 20 5 GHBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000178461923 906346444 /nfs/dbraw/zinc/34/64/44/906346444.db2.gz KHAHTHXIAKYTIJ-KGLIPLIRSA-N 0 3 377.466 3.687 20 5 GHBDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180650870 906809061 /nfs/dbraw/zinc/80/90/61/906809061.db2.gz VZGQRWRXGPGTLQ-QRWLVFNGSA-N 0 3 396.447 3.534 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)cc2c1OCC2 ZINC001180686968 910304804 /nfs/dbraw/zinc/30/48/04/910304804.db2.gz KREKFKQDONKRNH-GFCCVEGCSA-N 0 3 389.839 3.690 20 5 GHBDHN O=C(CCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303777149 915113940 /nfs/dbraw/zinc/11/39/40/915113940.db2.gz RTUKDAQQUFWRNS-INIZCTEOSA-N 0 3 399.422 3.657 20 5 GHBDHN CN1CCC[C@]2(CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)C1 ZINC000294329751 916741376 /nfs/dbraw/zinc/74/13/76/916741376.db2.gz XJZNUUOVJQKBSL-QHCPKHFHSA-N 0 3 375.472 3.652 20 5 GHBDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000295600600 917376120 /nfs/dbraw/zinc/37/61/20/917376120.db2.gz CUJUAWROZDWBOA-KGLIPLIRSA-N 0 3 387.436 3.680 20 5 GHBDHN CN(C)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000113311257 919367076 /nfs/dbraw/zinc/36/70/76/919367076.db2.gz OZNYOASPHGDJCK-HXUWFJFHSA-N 0 3 396.516 3.981 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000117334707 919537342 /nfs/dbraw/zinc/53/73/42/919537342.db2.gz RSMPWSAKSSZFRW-KRWDZBQOSA-N 0 3 385.395 3.869 20 5 GHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccsc1 ZINC000298790273 920930543 /nfs/dbraw/zinc/93/05/43/920930543.db2.gz RTKCMOYHVFTFMC-GOSISDBHSA-N 0 3 388.493 3.607 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000827867021 926118528 /nfs/dbraw/zinc/11/85/28/926118528.db2.gz SGGYFPNGEKZEHZ-CQSZACIVSA-N 0 3 375.856 3.807 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000467042796 928631063 /nfs/dbraw/zinc/63/10/63/928631063.db2.gz CKOYUGOUQJTWDF-VQIMIIECSA-N 0 3 381.476 3.652 20 5 GHBDHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000544519535 929254306 /nfs/dbraw/zinc/25/43/06/929254306.db2.gz VMXCRPFSBQMKPJ-ZKTNFTSUSA-N 0 3 389.839 3.730 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470127874 930392621 /nfs/dbraw/zinc/39/26/21/930392621.db2.gz GEIPWOJHVOKCOH-HNNXBMFYSA-N 0 3 386.427 3.862 20 5 GHBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1OC ZINC000759599080 930420277 /nfs/dbraw/zinc/42/02/77/930420277.db2.gz DJBVHLAHYPAKTN-HFBAOOFYSA-N 0 3 383.876 3.759 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccccc1SC ZINC000471004379 931088666 /nfs/dbraw/zinc/08/86/66/931088666.db2.gz CQDIBNGNJFFILX-UHFFFAOYSA-N 0 3 389.477 3.786 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC000557930450 931760145 /nfs/dbraw/zinc/76/01/45/931760145.db2.gz JQBZWNMPSTUGTF-DNVCBOLYSA-N 0 3 390.443 3.536 20 5 GHBDHN C/C(=C\C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000784074108 931775928 /nfs/dbraw/zinc/77/59/28/931775928.db2.gz RSWGUUOWKVRERO-UEBLJOKOSA-N 0 3 379.460 3.731 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cc(Br)ccc2F)n1 ZINC000559879613 932919330 /nfs/dbraw/zinc/91/93/30/932919330.db2.gz YVYXWJVMMGQUGU-LSDHHAIUSA-N 0 3 397.248 3.966 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccsc1 ZINC001116155756 933367964 /nfs/dbraw/zinc/36/79/64/933367964.db2.gz HIYKZTIPRMGRMR-GOSISDBHSA-N 0 3 388.493 3.765 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000468636292 1015863812 /nfs/dbraw/zinc/86/38/12/1015863812.db2.gz ZBQMJPPBRRVCRW-NIHHCSOHSA-N 0 3 395.459 3.905 20 5 GHBDHN CCNc1ccc(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000545475390 1015914249 /nfs/dbraw/zinc/91/42/49/1015914249.db2.gz NLMGATTWUHKWTO-IBGZPJMESA-N 0 3 396.491 3.763 20 5 GHBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000545550529 1016024016 /nfs/dbraw/zinc/02/40/16/1016024016.db2.gz YIKRGLIQOBJPAR-WMZOPIPTSA-N 0 3 380.828 3.792 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001226890275 1032179089 /nfs/dbraw/zinc/17/90/89/1032179089.db2.gz MESXDSWDZLITLV-FQEVSTJZSA-N 0 3 398.507 3.593 20 5 GHBDHN COC(=O)c1cccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1[N+](=O)[O-] ZINC001227898143 1032676677 /nfs/dbraw/zinc/67/66/77/1032676677.db2.gz YVIRGBZNACFXKT-LFUKPOHLSA-N 0 3 396.443 3.671 20 5 GHBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000561427284 1017855271 /nfs/dbraw/zinc/85/52/71/1017855271.db2.gz GWLOMJIVIYCSJM-HNNXBMFYSA-N 0 3 399.441 3.564 20 5 GHBDHN O=C(Cc1ccccc1)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000802658315 1021516559 /nfs/dbraw/zinc/51/65/59/1021516559.db2.gz UGPDKXRSMDFHOW-QGZVFWFLSA-N 0 3 387.867 3.572 20 5 GHBDHN C[C@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001204652386 1033014543 /nfs/dbraw/zinc/01/45/43/1033014543.db2.gz XKDZZBBGSWPCRM-CQSZACIVSA-N 0 3 394.397 3.934 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000754272608 1022575604 /nfs/dbraw/zinc/57/56/04/1022575604.db2.gz VJRZDNPFIYETSB-SSZFMOIBSA-N 0 3 385.439 3.728 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1Cl ZINC000836673263 1023237898 /nfs/dbraw/zinc/23/78/98/1023237898.db2.gz MYYFVTWEVYHYHA-AWEZNQCLSA-N 0 3 375.856 3.807 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1Cl ZINC000836780758 1023362402 /nfs/dbraw/zinc/36/24/02/1023362402.db2.gz IDTPTZZIGMJMIL-CQSZACIVSA-N 0 3 375.856 3.807 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)N(C)C)cc1 ZINC000756933720 1023873493 /nfs/dbraw/zinc/87/34/93/1023873493.db2.gz HTDGAKPXONQRCS-GOSISDBHSA-N 0 3 390.871 3.659 20 5 GHBDHN COc1ccc(OC)c([C@H](O)CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000831539720 1024630873 /nfs/dbraw/zinc/63/08/73/1024630873.db2.gz VKJNVHVSESSOKV-OXJNMPFZSA-N 0 3 386.448 3.525 20 5 GHBDHN CC(=O)NCc1nnn2c1CN(Cc1c3ccccc3cc3ccccc31)CCC2 ZINC001141724664 1026349217 /nfs/dbraw/zinc/34/92/17/1026349217.db2.gz NSSQFVNPCPHMFM-UHFFFAOYSA-N 0 3 399.498 3.627 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)N2CCCC2)cc1 ZINC001142709043 1029306689 /nfs/dbraw/zinc/30/66/89/1029306689.db2.gz OXWMYWHDQBLVQY-NRFANRHFSA-N 0 3 397.475 3.544 20 5 GHBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC001216902165 1029989962 /nfs/dbraw/zinc/98/99/62/1029989962.db2.gz LXZMCKQDFBNYQG-UHFFFAOYSA-N 0 3 396.403 3.550 20 5 GHBDHN c1cnc2c(c1)ccc1ccc(-c3noc(-c4nc5c(s4)CNCC5)n3)nc12 ZINC001217542683 1030479402 /nfs/dbraw/zinc/47/94/02/1030479402.db2.gz WCBKMMPZAGNRNF-UHFFFAOYSA-N 0 3 386.440 3.602 20 5 GHBDHN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCN(c2ccnc3ccccc32)CC1 ZINC001157614039 1033691716 /nfs/dbraw/zinc/69/17/16/1033691716.db2.gz XKMNBCXXWYIVOB-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001207644618 1034505921 /nfs/dbraw/zinc/50/59/21/1034505921.db2.gz CZBNPYTWQZSNMM-QWHCGFSZSA-N 0 3 390.440 3.519 20 5 GHBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001159592472 1034683632 /nfs/dbraw/zinc/68/36/32/1034683632.db2.gz VKWWLLPTSGNJME-QMMMGPOBSA-N 0 3 379.207 3.564 20 5 GHBDHN O=[N+]([O-])c1cnc(NCC2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC001161242916 1035189888 /nfs/dbraw/zinc/18/98/88/1035189888.db2.gz JGPNFOPPROTDCC-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN Cc1cccc(N2CCN(C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)c1 ZINC001254476288 1040262679 /nfs/dbraw/zinc/26/26/79/1040262679.db2.gz NDNMACZXOZWXAZ-UHFFFAOYSA-N 0 3 380.492 3.694 20 5 GHBDHN CCCCCCOC(=O)CCC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539308 1040310727 /nfs/dbraw/zinc/31/07/27/1040310727.db2.gz CWVYAESDYBEDCN-INIZCTEOSA-N 0 3 378.469 3.588 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001254554193 1040323293 /nfs/dbraw/zinc/32/32/93/1040323293.db2.gz ANEVYFWBIUKZNW-XLIONFOSSA-N 0 3 393.487 3.664 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254563846 1040338496 /nfs/dbraw/zinc/33/84/96/1040338496.db2.gz FCHQDQYNZXUTLD-NUJGCVRESA-N 0 3 389.496 3.857 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001254563534 1040339049 /nfs/dbraw/zinc/33/90/49/1040339049.db2.gz YDPFTQJNKMNLFR-HZPDHXFCSA-N 0 3 377.485 3.763 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(N(C)C(=O)c2ccccc2)CC1 ZINC001254569992 1040346385 /nfs/dbraw/zinc/34/63/85/1040346385.db2.gz LRYXTQAMFZKCQD-QGZVFWFLSA-N 0 3 381.476 3.762 20 5 GHBDHN CCNC(=O)C1(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCC1 ZINC001255754164 1041274020 /nfs/dbraw/zinc/27/40/20/1041274020.db2.gz CDIQFJLNMJEOJP-UHFFFAOYSA-N 0 3 391.855 3.904 20 5 GHBDHN COc1c(C(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC001288424935 1049086632 /nfs/dbraw/zinc/08/66/32/1049086632.db2.gz NRXXOPUZNYNFQP-SFHVURJKSA-N 0 3 397.475 3.730 20 5 GHBDHN CCC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1CCOC ZINC001307592604 1049430739 /nfs/dbraw/zinc/43/07/39/1049430739.db2.gz OYXBPXBCPUZLHL-HNNXBMFYSA-N 0 3 390.311 3.834 20 5 GHBDHN CCCN(CCc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001307661034 1049485370 /nfs/dbraw/zinc/48/53/70/1049485370.db2.gz NIXWFOLVJDKCKL-AWEZNQCLSA-N 0 3 391.493 3.947 20 5 GHBDHN CCCN(CCc1cccs1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001307661035 1049485850 /nfs/dbraw/zinc/48/58/50/1049485850.db2.gz NIXWFOLVJDKCKL-CQSZACIVSA-N 0 3 391.493 3.947 20 5 GHBDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001307893047 1049671650 /nfs/dbraw/zinc/67/16/50/1049671650.db2.gz DOUGUJDWLLNLCE-GVDBMIGSSA-N 0 3 398.463 3.986 20 5 GHBDHN CC(C)CSCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC001308360907 1049958630 /nfs/dbraw/zinc/95/86/30/1049958630.db2.gz MKZVWFDKFUVKEO-UHFFFAOYSA-N 0 3 394.278 3.678 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001454409360 1061768372 /nfs/dbraw/zinc/76/83/72/1061768372.db2.gz VJIDXFTZLLZHPD-HNAYVOBHSA-N 0 3 392.459 3.717 20 5 GHBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001435209156 1062390170 /nfs/dbraw/zinc/39/01/70/1062390170.db2.gz ZZYKIRGQLNLZOE-MRXNPFEDSA-N 0 3 385.439 3.779 20 5 GHBDHN COc1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001347522503 1062464536 /nfs/dbraw/zinc/46/45/36/1062464536.db2.gz QQJDYMRBKIFBAX-INIZCTEOSA-N 0 3 398.463 3.589 20 5 GHBDHN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC001458044032 1063524205 /nfs/dbraw/zinc/52/42/05/1063524205.db2.gz GGKIZFBRUDVLGP-HNNXBMFYSA-N 0 3 382.851 3.905 20 5 GHBDHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H](CN1CCCC1)c1ccccc1 ZINC001458062553 1063538222 /nfs/dbraw/zinc/53/82/22/1063538222.db2.gz NYPUAVMUWNCKPD-CYBMUJFWSA-N 0 3 383.374 3.596 20 5 GHBDHN CC(C)N(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001437030140 1063744881 /nfs/dbraw/zinc/74/48/81/1063744881.db2.gz NUYAWNFQIQPQKN-HXUWFJFHSA-N 0 3 399.466 3.788 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)o1 ZINC001460035939 1064364192 /nfs/dbraw/zinc/36/41/92/1064364192.db2.gz BGGYKAMKVFXJEO-YXJHDRRASA-N 0 3 386.452 3.550 20 5 GHBDHN CN(CCN1CCCCC1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001300155598 1065490883 /nfs/dbraw/zinc/49/08/83/1065490883.db2.gz UJIGGBJPASMFSN-UHFFFAOYSA-N 0 3 397.475 3.732 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001466997731 1066435893 /nfs/dbraw/zinc/43/58/93/1066435893.db2.gz PAGWDAQSYPQECH-GOSISDBHSA-N 0 3 398.463 3.780 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001470776325 1072732412 /nfs/dbraw/zinc/73/24/12/1072732412.db2.gz GYLFFPHPPXJDHL-YWZLYKJASA-N 0 3 381.476 3.852 20 5 GHBDHN Cc1ccc(CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001471083600 1072916053 /nfs/dbraw/zinc/91/60/53/1072916053.db2.gz QWQSZEIDSDDCAU-SFHVURJKSA-N 0 3 396.491 3.709 20 5 GHBDHN C[C@H]1CN(CCCCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC001472731132 1073640833 /nfs/dbraw/zinc/64/08/33/1073640833.db2.gz PWFQSUOWPDLGEJ-KBPBESRZSA-N 0 3 392.887 3.520 20 5 GHBDHN CCC1(N2CCOCC2)CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001472846318 1073690775 /nfs/dbraw/zinc/69/07/75/1073690775.db2.gz YVPKXCNFSAVMFC-UHFFFAOYSA-N 0 3 387.402 3.695 20 5 GHBDHN C[C@@](CO)(NCCOc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC001473471300 1073981570 /nfs/dbraw/zinc/98/15/70/1073981570.db2.gz CRGUWOMUYJDXMY-KRWDZBQOSA-N 0 3 385.247 3.778 20 5 GHBDHN CN(C(=O)CN[C@H]1C[C@H](OCc2ccccc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001473485162 1073984918 /nfs/dbraw/zinc/98/49/18/1073984918.db2.gz VYZBVHRFBSDALS-PMACEKPBSA-N 0 3 397.475 3.531 20 5 GHBDHN COc1ccc(C[C@](C)(CO)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC001473838754 1074168040 /nfs/dbraw/zinc/16/80/40/1074168040.db2.gz KZKZFZTWDSMABX-GOSISDBHSA-N 0 3 398.381 3.706 20 5 GHBDHN CO[C@H](CNCc1ccc(Br)cc1[N+](=O)[O-])Cc1ccccc1 ZINC001474686041 1074514563 /nfs/dbraw/zinc/51/45/63/1074514563.db2.gz KKLKNLWCDCPXKZ-INIZCTEOSA-N 0 3 379.254 3.705 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H](CO)Cc3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC001650953038 1126252319 /nfs/dbraw/zinc/25/23/19/1126252319.db2.gz ROPKQHVBHUGKSS-QGZVFWFLSA-N 0 3 396.443 3.865 20 5 GHBDHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC001656294739 1126257475 /nfs/dbraw/zinc/25/74/75/1126257475.db2.gz YXIRMXQKAQBYFN-QGZVFWFLSA-N 0 3 397.244 3.580 20 5 GHBDHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000583503917 834511344 /nfs/dbraw/zinc/51/13/44/834511344.db2.gz VVMRUUBILQBIAL-MDOVXXIYSA-N 0 3 385.439 3.617 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000536096775 834826185 /nfs/dbraw/zinc/82/61/85/834826185.db2.gz UOJGUTCRFVGKJO-SFHVURJKSA-N 0 3 390.509 3.581 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000179186843 835010570 /nfs/dbraw/zinc/01/05/70/835010570.db2.gz DRBFTGGEGHEYOX-ZAAXVRCTSA-N 0 3 382.464 3.709 20 5 GHBDHN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000480560335 835065217 /nfs/dbraw/zinc/06/52/17/835065217.db2.gz VJGIMDDDGQHDLK-LJQANCHMSA-N 0 3 397.475 3.648 20 5 GHBDHN COc1cc(CNCCc2cc(C)no2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000512998098 844076706 /nfs/dbraw/zinc/07/67/06/844076706.db2.gz UDGHEJZHXBZBKT-UHFFFAOYSA-N 0 3 397.431 3.811 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000429959260 844126028 /nfs/dbraw/zinc/12/60/28/844126028.db2.gz AJNMIXGUSOTHDQ-UHFFFAOYSA-N 0 3 378.226 3.671 20 5 GHBDHN CC(C)[C@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236597344 836235646 /nfs/dbraw/zinc/23/56/46/836235646.db2.gz XBTKJAPTDLIPGX-OAHLLOKOSA-N 0 3 383.242 3.724 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000043126928 836244235 /nfs/dbraw/zinc/24/42/35/836244235.db2.gz RJHOGHNPHVZWNF-HNNXBMFYSA-N 0 3 390.465 3.624 20 5 GHBDHN CN1CCN(C)c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2C1 ZINC000179978463 836495016 /nfs/dbraw/zinc/49/50/16/836495016.db2.gz MCSRNHYVKONYSH-UHFFFAOYSA-N 0 3 389.843 3.774 20 5 GHBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000473357281 844236936 /nfs/dbraw/zinc/23/69/36/844236936.db2.gz AQPMUTJJGUSQIP-AWEZNQCLSA-N 0 3 375.375 3.724 20 5 GHBDHN CC(C)C(=O)N1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180076794 837151868 /nfs/dbraw/zinc/15/18/68/837151868.db2.gz DSGZYEMLKLHQIL-NRFANRHFSA-N 0 3 381.476 3.921 20 5 GHBDHN CCc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1[N+](=O)[O-] ZINC000471361010 837369324 /nfs/dbraw/zinc/36/93/24/837369324.db2.gz XXWPUFPTBKCIBC-UHFFFAOYSA-N 0 3 396.491 3.860 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000893067050 837924257 /nfs/dbraw/zinc/92/42/57/837924257.db2.gz KEAJSIYZSRDWHE-PXNSSMCTSA-N 0 3 386.448 3.875 20 5 GHBDHN O=C1CCCN1[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000414557431 838624246 /nfs/dbraw/zinc/62/42/46/838624246.db2.gz XCBCDIFGYJSJPV-INIZCTEOSA-N 0 3 383.448 3.832 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000275830313 839279330 /nfs/dbraw/zinc/27/93/30/839279330.db2.gz FQZRRPVAHAFUKS-UHFFFAOYSA-N 0 3 387.867 3.951 20 5 GHBDHN Cc1nc2c(s1)[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000378598851 839403047 /nfs/dbraw/zinc/40/30/47/839403047.db2.gz WAHHQLNFOJTLTJ-INIZCTEOSA-N 0 3 383.477 3.927 20 5 GHBDHN CC(C)Oc1cc(C(=O)N(CCN(C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000412424192 840197304 /nfs/dbraw/zinc/19/73/04/840197304.db2.gz ZSCFKPRABOSZAR-UHFFFAOYSA-N 0 3 391.493 3.648 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCCS(=O)(=O)c1ccccc1)CCCC2 ZINC000417337811 840740415 /nfs/dbraw/zinc/74/04/15/840740415.db2.gz JFKAOOWANSICCA-FQEVSTJZSA-N 0 3 388.489 3.816 20 5 GHBDHN CC(=O)Nc1cccc(OCCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000302140083 861214926 /nfs/dbraw/zinc/21/49/26/861214926.db2.gz FCPOAZBOISXNLA-UHFFFAOYSA-N 0 3 380.404 3.901 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001125536961 842329606 /nfs/dbraw/zinc/32/96/06/842329606.db2.gz VBFLWFOIEZIOST-HXUWFJFHSA-N 0 3 387.524 3.888 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000843685349 842638728 /nfs/dbraw/zinc/63/87/28/842638728.db2.gz NLGAMAWGQAUSGB-KVDXNUTJSA-N 0 3 397.475 3.816 20 5 GHBDHN Cc1c(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000481469866 861453799 /nfs/dbraw/zinc/45/37/99/861453799.db2.gz VWMXHPKLYHUATQ-GOSISDBHSA-N 0 3 385.439 3.571 20 5 GHBDHN C[C@@](CO)(NC/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000512888666 843940694 /nfs/dbraw/zinc/94/06/94/843940694.db2.gz BQPAQRYSXNKSGZ-SUZKBHRPSA-N 0 3 391.265 3.868 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000182615726 845498532 /nfs/dbraw/zinc/49/85/32/845498532.db2.gz NTJXKSDLFRUCSH-QGZVFWFLSA-N 0 3 381.476 3.993 20 5 GHBDHN CC1(C)C[C@H](NCc2ccc(CN3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433147841 845505396 /nfs/dbraw/zinc/50/53/96/845505396.db2.gz DUJAZUNPSPMXMU-QFIPXVFZSA-N 0 3 395.503 3.939 20 5 GHBDHN CC1(C)C[C@@H](NC[C@H](O)COc2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433169352 845583099 /nfs/dbraw/zinc/58/30/99/845583099.db2.gz QSBYUFNRYMCLCY-ORAYPTAESA-N 0 3 392.402 3.625 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000551392602 846346961 /nfs/dbraw/zinc/34/69/61/846346961.db2.gz YPRDRFJPJMQFBY-QGZVFWFLSA-N 0 3 392.843 3.681 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119823947 846353295 /nfs/dbraw/zinc/35/32/95/846353295.db2.gz JFFBJWMGUQPRQT-QGZVFWFLSA-N 0 3 384.461 3.705 20 5 GHBDHN Cc1ccc(CNC(=O)C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)cc1F ZINC000047891951 846750505 /nfs/dbraw/zinc/75/05/05/846750505.db2.gz GWWWRAQTQNTQEK-UHFFFAOYSA-N 0 3 399.466 3.879 20 5 GHBDHN Cc1c(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000478451500 847082047 /nfs/dbraw/zinc/08/20/47/847082047.db2.gz PTDBEOWFGSKJRM-FQEVSTJZSA-N 0 3 382.464 3.540 20 5 GHBDHN CN(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000583326865 849641581 /nfs/dbraw/zinc/64/15/81/849641581.db2.gz QDHQNLSCJXQQMV-MRXNPFEDSA-N 0 3 380.807 3.812 20 5 GHBDHN CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCCN(C)C1 ZINC000488225568 851289669 /nfs/dbraw/zinc/28/96/69/851289669.db2.gz VSUQIULNPICBOR-QGZVFWFLSA-N 0 3 385.489 3.912 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2ccccc2F)C1 ZINC000550210887 851943975 /nfs/dbraw/zinc/94/39/75/851943975.db2.gz BHRXHNVKQNTSHT-AWEZNQCLSA-N 0 3 385.395 3.521 20 5 GHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000515963296 851989324 /nfs/dbraw/zinc/98/93/24/851989324.db2.gz LOTOHXSPIRMNKM-HRAATJIYSA-N 0 3 397.475 3.660 20 5 GHBDHN Cc1c(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000025056801 852000088 /nfs/dbraw/zinc/00/00/88/852000088.db2.gz NPEUMYVSEFFFBO-UHFFFAOYSA-N 0 3 395.459 3.827 20 5 GHBDHN C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCc1ccco1 ZINC000111398903 852100144 /nfs/dbraw/zinc/10/01/44/852100144.db2.gz WPRJNRNROBXZPC-CYBMUJFWSA-N 0 3 385.445 3.711 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489633428 852498621 /nfs/dbraw/zinc/49/86/21/852498621.db2.gz RTKNEDOLZQRUQI-SJORKVTESA-N 0 3 384.480 3.784 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000489633425 852498664 /nfs/dbraw/zinc/49/86/64/852498664.db2.gz RTKNEDOLZQRUQI-DLBZAZTESA-N 0 3 384.480 3.784 20 5 GHBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCCCC1 ZINC000437285280 852952691 /nfs/dbraw/zinc/95/26/91/852952691.db2.gz HFSWPVUHYSMFDP-UHFFFAOYSA-N 0 3 387.402 3.950 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000490434610 853027832 /nfs/dbraw/zinc/02/78/32/853027832.db2.gz XTPYOYCCVYAYAX-LIRRHRJNSA-N 0 3 397.500 3.959 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000490548566 853084525 /nfs/dbraw/zinc/08/45/25/853084525.db2.gz XCPCJEGXKHPVQZ-DYVFJYSZSA-N 0 3 377.510 3.555 20 5 GHBDHN Cc1ccccc1OCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506124174 853510745 /nfs/dbraw/zinc/51/07/45/853510745.db2.gz FJPBMAYSIYPCHC-UHFFFAOYSA-N 0 3 380.448 3.815 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])c1ccsc1 ZINC000843765632 853948091 /nfs/dbraw/zinc/94/80/91/853948091.db2.gz FMPLIYUZUIVBRZ-INIZCTEOSA-N 0 3 379.457 3.917 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000027573673 855209114 /nfs/dbraw/zinc/20/91/14/855209114.db2.gz NADPNAKLGTZBOJ-SFHVURJKSA-N 0 3 387.505 3.788 20 5 GHBDHN O=C(c1cccc(CN2CCCC2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129540758 855270646 /nfs/dbraw/zinc/27/06/46/855270646.db2.gz UKUABEQNWAXXLC-UHFFFAOYSA-N 0 3 379.460 3.995 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000765844650 855472153 /nfs/dbraw/zinc/47/21/53/855472153.db2.gz HLMMMHWLOVULNJ-CVEARBPZSA-N 0 3 393.237 3.504 20 5 GHBDHN CC(C)(C)OC(=O)c1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000591758688 856227846 /nfs/dbraw/zinc/22/78/46/856227846.db2.gz IVUVBBNAYUFUPR-UHFFFAOYSA-N 0 3 399.447 3.669 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000482209436 862811398 /nfs/dbraw/zinc/81/13/98/862811398.db2.gz LBNAEDUNPBJKPX-FTRWYGJKSA-N 0 3 382.464 3.618 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCNC1(c2ccccc2Cl)CC1 ZINC000592137097 856699714 /nfs/dbraw/zinc/69/97/14/856699714.db2.gz CNHCNUIFJJAJNN-UHFFFAOYSA-N 0 3 387.823 3.825 20 5 GHBDHN CC(C)(NC[C@@H](O)CO[C@H]1CCCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429239137 856715297 /nfs/dbraw/zinc/71/52/97/856715297.db2.gz PLOKZHSWERJTNT-UTKZUKDTSA-N 0 3 384.476 3.875 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000173411584 856911034 /nfs/dbraw/zinc/91/10/34/856911034.db2.gz FMIIPPFKQKUVBQ-UHFFFAOYSA-N 0 3 381.476 3.684 20 5 GHBDHN C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC001128189827 857186841 /nfs/dbraw/zinc/18/68/41/857186841.db2.gz RWAOPLKMJFTAID-VLIAUNLRSA-N 0 3 389.883 3.988 20 5 GHBDHN C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC001128189823 857186939 /nfs/dbraw/zinc/18/69/39/857186939.db2.gz RWAOPLKMJFTAID-JLTOFOAXSA-N 0 3 389.883 3.988 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342766 857389675 /nfs/dbraw/zinc/38/96/75/857389675.db2.gz HOIHQFDSKUKLNY-UHFFFAOYSA-N 0 3 376.844 3.844 20 5 GHBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000486432817 857732626 /nfs/dbraw/zinc/73/26/26/857732626.db2.gz FUBKUWHAGQCASF-FQEVSTJZSA-N 0 3 385.464 3.999 20 5 GHBDHN CCOc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000114505584 858067045 /nfs/dbraw/zinc/06/70/45/858067045.db2.gz SXRVQKZPLCRMHS-UHFFFAOYSA-N 0 3 396.447 3.692 20 5 GHBDHN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1F ZINC000521924083 858449019 /nfs/dbraw/zinc/44/90/19/858449019.db2.gz CSCCKDFPUYJWAG-LLVKDONJSA-N 0 3 377.347 3.522 20 5 GHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1OC ZINC000595634110 858624339 /nfs/dbraw/zinc/62/43/39/858624339.db2.gz AOGYLBJHOUQSDV-HPFXQQBRSA-N 0 3 392.496 3.621 20 5 GHBDHN Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000593129128 858729929 /nfs/dbraw/zinc/72/99/29/858729929.db2.gz QHYMNWWKGTZTDM-TZMCWYRMSA-N 0 3 397.353 3.559 20 5 GHBDHN Cc1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000593129127 858730047 /nfs/dbraw/zinc/73/00/47/858730047.db2.gz QHYMNWWKGTZTDM-OCCSQVGLSA-N 0 3 397.353 3.559 20 5 GHBDHN CN(C(=O)CCNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000596062621 858768337 /nfs/dbraw/zinc/76/83/37/858768337.db2.gz KHYDSCXKDAOXLE-UHFFFAOYSA-N 0 3 381.354 3.756 20 5 GHBDHN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1O ZINC000250120157 858799971 /nfs/dbraw/zinc/79/99/71/858799971.db2.gz VDXMYSWPJWDOTQ-MEDUHNTESA-N 0 3 395.253 3.820 20 5 GHBDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000060168082 858929622 /nfs/dbraw/zinc/92/96/22/858929622.db2.gz ORGOBKNYKJJBDU-UHFFFAOYSA-N 0 3 395.381 3.818 20 5 GHBDHN O=C(CN(CC1CC1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000483299798 859280400 /nfs/dbraw/zinc/28/04/00/859280400.db2.gz TVJHHEJOKIAYOQ-UHFFFAOYSA-N 0 3 382.258 3.560 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000611195299 859636613 /nfs/dbraw/zinc/63/66/13/859636613.db2.gz GTGDJZHADMIRCK-UHFFFAOYSA-N 0 3 392.459 3.733 20 5 GHBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611212162 859645387 /nfs/dbraw/zinc/64/53/87/859645387.db2.gz VODSLUFAKLYMDV-UGSOOPFHSA-N 0 3 389.521 3.842 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552058286 859677458 /nfs/dbraw/zinc/67/74/58/859677458.db2.gz ALKQOOYAMWNMTQ-STQYRHOTSA-N 0 3 397.475 3.863 20 5 GHBDHN COc1ccc([C@H](CNCc2csc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000237340532 859951844 /nfs/dbraw/zinc/95/18/44/859951844.db2.gz DXOHGVPPKLNZBT-SFHVURJKSA-N 0 3 375.494 3.982 20 5 GHBDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(N2CCNC2=O)cc1 ZINC000842899264 860071447 /nfs/dbraw/zinc/07/14/47/860071447.db2.gz CZFZKPLAVNGZMI-XOBRGWDASA-N 0 3 380.448 3.853 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNCC3(c4ccc(F)cc4)CCOCC3)nc2c1 ZINC000602532136 860101100 /nfs/dbraw/zinc/10/11/00/860101100.db2.gz VMPNIBMABNIXQG-UHFFFAOYSA-N 0 3 385.395 3.713 20 5 GHBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000542659919 860197309 /nfs/dbraw/zinc/19/73/09/860197309.db2.gz SVKAKIOTMPLRJP-HNNXBMFYSA-N 0 3 391.537 3.949 20 5 GHBDHN CC[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000155175633 860427719 /nfs/dbraw/zinc/42/77/19/860427719.db2.gz ADHZVBJLEBELFV-JOCHJYFZSA-N 0 3 399.491 3.547 20 5 GHBDHN Cc1ccc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025534890 860534783 /nfs/dbraw/zinc/53/47/83/860534783.db2.gz LAPBKNIDLTYKBN-NRFANRHFSA-N 0 3 381.476 3.716 20 5 GHBDHN COc1cc(CNC[C@@H]2[C@@H](c3ccccc3)C2(F)F)c([N+](=O)[O-])cc1OC ZINC000922775269 860568769 /nfs/dbraw/zinc/56/87/69/860568769.db2.gz IZYXBSIAZVKCSR-RDTXWAMCSA-N 0 3 378.375 3.751 20 5 GHBDHN CN1Cc2ccccc2[C@H](N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000598943399 860683221 /nfs/dbraw/zinc/68/32/21/860683221.db2.gz UALUBMIGAKIFRE-VMRPVKRXSA-N 0 3 379.460 3.609 20 5 GHBDHN CN(C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1 ZINC000125825157 860791819 /nfs/dbraw/zinc/79/18/19/860791819.db2.gz KZVIIGXJNSIJKX-OAHLLOKOSA-N 0 3 394.378 3.621 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000439673919 863182704 /nfs/dbraw/zinc/18/27/04/863182704.db2.gz OJXYKMMQJCKURA-AFAVFJNCSA-N 0 3 395.887 3.903 20 5 GHBDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000062368708 863312804 /nfs/dbraw/zinc/31/28/04/863312804.db2.gz YXFWFKVRRRIAME-UHFFFAOYSA-N 0 3 392.406 3.777 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2ccc3cccnc3n2)CC1 ZINC000594020888 863761325 /nfs/dbraw/zinc/76/13/25/863761325.db2.gz NICJTASRMHHFLM-UHFFFAOYSA-N 0 3 378.432 3.796 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000533960304 864069719 /nfs/dbraw/zinc/06/97/19/864069719.db2.gz YKBCXCZTXSAJRN-OAQYLSRUSA-N 0 3 396.491 3.582 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@H]2CCO[C@H]2C2CC2)cc1OC ZINC000494444335 881733052 /nfs/dbraw/zinc/73/30/52/881733052.db2.gz LQGLZJKKZFRNTN-RISOHXOYSA-N 0 3 378.469 3.685 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000237426081 864275025 /nfs/dbraw/zinc/27/50/25/864275025.db2.gz AZQJQMNTIKQIEM-GFCCVEGCSA-N 0 3 392.253 3.864 20 5 GHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H](CN1CCCC1)c1ccccc1 ZINC000129733637 864857493 /nfs/dbraw/zinc/85/74/93/864857493.db2.gz CSBPJKOWTXYXLP-OAQYLSRUSA-N 0 3 392.459 3.572 20 5 GHBDHN CCOc1ccc2c(c1)[C@@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000186693693 866636934 /nfs/dbraw/zinc/63/69/34/866636934.db2.gz ZDZOZZDKXDRVLE-KUHUBIRLSA-N 0 3 399.447 3.824 20 5 GHBDHN COc1ccc(CN2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000534472014 866874930 /nfs/dbraw/zinc/87/49/30/866874930.db2.gz DWKCCFTXOXPBCJ-QGZVFWFLSA-N 0 3 380.448 3.926 20 5 GHBDHN COc1cc(CN[C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000128233774 867030892 /nfs/dbraw/zinc/03/08/92/867030892.db2.gz PFEFCOFERPWDQO-KBPBESRZSA-N 0 3 396.394 3.675 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNC[C@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000742375154 867268144 /nfs/dbraw/zinc/26/81/44/867268144.db2.gz JMHADIDGANGVMC-NRFANRHFSA-N 0 3 381.432 3.953 20 5 GHBDHN O=C(NC1CC1)[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000523520162 867482045 /nfs/dbraw/zinc/48/20/45/867482045.db2.gz MICGHTDYXNTYAC-FQEVSTJZSA-N 0 3 385.439 3.666 20 5 GHBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444994936 867591474 /nfs/dbraw/zinc/59/14/74/867591474.db2.gz FYQWGMQJOMOEMX-KRWDZBQOSA-N 0 3 389.499 3.676 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000553944224 868512185 /nfs/dbraw/zinc/51/21/85/868512185.db2.gz PWYPVYFBLRNFOO-KRWDZBQOSA-N 0 3 391.855 3.599 20 5 GHBDHN CCN1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000442731338 868523422 /nfs/dbraw/zinc/52/34/22/868523422.db2.gz INPYBDBQHGOJFH-UHFFFAOYSA-N 0 3 385.489 3.914 20 5 GHBDHN CC(C)(NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000487536298 882244124 /nfs/dbraw/zinc/24/41/24/882244124.db2.gz JUJMHIGAQVJVEJ-FQEVSTJZSA-N 0 3 396.491 3.966 20 5 GHBDHN C[C@@H]1CN(CCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000491262455 869277166 /nfs/dbraw/zinc/27/71/66/869277166.db2.gz YRMWXGOAUXQXDA-SVMVAKDDSA-N 0 3 383.492 3.773 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000462439149 869432579 /nfs/dbraw/zinc/43/25/79/869432579.db2.gz YMPRLOJCZOJIED-FQEVSTJZSA-N 0 3 383.492 3.754 20 5 GHBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000747136754 882340289 /nfs/dbraw/zinc/34/02/89/882340289.db2.gz DWQOPGGOCXCJOD-YHYXMXQVSA-N 0 3 397.500 3.838 20 5 GHBDHN CN(CCN(C)c1ccccc1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000539833027 869874229 /nfs/dbraw/zinc/87/42/29/869874229.db2.gz KDRBYTCCAPMSBK-UHFFFAOYSA-N 0 3 379.464 3.564 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000525383024 870538580 /nfs/dbraw/zinc/53/85/80/870538580.db2.gz PPIHRFXWNKXUBC-GOSISDBHSA-N 0 3 395.503 3.995 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000538758675 870581029 /nfs/dbraw/zinc/58/10/29/870581029.db2.gz DQQBJKWYUKJYKX-UHFFFAOYSA-N 0 3 391.537 3.611 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000540189983 870682454 /nfs/dbraw/zinc/68/24/54/870682454.db2.gz YRWAIASPFROQHX-UGSOOPFHSA-N 0 3 387.411 3.955 20 5 GHBDHN O=[N+]([O-])c1ccc(CN(C[C@H]2CN(Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429698537 871049026 /nfs/dbraw/zinc/04/90/26/871049026.db2.gz NRLJZJLCVDJPTR-HSZRJFAPSA-N 0 3 395.503 3.850 20 5 GHBDHN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000525779667 871423419 /nfs/dbraw/zinc/42/34/19/871423419.db2.gz OBZCPNJGVQYTPS-HNNXBMFYSA-N 0 3 387.402 3.608 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000540589409 871691497 /nfs/dbraw/zinc/69/14/97/871691497.db2.gz VVJWIPCOGYJSTJ-JLTOFOAXSA-N 0 3 383.448 3.980 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462182809 871784784 /nfs/dbraw/zinc/78/47/84/871784784.db2.gz QJWFXNHWUHNQDP-NQSCKRDGSA-N 0 3 395.503 3.800 20 5 GHBDHN O=C(c1ccccc1[O-])N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447537725 871803184 /nfs/dbraw/zinc/80/31/84/871803184.db2.gz YEFBJCVRMIJVOO-FQEVSTJZSA-N 0 3 395.459 3.572 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000448602277 873655625 /nfs/dbraw/zinc/65/56/25/873655625.db2.gz AEMILNPZOOVZCG-HNNXBMFYSA-N 0 3 395.381 3.516 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccccc1Cl ZINC000026227469 873729348 /nfs/dbraw/zinc/72/93/48/873729348.db2.gz FVWAVLOYWJCCJX-LBPRGKRZSA-N 0 3 377.828 3.936 20 5 GHBDHN C[C@@H](C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000541583368 873871240 /nfs/dbraw/zinc/87/12/40/873871240.db2.gz RAIVSBYBAMWZDN-DLBZAZTESA-N 0 3 399.466 3.960 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)cc2)CC1 ZINC000769615804 874198749 /nfs/dbraw/zinc/19/87/49/874198749.db2.gz DJWMSISXAWGIFB-UHFFFAOYSA-N 0 3 396.491 3.914 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)CCC2 ZINC000192621335 882822462 /nfs/dbraw/zinc/82/24/62/882822462.db2.gz TXUUHFYOYWYZPF-VXKWHMMOSA-N 0 3 381.476 3.635 20 5 GHBDHN C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H](c2ccco2)C1 ZINC000464857464 874654525 /nfs/dbraw/zinc/65/45/25/874654525.db2.gz NTNQLYMRCRDPCN-ZBFHGGJFSA-N 0 3 385.420 3.959 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000449341626 874730576 /nfs/dbraw/zinc/73/05/76/874730576.db2.gz VDPFXDIBEKCOTO-BDJLRTHQSA-N 0 3 397.244 3.751 20 5 GHBDHN COCC(COC)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000449540176 875023881 /nfs/dbraw/zinc/02/38/81/875023881.db2.gz JEBJHIJZOVIFAW-UHFFFAOYSA-N 0 3 380.828 3.792 20 5 GHBDHN O=[N+]([O-])c1c(F)cccc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000771169439 875089463 /nfs/dbraw/zinc/08/94/63/875089463.db2.gz UICNCBQMRKPWCX-UHFFFAOYSA-N 0 3 377.391 3.828 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC001199855244 875205546 /nfs/dbraw/zinc/20/55/46/875205546.db2.gz KJBWPOFQHZQTEZ-INIZCTEOSA-N 0 3 392.843 3.681 20 5 GHBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)N(C)Cc1ccccc1 ZINC001199855576 875206594 /nfs/dbraw/zinc/20/65/94/875206594.db2.gz NOYHLBZPRCUYKX-ZDUSSCGKSA-N 0 3 376.844 3.890 20 5 GHBDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105464811 875300539 /nfs/dbraw/zinc/30/05/39/875300539.db2.gz JUJWDPIURPYYIP-MRXNPFEDSA-N 0 3 386.471 3.727 20 5 GHBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492676576 877328519 /nfs/dbraw/zinc/32/85/19/877328519.db2.gz RLCZUMYDWYCKET-WBVHZDCISA-N 0 3 377.485 3.510 20 5 GHBDHN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000452319032 879307968 /nfs/dbraw/zinc/30/79/68/879307968.db2.gz DEPXNAMCEJEXKS-LBPRGKRZSA-N 0 3 385.386 3.560 20 5 GHBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)[C@H]2C1 ZINC000493343005 879388916 /nfs/dbraw/zinc/38/89/16/879388916.db2.gz AZUKXSJWAYIVAY-YWZLYKJASA-N 0 3 397.500 3.912 20 5 GHBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000493476490 879470127 /nfs/dbraw/zinc/47/01/27/879470127.db2.gz CUVQIDUHNVJYPZ-YWZLYKJASA-N 0 3 380.448 3.505 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790169342 879504995 /nfs/dbraw/zinc/50/49/95/879504995.db2.gz MNRMHATXRLHQOA-MJGOQNOKSA-N 0 3 383.423 3.799 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000617404979 879713113 /nfs/dbraw/zinc/71/31/13/879713113.db2.gz DZJMWTQBTAJWAQ-IBGZPJMESA-N 0 3 383.448 3.560 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000112821407 880167613 /nfs/dbraw/zinc/16/76/13/880167613.db2.gz SXYWFDSVGZMPJB-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000796696016 881015846 /nfs/dbraw/zinc/01/58/46/881015846.db2.gz PIBAERINTWQBEJ-MGPLVRAMSA-N 0 3 383.217 3.881 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000499115544 881184231 /nfs/dbraw/zinc/18/42/31/881184231.db2.gz HPHHEHMHSBRYDK-KBXCAEBGSA-N 0 3 388.443 3.705 20 5 GHBDHN CCC[C@H](NC[C@H]1COCCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000858525972 883174174 /nfs/dbraw/zinc/17/41/74/883174174.db2.gz PKTZWRAXFJZWFP-ROUUACIJSA-N 0 3 393.484 3.662 20 5 GHBDHN COC[C@](C)(O)CNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000609565418 883346906 /nfs/dbraw/zinc/34/69/06/883346906.db2.gz QBLZNKUXLZUUPR-LJQANCHMSA-N 0 3 376.478 3.541 20 5 GHBDHN C[C@@H](Nc1ccc(C(=O)OCCN2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000919677966 886117352 /nfs/dbraw/zinc/11/73/52/886117352.db2.gz IYRORNJBTLFPJA-MRXNPFEDSA-N 0 3 398.463 3.806 20 5 GHBDHN COC(=O)C1=CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000862465426 886395096 /nfs/dbraw/zinc/39/50/96/886395096.db2.gz QQLUUEFKDNEYTI-GFCCVEGCSA-N 0 3 376.796 3.860 20 5 GHBDHN COc1cccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])N2CCCC2)c1 ZINC000301076787 886456831 /nfs/dbraw/zinc/45/68/31/886456831.db2.gz PZZPRSHJRPOINF-HNNXBMFYSA-N 0 3 387.465 3.562 20 5 GHBDHN Cc1c(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000454201367 886630404 /nfs/dbraw/zinc/63/04/04/886630404.db2.gz PFXNMYUFZCRXJR-INIZCTEOSA-N 0 3 382.464 3.889 20 5 GHBDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000193698713 887262234 /nfs/dbraw/zinc/26/22/34/887262234.db2.gz OTRBHCZGCOOJID-XIKOKIGWSA-N 0 3 389.839 3.655 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762975430 887476355 /nfs/dbraw/zinc/47/63/55/887476355.db2.gz WCLMLYSZBHOORN-PAXLWEDBSA-N 0 3 379.460 3.841 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809914009 887937846 /nfs/dbraw/zinc/93/78/46/887937846.db2.gz DXMCDCWFAPRCQS-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000194061618 887996048 /nfs/dbraw/zinc/99/60/48/887996048.db2.gz CTIRWPVULDKFTL-UONOGXRCSA-N 0 3 387.436 3.680 20 5 GHBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809996082 888053734 /nfs/dbraw/zinc/05/37/34/888053734.db2.gz RKJWQWRBCIWGLL-GFCCVEGCSA-N 0 3 388.295 3.587 20 5 GHBDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000454758786 889698110 /nfs/dbraw/zinc/69/81/10/889698110.db2.gz LAURCDYBYJXRIQ-ROUUACIJSA-N 0 3 396.491 3.819 20 5 GHBDHN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533429135 890541005 /nfs/dbraw/zinc/54/10/05/890541005.db2.gz NGGJOQMIGWDKDU-MORSLUCNSA-N 0 3 395.887 3.712 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000872090489 891150706 /nfs/dbraw/zinc/15/07/06/891150706.db2.gz PSZLUJVCOVSZSL-POHZPAGDSA-N 0 3 375.450 3.598 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000179241198 891675641 /nfs/dbraw/zinc/67/56/41/891675641.db2.gz HVOYZBFBIKTERR-HNNXBMFYSA-N 0 3 375.469 3.816 20 5 GHBDHN Cc1cc(C(F)(F)F)nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000873545072 891678501 /nfs/dbraw/zinc/67/85/01/891678501.db2.gz ONYFDFAYYJSFNH-TVQRCGJNSA-N 0 3 387.289 3.506 20 5 GHBDHN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000774841050 913726033 /nfs/dbraw/zinc/72/60/33/913726033.db2.gz RINUZXWVPPCQAI-IBGZPJMESA-N 0 3 384.436 3.599 20 5 GHBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000288333653 913733457 /nfs/dbraw/zinc/73/34/57/913733457.db2.gz JNVLQNKCAHWKMH-DOTOQJQBSA-N 0 3 375.472 3.792 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000778237167 893535177 /nfs/dbraw/zinc/53/51/77/893535177.db2.gz UKIJEGCSGKAKEC-INIZCTEOSA-N 0 3 397.447 3.947 20 5 GHBDHN C[C@H](NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555878 893994870 /nfs/dbraw/zinc/99/48/70/893994870.db2.gz JNKHWWXAHSVBEA-BBWFWOEESA-N 0 3 398.507 3.637 20 5 GHBDHN COc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000815557776 893997173 /nfs/dbraw/zinc/99/71/73/893997173.db2.gz DHYLZHPLTGBBOE-LLVKDONJSA-N 0 3 399.369 3.978 20 5 GHBDHN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC001135797682 895284576 /nfs/dbraw/zinc/28/45/76/895284576.db2.gz PRFZEBQYBVTGHJ-INIZCTEOSA-N 0 3 387.867 3.572 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099890 895512936 /nfs/dbraw/zinc/51/29/36/895512936.db2.gz YIGHEFVNCXYRMS-GFCCVEGCSA-N 0 3 396.369 3.996 20 5 GHBDHN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1cccc(CN(C)C)c1 ZINC001135964322 895797868 /nfs/dbraw/zinc/79/78/68/895797868.db2.gz WVGTWWWSOZHSEB-UHFFFAOYSA-N 0 3 390.827 3.521 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000569852372 898984353 /nfs/dbraw/zinc/98/43/53/898984353.db2.gz OELZDEMBAGOQIQ-HXUWFJFHSA-N 0 3 387.867 3.951 20 5 GHBDHN CC(C)N1CC[C@@H](NCc2cccnc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000886192255 900876246 /nfs/dbraw/zinc/87/62/46/900876246.db2.gz NHPHHKYZJIZBIQ-QZTJIDSGSA-N 0 3 376.407 3.582 20 5 GHBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000575353883 901207145 /nfs/dbraw/zinc/20/71/45/901207145.db2.gz GQSPILOQRCBRCF-JOCHJYFZSA-N 0 3 379.460 3.900 20 5 GHBDHN COc1ccc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845872275 902473567 /nfs/dbraw/zinc/47/35/67/902473567.db2.gz FVYOMEBDTQQVNC-RNODOKPDSA-N 0 3 391.395 3.725 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845872147 902473663 /nfs/dbraw/zinc/47/36/63/902473663.db2.gz CTDPDSGOBOLLKM-KPZWWZAWSA-N 0 3 375.352 3.550 20 5 GHBDHN CCOc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845872779 902473680 /nfs/dbraw/zinc/47/36/80/902473680.db2.gz OBMKOCFCDIKBRC-DIFFPNOSSA-N 0 3 392.339 3.696 20 5 GHBDHN CC([C@H](OC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1F)[N+](=O)[O-] ZINC000845873205 902475512 /nfs/dbraw/zinc/47/55/12/902475512.db2.gz RZZUVZNUVDKWFO-YJYMSZOUSA-N 0 3 399.378 3.758 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)NC(=O)CC1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874404 902477862 /nfs/dbraw/zinc/47/78/62/902477862.db2.gz IEIZQYWMNGIASS-IQUTYRLHSA-N 0 3 394.443 3.550 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)NC(=O)CC1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874406 902478323 /nfs/dbraw/zinc/47/83/23/902478323.db2.gz IEIZQYWMNGIASS-NJSLBKSFSA-N 0 3 394.443 3.550 20 5 GHBDHN COc1ccc2[nH]cc(CC(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])c2c1 ZINC000845875436 902479175 /nfs/dbraw/zinc/47/91/75/902479175.db2.gz MPXUTCNNSVQECO-FKIZINRSSA-N 0 3 386.379 3.808 20 5 GHBDHN COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876776 902480857 /nfs/dbraw/zinc/48/08/57/902480857.db2.gz OOPJMXYTPAKEGM-QAJFTPDKSA-N 0 3 389.379 3.650 20 5 GHBDHN CC([C@H](OC(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1F)[N+](=O)[O-] ZINC000845880181 902483981 /nfs/dbraw/zinc/48/39/81/902483981.db2.gz ZGGIJOFIQFIRSF-BLVKFPJESA-N 0 3 386.379 3.664 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)OCc1ccc(F)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882052 902486355 /nfs/dbraw/zinc/48/63/55/902486355.db2.gz NRWJJWWIJRRCLP-LXIYXOSZSA-N 0 3 379.359 3.820 20 5 GHBDHN COc1cc(CNC[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000578803402 904133170 /nfs/dbraw/zinc/13/31/70/904133170.db2.gz VKRMFYCIUOPDKT-CYBMUJFWSA-N 0 3 394.374 3.513 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000779160243 904921326 /nfs/dbraw/zinc/92/13/26/904921326.db2.gz GLDGRJMBQNIRPM-PRLJZHDASA-N 0 3 375.469 3.843 20 5 GHBDHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243253 905792485 /nfs/dbraw/zinc/79/24/85/905792485.db2.gz FYWKQAHNDWNCRB-INIZCTEOSA-N 0 3 382.468 3.602 20 5 GHBDHN NCc1nn(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)c2ccccc12 ZINC001173011380 906088348 /nfs/dbraw/zinc/08/83/48/906088348.db2.gz CCDWYEAWKSTUID-UHFFFAOYSA-N 0 3 387.390 3.523 20 5 GHBDHN COc1ccc2c(c1)[C@@H](N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])CCO2 ZINC001173184251 906266279 /nfs/dbraw/zinc/26/62/79/906266279.db2.gz PFXHMALKUUFMNQ-WBMJQRKESA-N 0 3 390.411 3.796 20 5 GHBDHN CCN(CCNC(=O)OC(C)(C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194143 906279170 /nfs/dbraw/zinc/27/91/70/906279170.db2.gz XYCKLWLCPRGXDP-CYBMUJFWSA-N 0 3 399.463 3.520 20 5 GHBDHN CCOc1ccc([C@H](C)NCc2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000179399711 906493364 /nfs/dbraw/zinc/49/33/64/906493364.db2.gz RXIGLFBWYQHJMP-INIZCTEOSA-N 0 3 397.475 3.967 20 5 GHBDHN Cn1cc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180600907 906799814 /nfs/dbraw/zinc/79/98/14/906799814.db2.gz QLRFOFFRUWCHJY-MOPGFXCFSA-N 0 3 396.447 3.676 20 5 GHBDHN CCCn1ccnc1CCCN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191507394 908634438 /nfs/dbraw/zinc/63/44/38/908634438.db2.gz JNHHLPPSBMYBLG-OAHLLOKOSA-N 0 3 398.467 3.877 20 5 GHBDHN CSc1ccc([C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)N(C)C)cc1 ZINC001181996376 911117022 /nfs/dbraw/zinc/11/70/22/911117022.db2.gz HYYSQKAVWCGIST-KRWDZBQOSA-N 0 3 386.477 3.850 20 5 GHBDHN O=C(c1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1)N1CCCC1 ZINC000774148839 911450678 /nfs/dbraw/zinc/45/06/78/911450678.db2.gz DBABVGKYWQTIBW-NRFANRHFSA-N 0 3 379.460 3.998 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000796431113 917091515 /nfs/dbraw/zinc/09/15/15/917091515.db2.gz LBKNBZMBWYBILG-IAGOWNOFSA-N 0 3 385.247 3.648 20 5 GHBDHN CS(=O)(=O)CC1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000295156419 917177650 /nfs/dbraw/zinc/17/76/50/917177650.db2.gz RRZGBZGQSNIOCI-UHFFFAOYSA-N 0 3 395.308 3.595 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000119997381 919674719 /nfs/dbraw/zinc/67/47/19/919674719.db2.gz RJJLHEOVOOIXRU-KSSFIOAISA-N 0 3 385.489 3.567 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000802383520 922064531 /nfs/dbraw/zinc/06/45/31/922064531.db2.gz UQZPNFJSKWPZAG-OAHLLOKOSA-N 0 3 382.247 3.934 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)n1 ZINC000369692758 923546532 /nfs/dbraw/zinc/54/65/32/923546532.db2.gz KKFZGBQEHHXVLH-UHFFFAOYSA-N 0 3 393.447 3.602 20 5 GHBDHN COc1cccc(C2=CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000410031072 925263172 /nfs/dbraw/zinc/26/31/72/925263172.db2.gz SWHRRINILXVRGG-UHFFFAOYSA-N 0 3 381.432 3.721 20 5 GHBDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000751088746 928022963 /nfs/dbraw/zinc/02/29/63/928022963.db2.gz FBENFIYHOJCCOJ-FQEVSTJZSA-N 0 3 399.466 3.937 20 5 GHBDHN Cc1ccccc1[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000544124007 928834464 /nfs/dbraw/zinc/83/44/64/928834464.db2.gz RKIVZECMDCQUAX-LJQANCHMSA-N 0 3 376.478 3.664 20 5 GHBDHN C[C@H](C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544399680 929133051 /nfs/dbraw/zinc/13/30/51/929133051.db2.gz PHJQQWDXRIOKSA-QFBILLFUSA-N 0 3 399.466 3.960 20 5 GHBDHN CCCC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000544573508 929299290 /nfs/dbraw/zinc/29/92/90/929299290.db2.gz SQFSEGMXDHCFCJ-LJQANCHMSA-N 0 3 376.478 3.890 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000757755107 929790518 /nfs/dbraw/zinc/79/05/18/929790518.db2.gz GFFOYULPFWOCMU-UHFFFAOYSA-N 0 3 377.485 3.982 20 5 GHBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000546058871 929813130 /nfs/dbraw/zinc/81/31/30/929813130.db2.gz DSZJIBBHFROIAF-XLIONFOSSA-N 0 3 390.411 3.810 20 5 GHBDHN CC(C)N1CCN(c2ccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000470707759 930841967 /nfs/dbraw/zinc/84/19/67/930841967.db2.gz OKBUYFHZAUFACY-UHFFFAOYSA-N 0 3 386.427 3.517 20 5 GHBDHN Cc1ccc([C@@H]2C[C@@H](C)N(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000782954720 931374319 /nfs/dbraw/zinc/37/43/19/931374319.db2.gz NTXOHGKCDGGMTQ-VQIMIIECSA-N 0 3 377.448 3.997 20 5 GHBDHN O=C(CCN[C@H]1CCOc2c(Cl)cccc21)Nc1ccccc1[N+](=O)[O-] ZINC000558572778 932080802 /nfs/dbraw/zinc/08/08/02/932080802.db2.gz RJNCPVIASKARLN-AWEZNQCLSA-N 0 3 375.812 3.690 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000797082705 932174723 /nfs/dbraw/zinc/17/47/23/932174723.db2.gz WZUUHSQMQDSJTO-FIKMYACPSA-N 0 3 397.450 3.980 20 5 GHBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000560180667 933114712 /nfs/dbraw/zinc/11/47/12/933114712.db2.gz IXBRZBPZHOUDGL-SUMWQHHRSA-N 0 3 376.840 3.758 20 5 GHBDHN Cc1cc(F)cc(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000778069652 934831404 /nfs/dbraw/zinc/83/14/04/934831404.db2.gz BRSITPKHVVPOJG-NRFANRHFSA-N 0 3 385.439 3.827 20 5 GHBDHN COc1cc(OC)cc(N2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000468113509 1015281883 /nfs/dbraw/zinc/28/18/83/1015281883.db2.gz NZHJDRMDSKWUGW-INIZCTEOSA-N 0 3 385.464 3.885 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000468475214 1015736241 /nfs/dbraw/zinc/73/62/41/1015736241.db2.gz NNDPGRCMCAPZMV-QGZVFWFLSA-N 0 3 379.526 3.946 20 5 GHBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000545550526 1016024585 /nfs/dbraw/zinc/02/45/85/1016024585.db2.gz YIKRGLIQOBJPAR-AEFFLSMTSA-N 0 3 380.828 3.792 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001221084325 1032275353 /nfs/dbraw/zinc/27/53/53/1032275353.db2.gz ZHDZXZAWTJMXGG-HXUWFJFHSA-N 0 3 384.480 3.568 20 5 GHBDHN CN1CCC(Oc2c(Br)cc(Br)cc2[N+](=O)[O-])CC1 ZINC001227641463 1032498178 /nfs/dbraw/zinc/49/81/78/1032498178.db2.gz SUQCYSCHLBLNCK-UHFFFAOYSA-N 0 3 394.063 3.593 20 5 GHBDHN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155827020 1032727126 /nfs/dbraw/zinc/72/71/26/1032727126.db2.gz ZGEUOQLRVIJSJC-KBXCAEBGSA-N 0 3 376.844 3.510 20 5 GHBDHN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155828806 1032729261 /nfs/dbraw/zinc/72/92/61/1032729261.db2.gz PADOIQHMTSDTCG-FUHWJXTLSA-N 0 3 376.844 3.510 20 5 GHBDHN C[C@@H](CN(C)C)NC(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001155923966 1032795637 /nfs/dbraw/zinc/79/56/37/1032795637.db2.gz PSGNFECNBDTJGR-NSHDSACASA-N 0 3 384.814 3.899 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3nccn3Cc3ccccc3)c2c1 ZINC000577095450 1020127079 /nfs/dbraw/zinc/12/70/79/1020127079.db2.gz DHZAGUSLMZSQAV-UHFFFAOYSA-N 0 3 375.432 3.653 20 5 GHBDHN O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC001156529262 1033087341 /nfs/dbraw/zinc/08/73/41/1033087341.db2.gz FGJIUIVVLQIHEE-LBPRGKRZSA-N 0 3 382.251 3.941 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000755646756 1023324170 /nfs/dbraw/zinc/32/41/70/1023324170.db2.gz PWGZOVDOCCKJHP-PEZBUJJGSA-N 0 3 395.459 3.594 20 5 GHBDHN COc1cccc([C@@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)N(C)C)c1 ZINC001161923354 1025497675 /nfs/dbraw/zinc/49/76/75/1025497675.db2.gz AUPKNOXVXMMSSH-QGZVFWFLSA-N 0 3 379.844 3.980 20 5 GHBDHN COCCN(C)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001163385195 1026171195 /nfs/dbraw/zinc/17/11/95/1026171195.db2.gz INWWIRGDGPTZQD-MRXNPFEDSA-N 0 3 382.823 3.514 20 5 GHBDHN C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CN1Cc1ccccc1 ZINC001165202016 1026663027 /nfs/dbraw/zinc/66/30/27/1026663027.db2.gz QNVGAGKOFSVOQU-CVEARBPZSA-N 0 3 377.448 3.637 20 5 GHBDHN COc1ccc(CNC[C@@H](c2ccc(Cl)cc2)n2cccn2)cc1[N+](=O)[O-] ZINC001461268248 1069472148 /nfs/dbraw/zinc/47/21/48/1069472148.db2.gz NQKJAUPVVZARLD-SFHVURJKSA-N 0 3 386.839 3.833 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000842901611 1029671744 /nfs/dbraw/zinc/67/17/44/1029671744.db2.gz MSNFZGDOZBCWOV-GJZGRUSLSA-N 0 3 398.463 3.935 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001223448001 1030579099 /nfs/dbraw/zinc/57/90/99/1030579099.db2.gz DSLSEDRXDVURIJ-LJQANCHMSA-N 0 3 384.432 3.563 20 5 GHBDHN O=C1C[C@]2(NCc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CCCC[C@@H]2N1 ZINC001461813731 1069764389 /nfs/dbraw/zinc/76/43/89/1069764389.db2.gz RXTKXSAQNYTJSP-PZJWPPBQSA-N 0 3 399.422 3.817 20 5 GHBDHN CN1CCC(N(Cc2ccc(F)cc2)c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001158445465 1034079401 /nfs/dbraw/zinc/07/94/01/1034079401.db2.gz IUEZYIWBZVVHGM-UHFFFAOYSA-N 0 3 378.835 3.883 20 5 GHBDHN CC(C)N1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C[C@@H]1C ZINC001158501355 1034113883 /nfs/dbraw/zinc/11/38/83/1034113883.db2.gz SKGYYXJRXUFFCS-ZDUSSCGKSA-N 0 3 375.860 3.624 20 5 GHBDHN c1cnc2c(c1)ccc1ccc(CN3CCCN(Cc4ccncc4)CC3)nc12 ZINC001232219719 1035168431 /nfs/dbraw/zinc/16/84/31/1035168431.db2.gz YYWINIGJRAVKFG-UHFFFAOYSA-N 0 3 383.499 3.886 20 5 GHBDHN CCC(C)(C)c1cc([N+](=O)[O-])c(OC2CCN(CCOC)CC2)c([N+](=O)[O-])c1 ZINC001233529481 1039416040 /nfs/dbraw/zinc/41/60/40/1039416040.db2.gz XHSFOWZKEPQROB-UHFFFAOYSA-N 0 3 395.456 3.680 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CC1)NC(=O)Nc1ccccc12 ZINC001254560254 1040332455 /nfs/dbraw/zinc/33/24/55/1040332455.db2.gz QOWULJPQUISROH-HNNXBMFYSA-N 0 3 380.448 3.652 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001254562609 1040336387 /nfs/dbraw/zinc/33/63/87/1040336387.db2.gz OBKJRNCKYCOMQH-OAHLLOKOSA-N 0 3 393.447 3.850 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001254562373 1040336720 /nfs/dbraw/zinc/33/67/20/1040336720.db2.gz LAUKZKPUYPOQRL-NSHDSACASA-N 0 3 384.358 3.807 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC12CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254592422 1040364702 /nfs/dbraw/zinc/36/47/02/1040364702.db2.gz DBBTVMCSLYBHLO-GOSISDBHSA-N 0 3 387.480 3.537 20 5 GHBDHN COc1cccc(F)c1CNC1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256086820 1041517581 /nfs/dbraw/zinc/51/75/81/1041517581.db2.gz FWWIXGCGHARXMW-UHFFFAOYSA-N 0 3 389.427 3.510 20 5 GHBDHN CN1CCN(c2ccc(NCc3ccc([N+](=O)[O-])cc3F)c3cnccc32)CC1 ZINC001462670607 1070459950 /nfs/dbraw/zinc/45/99/50/1070459950.db2.gz ZMUCBZLIQSHBKD-UHFFFAOYSA-N 0 3 395.438 3.646 20 5 GHBDHN C[C@@H]1CN(CCCCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001307068272 1049051824 /nfs/dbraw/zinc/05/18/24/1049051824.db2.gz FFQGTHFPORJFPS-BETUJISGSA-N 0 3 375.391 3.915 20 5 GHBDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC001307942518 1049712503 /nfs/dbraw/zinc/71/25/03/1049712503.db2.gz NHPZCDPFBXIXAZ-MRXNPFEDSA-N 0 3 379.432 3.756 20 5 GHBDHN C[C@H]1COC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001308531320 1050000117 /nfs/dbraw/zinc/00/01/17/1050000117.db2.gz SUSBJKKJWAEKDE-BONVTDFDSA-N 0 3 381.226 3.742 20 5 GHBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)Cc2cn(C)c3ccc(F)cc23)c1[N+](=O)[O-] ZINC001308817231 1050105342 /nfs/dbraw/zinc/10/53/42/1050105342.db2.gz OGCVCIFHZVDPNO-LBPRGKRZSA-N 0 3 387.411 3.661 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001310261507 1051255433 /nfs/dbraw/zinc/25/54/33/1051255433.db2.gz JHDKEDINGAUHAI-GUYCJALGSA-N 0 3 388.855 3.890 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(Br)c1 ZINC001324384162 1057123360 /nfs/dbraw/zinc/12/33/60/1057123360.db2.gz SBEXLEMACXKASK-IMJJTQAJSA-N 0 3 381.270 3.795 20 5 GHBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001452645003 1060977898 /nfs/dbraw/zinc/97/78/98/1060977898.db2.gz KZAWODIPKRDGKM-RYUDHWBXSA-N 0 3 390.242 3.787 20 5 GHBDHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001455073014 1061992101 /nfs/dbraw/zinc/99/21/01/1061992101.db2.gz XOFORKHIAHMKRH-GOSISDBHSA-N 0 3 385.439 3.861 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001436142493 1063232564 /nfs/dbraw/zinc/23/25/64/1063232564.db2.gz UOEGKJCVJRWQDF-GHTZIAJQSA-N 0 3 397.450 3.809 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001436142507 1063232627 /nfs/dbraw/zinc/23/26/27/1063232627.db2.gz UOEGKJCVJRWQDF-WIYYLYMNSA-N 0 3 397.450 3.809 20 5 GHBDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C12CCCCC2 ZINC001460060531 1064385753 /nfs/dbraw/zinc/38/57/53/1064385753.db2.gz CPZUUDFXGVWJOW-DLBZAZTESA-N 0 3 375.469 3.559 20 5 GHBDHN Cc1c(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001467401204 1067276570 /nfs/dbraw/zinc/27/65/70/1067276570.db2.gz GHAUDVFUXCJJBR-LLVKDONJSA-N 0 3 386.374 3.694 20 5 GHBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC001460311281 1068919260 /nfs/dbraw/zinc/91/92/60/1068919260.db2.gz UMOJKHOMGINWGX-UHFFFAOYSA-N 0 3 381.411 3.899 20 5 GHBDHN CCN(CC)[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)c1ccsc1 ZINC001472655361 1073598433 /nfs/dbraw/zinc/59/84/33/1073598433.db2.gz JNRRIFKAQOXPII-NSHDSACASA-N 0 3 391.419 3.904 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN2CCC(N3CCc4cc(F)ccc43)CC2)c1 ZINC001473425139 1073959511 /nfs/dbraw/zinc/95/95/11/1073959511.db2.gz BZVJCESLTRGZHG-UHFFFAOYSA-N 0 3 385.439 3.640 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(Cn2ccccc2=O)cc1 ZINC001473959884 1074218614 /nfs/dbraw/zinc/21/86/14/1074218614.db2.gz LDQORVORSLMHHA-UHFFFAOYSA-N 0 3 377.444 3.711 20 5 GHBDHN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1cccc([N+](=O)[O-])c1C ZINC001474032210 1074242157 /nfs/dbraw/zinc/24/21/57/1074242157.db2.gz DFTCYSOUROYWBL-UHFFFAOYSA-N 0 3 391.855 3.992 20 5 GHBDHN COc1ccc(C[C@@H](C)CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC001474378133 1074373830 /nfs/dbraw/zinc/37/38/30/1074373830.db2.gz IEAFSWGMHGPVHW-MRXNPFEDSA-N 0 3 387.455 3.743 20 5 GHBDHN C[C@](CO)(Cc1ccc(F)cc1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001660390172 1126264851 /nfs/dbraw/zinc/26/48/51/1126264851.db2.gz YYLRFRJCIHLRLX-QGZVFWFLSA-N 0 3 397.244 3.580 20 5 GHBDHN Cc1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164728506 720354813 /nfs/dbraw/zinc/35/48/13/720354813.db2.gz VYTZQSUTCFXIRU-LEWJYISDSA-N 0 3 389.459 3.700 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000431801678 837695969 /nfs/dbraw/zinc/69/59/69/837695969.db2.gz SPIUNNSOVVCOGG-LPHOPBHVSA-N 0 3 396.491 3.965 20 5 GHBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000573243496 834586562 /nfs/dbraw/zinc/58/65/62/834586562.db2.gz PHOKXOBGMWBPQS-UKRRQHHQSA-N 0 3 397.401 3.842 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H](c3ccco3)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000102419651 835370344 /nfs/dbraw/zinc/37/03/44/835370344.db2.gz GGFZFLJJJIQFMA-SFHVURJKSA-N 0 3 385.420 3.849 20 5 GHBDHN CCCCNC(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000179330551 835531437 /nfs/dbraw/zinc/53/14/37/835531437.db2.gz LKRMPSJCEXUDSC-UHFFFAOYSA-N 0 3 385.464 3.983 20 5 GHBDHN Cc1cc(F)ccc1C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000428747720 844061856 /nfs/dbraw/zinc/06/18/56/844061856.db2.gz KBDRQKJAEABOEM-IBGZPJMESA-N 0 3 388.439 3.662 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000611815086 835854952 /nfs/dbraw/zinc/85/49/52/835854952.db2.gz AIWXUUBKEISVGE-HNNXBMFYSA-N 0 3 398.385 3.916 20 5 GHBDHN COc1ccc(NC(=O)CCN(Cc2ccccc2OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411176175 836077609 /nfs/dbraw/zinc/07/76/09/836077609.db2.gz FLJLLGNQSSXUGV-UHFFFAOYSA-N 0 3 399.447 3.605 20 5 GHBDHN Cc1ccc([C@H](C)NCCC(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000411476358 836177185 /nfs/dbraw/zinc/17/71/85/836177185.db2.gz PUMINBQSONIDKE-AWEZNQCLSA-N 0 3 375.856 3.914 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510948251 844243714 /nfs/dbraw/zinc/24/37/14/844243714.db2.gz IQPKALJKRURJIW-CRAIPNDOSA-N 0 3 398.463 3.951 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510948253 844243965 /nfs/dbraw/zinc/24/39/65/844243965.db2.gz IQPKALJKRURJIW-MAUKXSAKSA-N 0 3 398.463 3.951 20 5 GHBDHN COc1ccc(C)cc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000547831952 837191187 /nfs/dbraw/zinc/19/11/87/837191187.db2.gz AKBANPYUUMNXRU-UHFFFAOYSA-N 0 3 395.463 3.500 20 5 GHBDHN CCc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471423851 837851196 /nfs/dbraw/zinc/85/11/96/837851196.db2.gz KDTMGQRPPQGWDJ-QGZVFWFLSA-N 0 3 381.476 3.894 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000893067054 837924094 /nfs/dbraw/zinc/92/40/94/837924094.db2.gz KEAJSIYZSRDWHE-YLJYHZDGSA-N 0 3 386.448 3.875 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000893067052 837924374 /nfs/dbraw/zinc/92/43/74/837924374.db2.gz KEAJSIYZSRDWHE-XLIONFOSSA-N 0 3 386.448 3.875 20 5 GHBDHN CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(CCC(F)(F)F)CC1 ZINC000452125063 838025050 /nfs/dbraw/zinc/02/50/50/838025050.db2.gz YESIIXUFPVWZKM-UHFFFAOYSA-N 0 3 381.345 3.722 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189607238 838317963 /nfs/dbraw/zinc/31/79/63/838317963.db2.gz FDGYIGPWAYZEKC-CZUORRHYSA-N 0 3 376.375 3.567 20 5 GHBDHN CC(C)COC[C@@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236626995 838874140 /nfs/dbraw/zinc/87/41/40/838874140.db2.gz PFKDFGKGNVETAM-AWEZNQCLSA-N 0 3 382.844 3.631 20 5 GHBDHN O=C(CCN1CCC(Oc2cccc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599504503 861258507 /nfs/dbraw/zinc/25/85/07/861258507.db2.gz AHJQPKLRYQGUNR-UHFFFAOYSA-N 0 3 387.411 3.606 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600230621 861316983 /nfs/dbraw/zinc/31/69/83/861316983.db2.gz WWDCPDNOONSLGS-INIZCTEOSA-N 0 3 377.510 3.844 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000581903992 842568166 /nfs/dbraw/zinc/56/81/66/842568166.db2.gz WCRAFOCACVVXDZ-FZMZJTMJSA-N 0 3 397.378 3.648 20 5 GHBDHN CC(C)(C)C(=O)NCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236794214 843328052 /nfs/dbraw/zinc/32/80/52/843328052.db2.gz BXKNNIBGPHVHKQ-UHFFFAOYSA-N 0 3 389.427 3.778 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000610669298 843456372 /nfs/dbraw/zinc/45/63/72/843456372.db2.gz QBBUAYZWHYSHRX-GOSISDBHSA-N 0 3 381.476 3.650 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000128894214 843859536 /nfs/dbraw/zinc/85/95/36/843859536.db2.gz OMYOITIQIXPFCK-UHFFFAOYSA-N 0 3 377.828 3.578 20 5 GHBDHN CCOCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000500753739 843953263 /nfs/dbraw/zinc/95/32/63/843953263.db2.gz UXPAONZSAZXUHZ-UHFFFAOYSA-N 0 3 380.448 3.916 20 5 GHBDHN CC(C)NC(=O)c1ccc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000028740025 861564992 /nfs/dbraw/zinc/56/49/92/861564992.db2.gz YQZBUZHWPOGNOX-INIZCTEOSA-N 0 3 376.482 3.509 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000934194494 845742527 /nfs/dbraw/zinc/74/25/27/845742527.db2.gz GCSRWRWRNJQYES-FGZHOGPDSA-N 0 3 393.487 3.821 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000478450717 847082086 /nfs/dbraw/zinc/08/20/86/847082086.db2.gz WSGSOVNGXYIQDX-HXUWFJFHSA-N 0 3 384.480 3.568 20 5 GHBDHN CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475004893 861780626 /nfs/dbraw/zinc/78/06/26/861780626.db2.gz XAGMAFPIEHDIAQ-SFHVURJKSA-N 0 3 398.463 3.732 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420993010 847615361 /nfs/dbraw/zinc/61/53/61/847615361.db2.gz LOZRHGBKTMSZAR-INIZCTEOSA-N 0 3 393.390 3.918 20 5 GHBDHN CCOc1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503408375 847686617 /nfs/dbraw/zinc/68/66/17/847686617.db2.gz STTRRAQVLBOULX-QGZVFWFLSA-N 0 3 384.480 3.906 20 5 GHBDHN C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604127373 861862582 /nfs/dbraw/zinc/86/25/82/861862582.db2.gz VESZZPIQLCWDFI-VQIMIIECSA-N 0 3 382.464 3.620 20 5 GHBDHN C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000505580691 849959938 /nfs/dbraw/zinc/95/99/38/849959938.db2.gz HWIWFUFBEWMMLX-KUHUBIRLSA-N 0 3 387.455 3.819 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000518782757 850090894 /nfs/dbraw/zinc/09/08/94/850090894.db2.gz KZHURXFQEVGRIW-GRDNDAEWSA-N 0 3 377.510 3.509 20 5 GHBDHN CNC(=O)[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(C)C ZINC000486801914 850125087 /nfs/dbraw/zinc/12/50/87/850125087.db2.gz RLCDNEQGIUBMIY-SFHVURJKSA-N 0 3 391.855 3.901 20 5 GHBDHN C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000488965178 851898148 /nfs/dbraw/zinc/89/81/48/851898148.db2.gz CFNWKRQMTMSXSG-MRXNPFEDSA-N 0 3 384.480 3.650 20 5 GHBDHN CC(C)(NC(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000489078984 851985920 /nfs/dbraw/zinc/98/59/20/851985920.db2.gz SCYLXNKBHDMPGL-GOSISDBHSA-N 0 3 396.491 3.794 20 5 GHBDHN CCOc1ccc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000490824791 853277189 /nfs/dbraw/zinc/27/71/89/853277189.db2.gz IAAQNHIQAQCBLK-UHFFFAOYSA-N 0 3 383.448 3.987 20 5 GHBDHN CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729479899 853370744 /nfs/dbraw/zinc/37/07/44/853370744.db2.gz GLCKFTQUMWTYCJ-INIZCTEOSA-N 0 3 393.484 3.825 20 5 GHBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000518475391 853391498 /nfs/dbraw/zinc/39/14/98/853391498.db2.gz SNSPUHDIBLOMGU-ROUUACIJSA-N 0 3 397.258 3.871 20 5 GHBDHN CC(C)c1ccc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)cc1[N+](=O)[O-] ZINC000439514753 853719672 /nfs/dbraw/zinc/71/96/72/853719672.db2.gz PCTQLEQYUIYSDX-UHFFFAOYSA-N 0 3 397.475 3.927 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441373563 854157118 /nfs/dbraw/zinc/15/71/18/854157118.db2.gz BRRWDUWPTRAHRH-KGLIPLIRSA-N 0 3 387.402 3.779 20 5 GHBDHN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000588841131 854543263 /nfs/dbraw/zinc/54/32/63/854543263.db2.gz VKFRPTDHWLCUDP-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000589494196 854907459 /nfs/dbraw/zinc/90/74/59/854907459.db2.gz IXQVYJGSJFVJQM-OAHLLOKOSA-N 0 3 386.448 3.843 20 5 GHBDHN COc1ccc(NC(=O)CCN2C[C@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000591026250 855746362 /nfs/dbraw/zinc/74/63/62/855746362.db2.gz ZPSJDYGGYVQOPR-VXGBXAGGSA-N 0 3 389.374 3.595 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2ccccc2F)CCC1 ZINC000592145398 856697195 /nfs/dbraw/zinc/69/71/95/856697195.db2.gz XZFQFKMQBNETTH-UHFFFAOYSA-N 0 3 387.411 3.740 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-n3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000174377912 857276076 /nfs/dbraw/zinc/27/60/76/857276076.db2.gz VZNRDIAJCTUZRJ-JKSUJKDBSA-N 0 3 393.447 3.767 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000521485218 858055745 /nfs/dbraw/zinc/05/57/45/858055745.db2.gz HUZSFVHCBPIJSP-NRFANRHFSA-N 0 3 396.491 3.536 20 5 GHBDHN COCCOc1ccc([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000594495452 858192335 /nfs/dbraw/zinc/19/23/35/858192335.db2.gz YEJKHMVDOPPSST-KBXCAEBGSA-N 0 3 386.448 3.967 20 5 GHBDHN O=C(CC1CCCC1)NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066874838 858330672 /nfs/dbraw/zinc/33/06/72/858330672.db2.gz LAPFQUBLCDVHHV-UHFFFAOYSA-N 0 3 389.496 3.525 20 5 GHBDHN CO[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCOC1 ZINC000594950115 858343504 /nfs/dbraw/zinc/34/35/04/858343504.db2.gz INNQDFAGGTUMKK-KPZWWZAWSA-N 0 3 380.828 3.649 20 5 GHBDHN NC(=O)CC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000594999519 858361731 /nfs/dbraw/zinc/36/17/31/858361731.db2.gz BAGYZPFWBAOJQV-UHFFFAOYSA-N 0 3 388.493 3.634 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000575040887 858502283 /nfs/dbraw/zinc/50/22/83/858502283.db2.gz SSAOCUPCPQPAGZ-KOMQPUFPSA-N 0 3 394.880 3.558 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3cc(C)sc3[N+](=O)[O-])CC2)cc1 ZINC000596267502 858831649 /nfs/dbraw/zinc/83/16/49/858831649.db2.gz ZTPLKPNXVNEQPN-UHFFFAOYSA-N 0 3 388.493 4.000 20 5 GHBDHN O=[N+]([O-])c1ccc(CN2CCC(CCCN3CCOCC3)CC2)c(Cl)c1 ZINC000543903184 858863692 /nfs/dbraw/zinc/86/36/92/858863692.db2.gz BJVMEBWJNWSQCL-UHFFFAOYSA-N 0 3 381.904 3.573 20 5 GHBDHN COc1ccc(C[C@H](C)NCc2cn(Cc3ccccc3F)cn2)c([N+](=O)[O-])c1 ZINC001170321359 881355940 /nfs/dbraw/zinc/35/59/40/881355940.db2.gz ATNNLKYVSSOKKH-HNNXBMFYSA-N 0 3 398.438 3.708 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC[C@H](c3nc(C(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC001170352625 881389973 /nfs/dbraw/zinc/38/99/73/881389973.db2.gz OUSRZOGMZMNRDT-HOCLYGCPSA-N 0 3 388.468 3.920 20 5 GHBDHN COc1cc(CN(C)CC2=CCCOC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597207269 859346451 /nfs/dbraw/zinc/34/64/51/859346451.db2.gz ZIJHFVLNMYDERT-UHFFFAOYSA-N 0 3 398.459 3.961 20 5 GHBDHN COc1cc(OC)cc(OCCCNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000543414009 859638182 /nfs/dbraw/zinc/63/81/82/859638182.db2.gz LHRUXPDBMYCMAX-UHFFFAOYSA-N 0 3 380.828 3.824 20 5 GHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026799 859750766 /nfs/dbraw/zinc/75/07/66/859750766.db2.gz KUESDKALNRAKLO-FOIQADDNSA-N 0 3 375.469 3.989 20 5 GHBDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000611555159 859804005 /nfs/dbraw/zinc/80/40/05/859804005.db2.gz PNGWMSAPWUVZNO-NEPJUHHUSA-N 0 3 387.358 3.556 20 5 GHBDHN CCN(C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161392654 859924738 /nfs/dbraw/zinc/92/47/38/859924738.db2.gz ZJHAZEQZIMLZOE-GOSISDBHSA-N 0 3 398.463 3.732 20 5 GHBDHN CCCc1noc([C@H]2CCCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C2)n1 ZINC001170352044 881494199 /nfs/dbraw/zinc/49/41/99/881494199.db2.gz KGFAQPBXXQLKIR-HOCLYGCPSA-N 0 3 388.468 3.750 20 5 GHBDHN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(N2CCNC2=O)cc1 ZINC000842899261 860070815 /nfs/dbraw/zinc/07/08/15/860070815.db2.gz CZFZKPLAVNGZMI-JLTOFOAXSA-N 0 3 380.448 3.853 20 5 GHBDHN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000568684695 860507201 /nfs/dbraw/zinc/50/72/01/860507201.db2.gz YTQKOILKMSYOKH-LPHOPBHVSA-N 0 3 385.855 3.660 20 5 GHBDHN C[C@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185488379 860533154 /nfs/dbraw/zinc/53/31/54/860533154.db2.gz ILLOUQVJVLEDGF-INIZCTEOSA-N 0 3 399.466 3.960 20 5 GHBDHN Cc1ccc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025534885 860535086 /nfs/dbraw/zinc/53/50/86/860535086.db2.gz LAPBKNIDLTYKBN-OAQYLSRUSA-N 0 3 381.476 3.716 20 5 GHBDHN COc1ccc([C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000603474521 860736415 /nfs/dbraw/zinc/73/64/15/860736415.db2.gz CKMOJAJLTKCBKI-INIZCTEOSA-N 0 3 379.844 3.980 20 5 GHBDHN CCN(CC)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000474789970 860793772 /nfs/dbraw/zinc/79/37/72/860793772.db2.gz LNVDCUDOHFYZTD-CYBMUJFWSA-N 0 3 383.246 3.840 20 5 GHBDHN CCOC1CC(O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000444010595 863147033 /nfs/dbraw/zinc/14/70/33/863147033.db2.gz NEAYBRHAHZVSTC-UHFFFAOYSA-N 0 3 380.828 3.528 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000522881741 863629751 /nfs/dbraw/zinc/62/97/51/863629751.db2.gz MPZWPGJGCTWDOV-GOSISDBHSA-N 0 3 375.856 3.843 20 5 GHBDHN COc1cc(CCCNCc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1O ZINC000856812388 881765150 /nfs/dbraw/zinc/76/51/50/881765150.db2.gz NOQSGRYNGHAJRN-UHFFFAOYSA-N 0 3 380.828 3.693 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000554634277 864636348 /nfs/dbraw/zinc/63/63/48/864636348.db2.gz SRIMVIOEWQIBCK-GUYCJALGSA-N 0 3 391.443 3.850 20 5 GHBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1ncnn1-c1ccccc1 ZINC000475264465 864658721 /nfs/dbraw/zinc/65/87/21/864658721.db2.gz FWEXOEQLYUTQQT-VQIMIIECSA-N 0 3 377.448 3.677 20 5 GHBDHN C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184912908 865038577 /nfs/dbraw/zinc/03/85/77/865038577.db2.gz AOWMRJPZBSOWTK-DYVFJYSZSA-N 0 3 391.468 3.852 20 5 GHBDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736593297 865244151 /nfs/dbraw/zinc/24/41/51/865244151.db2.gz FBUSNMYTFWWDBA-RHSMWYFYSA-N 0 3 381.411 3.828 20 5 GHBDHN Cc1cc(NCCN2CCc3ccccc3C2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302715647 865888567 /nfs/dbraw/zinc/88/85/67/865888567.db2.gz NAVZOUIXMZPVOY-UHFFFAOYSA-N 0 3 376.416 3.562 20 5 GHBDHN CCOc1cc(N2CCN(C[C@@H](C)CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000475509863 866119819 /nfs/dbraw/zinc/11/98/19/866119819.db2.gz HDMHQJHGOGOFDC-KRWDZBQOSA-N 0 3 391.512 3.568 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000475575148 866387594 /nfs/dbraw/zinc/38/75/94/866387594.db2.gz YZICYTGQLPENMV-VQIMIIECSA-N 0 3 382.464 3.854 20 5 GHBDHN Cc1ccc(CNC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000183309056 866601768 /nfs/dbraw/zinc/60/17/68/866601768.db2.gz HLCMSQXLQNRTLV-UHFFFAOYSA-N 0 3 381.476 3.740 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000440494479 866966073 /nfs/dbraw/zinc/96/60/73/866966073.db2.gz MGBZMEXCPBATTD-AWEZNQCLSA-N 0 3 396.369 3.574 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000553390762 867309400 /nfs/dbraw/zinc/30/94/00/867309400.db2.gz MPMDJPYVSHYGIK-HXUWFJFHSA-N 0 3 396.491 3.616 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248782286 867365178 /nfs/dbraw/zinc/36/51/78/867365178.db2.gz IAVHLXZSFMBIAK-UIFIKXQLSA-N 0 3 381.476 3.725 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000523890260 868202530 /nfs/dbraw/zinc/20/25/30/868202530.db2.gz PPHBFGJAKSKGMI-UHFFFAOYSA-N 0 3 396.491 3.753 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000535204599 868345016 /nfs/dbraw/zinc/34/50/16/868345016.db2.gz CTTJPSOHZCZQIK-SFHVURJKSA-N 0 3 380.448 3.926 20 5 GHBDHN C[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000183983195 868859849 /nfs/dbraw/zinc/85/98/49/868859849.db2.gz RZLOCVRBAPLRAA-CRAIPNDOSA-N 0 3 385.439 3.618 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)Cc1c(F)cccc1Cl ZINC000525182421 870124075 /nfs/dbraw/zinc/12/40/75/870124075.db2.gz VTPHSJBPGAELHK-CYBMUJFWSA-N 0 3 396.846 3.727 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000577018257 870263783 /nfs/dbraw/zinc/26/37/83/870263783.db2.gz RDOWHUZYDCJCPB-XJKSGUPXSA-N 0 3 382.420 3.595 20 5 GHBDHN CNc1c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000462929888 870430012 /nfs/dbraw/zinc/43/00/12/870430012.db2.gz YDWIKTAJJDOQCW-IBGZPJMESA-N 0 3 382.464 3.512 20 5 GHBDHN Cc1c([C@H](C)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000540190570 870686851 /nfs/dbraw/zinc/68/68/51/870686851.db2.gz TWOFUVIBZBAAPZ-MRCYXTNMSA-N 0 3 379.460 3.711 20 5 GHBDHN CC(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1 ZINC000540403161 871186267 /nfs/dbraw/zinc/18/62/67/871186267.db2.gz AFRLOTGWIQKAOF-OAQYLSRUSA-N 0 3 392.455 3.888 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(CC)CC ZINC001169569867 871644622 /nfs/dbraw/zinc/64/46/22/871644622.db2.gz VIHWGDSJEPWSSY-HZPDHXFCSA-N 0 3 383.876 3.760 20 5 GHBDHN COC(=O)c1ccccc1OCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194478460 871739870 /nfs/dbraw/zinc/73/98/70/871739870.db2.gz WMPAEPASRVCKCG-QGZVFWFLSA-N 0 3 384.432 3.640 20 5 GHBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000128103887 871834200 /nfs/dbraw/zinc/83/42/00/871834200.db2.gz AQBPCLSUZJZMFZ-OAHLLOKOSA-N 0 3 377.510 3.844 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCS(=O)(=O)Cc1ccccc1 ZINC000127445501 882565907 /nfs/dbraw/zinc/56/59/07/882565907.db2.gz LXHRNRWUJVPFEO-INIZCTEOSA-N 0 3 376.478 3.559 20 5 GHBDHN COc1ccc(CN(C)C[C@H]2CCCO2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128119821 871992611 /nfs/dbraw/zinc/99/26/11/871992611.db2.gz DSSKUIXNCUGKCX-LJQANCHMSA-N 0 3 386.448 3.793 20 5 GHBDHN CC(C)[C@H](NCc1cc([N+](=O)[O-])ccc1Br)C1(CO)CC=CC1 ZINC001195439197 872389669 /nfs/dbraw/zinc/38/96/69/872389669.db2.gz JKITVZRLYMAMSK-INIZCTEOSA-N 0 3 383.286 3.800 20 5 GHBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000619567147 872746323 /nfs/dbraw/zinc/74/63/23/872746323.db2.gz VNOJCEDQMRGQCZ-GOSISDBHSA-N 0 3 382.464 3.895 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000775692700 872948323 /nfs/dbraw/zinc/94/83/23/872948323.db2.gz FLMMHLSNPBJKQP-CJNGLKHVSA-N 0 3 381.448 3.907 20 5 GHBDHN CC1(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)OCCO1 ZINC000768634110 873457350 /nfs/dbraw/zinc/45/73/50/873457350.db2.gz SDZYEFSSSUSBEX-UHFFFAOYSA-N 0 3 378.812 3.893 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000448602278 873655916 /nfs/dbraw/zinc/65/59/16/873655916.db2.gz AEMILNPZOOVZCG-OAHLLOKOSA-N 0 3 395.381 3.516 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858046717 882782517 /nfs/dbraw/zinc/78/25/17/882782517.db2.gz PUKIYZXFPWWRBT-HXUWFJFHSA-N 0 3 383.448 3.789 20 5 GHBDHN C[C@H]1[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCCN1C ZINC000441301594 874190869 /nfs/dbraw/zinc/19/08/69/874190869.db2.gz HQIHWLSXYQYASA-GOEBONIOSA-N 0 3 385.489 3.959 20 5 GHBDHN CNC(=O)C[C@@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000449604165 875129693 /nfs/dbraw/zinc/12/96/93/875129693.db2.gz SJAYSXCMVLKGSW-GFCCVEGCSA-N 0 3 377.828 3.655 20 5 GHBDHN O=[N+]([O-])c1cccc(Br)c1CNCCCc1nc2ccccc2[nH]1 ZINC001199812473 875195614 /nfs/dbraw/zinc/19/56/14/875195614.db2.gz JWMUOPURVADCQH-UHFFFAOYSA-N 0 3 389.253 3.956 20 5 GHBDHN Cc1cc2cc3cc(C)c(Nc4cnn(CC5OCCO5)c4)cc3nc2cc1N ZINC001201271048 875604741 /nfs/dbraw/zinc/60/47/41/875604741.db2.gz BVCZFSZIRDCWEC-UHFFFAOYSA-N 0 3 389.459 3.900 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000804566254 883051074 /nfs/dbraw/zinc/05/10/74/883051074.db2.gz OARCOTYTUMVINW-UHFFFAOYSA-N 0 3 388.512 3.533 20 5 GHBDHN CC(C)(C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610045721 877326974 /nfs/dbraw/zinc/32/69/74/877326974.db2.gz LRBWHCXTQFSKRH-HXUWFJFHSA-N 0 3 381.476 3.653 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000610059161 877343924 /nfs/dbraw/zinc/34/39/24/877343924.db2.gz XAQUSVHWLPSEBN-HXUWFJFHSA-N 0 3 383.492 3.854 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000537865409 878415832 /nfs/dbraw/zinc/41/58/32/878415832.db2.gz ZTWNADSQVPYZSS-SFHVURJKSA-N 0 3 383.448 3.560 20 5 GHBDHN O=C(N1CCC[C@@H](C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1)C(F)(F)F ZINC000852600238 878455088 /nfs/dbraw/zinc/45/50/88/878455088.db2.gz FQSRQKHNRGPBEH-MRXNPFEDSA-N 0 3 399.413 3.608 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789315577 878796773 /nfs/dbraw/zinc/79/67/73/878796773.db2.gz VCVMOWZVKFPSDF-UHFFFAOYSA-N 0 3 391.855 3.813 20 5 GHBDHN CN1CCC[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1=O ZINC000531121611 879171014 /nfs/dbraw/zinc/17/10/14/879171014.db2.gz YJBXKMBEDPJHRG-MRXNPFEDSA-N 0 3 389.839 3.751 20 5 GHBDHN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000531302127 879548770 /nfs/dbraw/zinc/54/87/70/879548770.db2.gz PVTLVJWSMPKCQZ-SFHVURJKSA-N 0 3 392.459 3.813 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)Nc1cccnc1C ZINC000453468462 880977296 /nfs/dbraw/zinc/97/72/96/880977296.db2.gz ZJZJDYASIKZSBP-LSDHHAIUSA-N 0 3 388.493 3.786 20 5 GHBDHN COc1ccc(C[C@@H](C)NCc2cc(C)c(Br)cn2)c([N+](=O)[O-])c1 ZINC001170305591 881325184 /nfs/dbraw/zinc/32/51/84/881325184.db2.gz NMVDFCWYIUGVDB-GFCCVEGCSA-N 0 3 394.269 3.790 20 5 GHBDHN COc1cc(C[NH2+]CCCc2cccc(Br)c2)c([N+](=O)[O-])cc1[O-] ZINC000609419967 883175032 /nfs/dbraw/zinc/17/50/32/883175032.db2.gz UQXWLTNECFLRDT-UHFFFAOYSA-N 0 3 395.253 3.794 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000609792430 883686630 /nfs/dbraw/zinc/68/66/30/883686630.db2.gz NVOAFYATWGVZSD-KRWDZBQOSA-N 0 3 387.867 3.572 20 5 GHBDHN CN(C)C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000859845595 884118420 /nfs/dbraw/zinc/11/84/20/884118420.db2.gz YNMVGQQDRMWQHT-ZWKOTPCHSA-N 0 3 398.290 3.828 20 5 GHBDHN Cc1ccc([C@H](C)N[C@@H](C)Cn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000556261442 884272178 /nfs/dbraw/zinc/27/21/78/884272178.db2.gz SBVJRIZQICJOIH-STQMWFEESA-N 0 3 394.269 3.567 20 5 GHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1[C@@H]1CCOC1 ZINC000860855351 885055646 /nfs/dbraw/zinc/05/56/46/885055646.db2.gz YCZGDHCBEBQFBC-CLCXKQKWSA-N 0 3 390.411 3.769 20 5 GHBDHN COCC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000495386322 885622318 /nfs/dbraw/zinc/62/23/18/885622318.db2.gz UVUCRBIVOVYYTR-DYVFJYSZSA-N 0 3 375.425 3.581 20 5 GHBDHN COc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000193352654 885668430 /nfs/dbraw/zinc/66/84/30/885668430.db2.gz ODVYHMBMBVHJHN-ZUOKHONESA-N 0 3 399.447 3.680 20 5 GHBDHN C[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000556870353 886424304 /nfs/dbraw/zinc/42/43/04/886424304.db2.gz NAPHJSKDPAGYPI-UWJYYQICSA-N 0 3 393.491 3.528 20 5 GHBDHN O=C1OC[C@H]2CN(Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)C[C@@H]12 ZINC000862545464 886458842 /nfs/dbraw/zinc/45/88/42/886458842.db2.gz TYQLBENQUCJWTA-CZUORRHYSA-N 0 3 388.807 3.645 20 5 GHBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000195151741 886507311 /nfs/dbraw/zinc/50/73/11/886507311.db2.gz QVINDFXAKRMANL-UHFFFAOYSA-N 0 3 391.468 3.660 20 5 GHBDHN COc1ccc(CNC(C)(C)COc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000532617745 886516288 /nfs/dbraw/zinc/51/62/88/886516288.db2.gz SJWODTPZTLRGDU-UHFFFAOYSA-N 0 3 399.369 3.964 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCC2 ZINC000809559806 887539664 /nfs/dbraw/zinc/53/96/64/887539664.db2.gz AZZWUUXIDFPYSG-HZPDHXFCSA-N 0 3 381.860 3.514 20 5 GHBDHN COc1c(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001132118646 888222986 /nfs/dbraw/zinc/22/29/86/888222986.db2.gz VCEZNFSFPYURPO-SFHVURJKSA-N 0 3 397.475 3.778 20 5 GHBDHN C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000194457952 888338764 /nfs/dbraw/zinc/33/87/64/888338764.db2.gz IDWQSIFUEGSRIO-OXQOHEQNSA-N 0 3 382.464 3.792 20 5 GHBDHN C[C@H](NCC1CCN(C(=O)c2ccccc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037564 891128685 /nfs/dbraw/zinc/12/86/85/891128685.db2.gz GEDJOKQLBMPMQF-HNNXBMFYSA-N 0 3 385.439 3.937 20 5 GHBDHN CC(COC(=O)c1ccccc1OCc1ccccc1Br)[N+](=O)[O-] ZINC000813102970 891273460 /nfs/dbraw/zinc/27/34/60/891273460.db2.gz WXKOVEDMSMEWDF-GFCCVEGCSA-N 0 3 394.221 3.850 20 5 GHBDHN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813105642 891276908 /nfs/dbraw/zinc/27/69/08/891276908.db2.gz RAHAJWVCIKDRJS-SECBINFHSA-N 0 3 379.825 3.871 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H]3CCc3ccccc3)n2)cc1 ZINC000917479359 892043155 /nfs/dbraw/zinc/04/31/55/892043155.db2.gz ZWXNVHHYJMPSTE-IBGZPJMESA-N 0 3 377.448 3.908 20 5 GHBDHN COCc1ccccc1/C=C(/C)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000508677400 892257492 /nfs/dbraw/zinc/25/74/92/892257492.db2.gz HADCNGYTRYSQRU-JVCXIRSZSA-N 0 3 382.464 3.726 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)o2)c(Cl)c1 ZINC000126051196 893252303 /nfs/dbraw/zinc/25/23/03/893252303.db2.gz MMYVNIWUWLIZGF-UHFFFAOYSA-N 0 3 378.812 3.847 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cc4nc(Cl)ccc4s3)CC2)n1 ZINC000877484215 893638877 /nfs/dbraw/zinc/63/88/77/893638877.db2.gz XSCUONAFWAQNQU-UHFFFAOYSA-N 0 3 377.857 3.892 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cc(Cl)ccc3Br)C2)c1 ZINC000877603186 893710759 /nfs/dbraw/zinc/71/07/59/893710759.db2.gz HFRMDUYULDZLJT-UHFFFAOYSA-N 0 3 385.649 3.701 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000007684783 893933454 /nfs/dbraw/zinc/93/34/54/893933454.db2.gz ZGQDZOISORKZPZ-SFHVURJKSA-N 0 3 375.856 3.843 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000537074473 894296258 /nfs/dbraw/zinc/29/62/58/894296258.db2.gz ITQGSYWGHHUZFH-XHDPSFHLSA-N 0 3 385.247 3.992 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102366 895515624 /nfs/dbraw/zinc/51/56/24/895515624.db2.gz YIGHEFVNCXYRMS-LBPRGKRZSA-N 0 3 396.369 3.996 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001135926344 895702485 /nfs/dbraw/zinc/70/24/85/895702485.db2.gz HZYGRNKIGNGXMS-IBGZPJMESA-N 0 3 389.883 3.772 20 5 GHBDHN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000819641101 896881071 /nfs/dbraw/zinc/88/10/71/896881071.db2.gz ZFGCJLFUDFQCPY-MAUKXSAKSA-N 0 3 385.851 3.595 20 5 GHBDHN CC(C)CN(C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000282907261 899466641 /nfs/dbraw/zinc/46/66/41/899466641.db2.gz BHNQEHWTPIWGGI-UHFFFAOYSA-N 0 3 396.491 3.849 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000571465631 899877981 /nfs/dbraw/zinc/87/79/81/899877981.db2.gz XDQQLYCLACCQPU-LAUBAEHRSA-N 0 3 381.476 3.960 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC3(CCCCC3)CC2)c1 ZINC000574467274 900900104 /nfs/dbraw/zinc/90/01/04/900900104.db2.gz PUOFDRYYOQTCHT-UHFFFAOYSA-N 0 3 389.496 3.770 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000158369643 901290786 /nfs/dbraw/zinc/29/07/86/901290786.db2.gz GZSXMHDAZWXQAI-OAHLLOKOSA-N 0 3 387.867 3.985 20 5 GHBDHN COc1cccc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1OC ZINC000845874216 902477932 /nfs/dbraw/zinc/47/79/32/902477932.db2.gz YJZFQVJYMVCQKN-ORAYPTAESA-N 0 3 391.395 3.725 20 5 GHBDHN CC([C@H](OC(=O)c1ccnc(N2CC[C@@H](C)C2)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874285 902477941 /nfs/dbraw/zinc/47/79/41/902477941.db2.gz GXSGJJAUCRDYQM-TYILLQQXSA-N 0 3 387.411 3.630 20 5 GHBDHN CC([C@@H](OC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1F)[N+](=O)[O-] ZINC000845881153 902485539 /nfs/dbraw/zinc/48/55/39/902485539.db2.gz YJPZNPIKSXJCGP-PIGZYNQJSA-N 0 3 386.379 3.619 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845884050 902489469 /nfs/dbraw/zinc/48/94/69/902489469.db2.gz WXSYYFFXMQQHMI-JFILPPLUSA-N 0 3 398.431 3.625 20 5 GHBDHN CC([C@@H](OC(=O)c1sc(N(C)C)nc1Cl)c1ccccc1F)[N+](=O)[O-] ZINC000845884017 902489748 /nfs/dbraw/zinc/48/97/48/902489748.db2.gz WHVPDYRZQOQFGG-LDYMZIIASA-N 0 3 387.820 3.565 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845884051 902489914 /nfs/dbraw/zinc/48/99/14/902489914.db2.gz WXSYYFFXMQQHMI-QCQGSNGOSA-N 0 3 398.431 3.625 20 5 GHBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(F)cc2Br)n1 ZINC000577338411 902696730 /nfs/dbraw/zinc/69/67/30/902696730.db2.gz CTDWWURVGPTPOS-CABCVRRESA-N 0 3 397.248 3.966 20 5 GHBDHN COc1cc(CNC[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000578803403 904133615 /nfs/dbraw/zinc/13/36/15/904133615.db2.gz VKRMFYCIUOPDKT-ZDUSSCGKSA-N 0 3 394.374 3.513 20 5 GHBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000151876435 904207545 /nfs/dbraw/zinc/20/75/45/904207545.db2.gz KJAVEJMCVUZJFS-MRXNPFEDSA-N 0 3 399.495 3.575 20 5 GHBDHN COc1cccc(F)c1CNC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012492 906090118 /nfs/dbraw/zinc/09/01/18/906090118.db2.gz UGIPIGMTTWQKMK-UHFFFAOYSA-N 0 3 395.381 3.779 20 5 GHBDHN CCCCCCN1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173190955 906272438 /nfs/dbraw/zinc/27/24/38/906272438.db2.gz YDEXQGYKEQPWHQ-MRXNPFEDSA-N 0 3 381.492 3.871 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC3(CCOC3(C)C)CC2)c1F ZINC001173193062 906277363 /nfs/dbraw/zinc/27/73/63/906277363.db2.gz OYNPUDCXODRHMV-AWEZNQCLSA-N 0 3 380.460 3.955 20 5 GHBDHN COc1ccccc1Cn1cnc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226755 906309499 /nfs/dbraw/zinc/30/94/99/906309499.db2.gz ZOPNNQFSDOGCJC-MRXNPFEDSA-N 0 3 380.448 3.569 20 5 GHBDHN COc1ccccc1C[C@@](C)(CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001179278687 909469877 /nfs/dbraw/zinc/46/98/77/909469877.db2.gz WTTUAYLOONHCBE-QFIPXVFZSA-N 0 3 396.443 3.947 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001182845768 912056767 /nfs/dbraw/zinc/05/67/67/912056767.db2.gz WSSIJWCTYSJQBK-CYBMUJFWSA-N 0 3 391.855 3.579 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCCc4c3cnn4CCO)s2)cc1 ZINC000365074121 920358433 /nfs/dbraw/zinc/35/84/33/920358433.db2.gz UOUWCEBUYAMMAA-GOSISDBHSA-N 0 3 398.488 3.679 20 5 GHBDHN COc1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000543884517 928533516 /nfs/dbraw/zinc/53/35/16/928533516.db2.gz BXLOEWVKPZVCRR-LJQANCHMSA-N 0 3 398.463 3.870 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000467042795 928631190 /nfs/dbraw/zinc/63/11/90/928631190.db2.gz CKOYUGOUQJTWDF-QFBILLFUSA-N 0 3 381.476 3.652 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000557318321 931340384 /nfs/dbraw/zinc/34/03/84/931340384.db2.gz BGHBLFSSJWTVSM-UHFFFAOYSA-N 0 3 380.370 3.721 20 5 GHBDHN COc1cc(OC)cc(N2CCCN(Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000468144541 1015327921 /nfs/dbraw/zinc/32/79/21/1015327921.db2.gz NHQOAJFSODBSHZ-UHFFFAOYSA-N 0 3 385.464 3.633 20 5 GHBDHN CCN(C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000546893576 1016763050 /nfs/dbraw/zinc/76/30/50/1016763050.db2.gz WTEFCHWINKZQMH-LPHOPBHVSA-N 0 3 399.466 3.960 20 5 GHBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227109067 1032273983 /nfs/dbraw/zinc/27/39/83/1032273983.db2.gz RCLPVTDPPOVFPN-QGZVFWFLSA-N 0 3 386.408 3.578 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(Cl)cc(-n3nc(C(F)(F)F)c4c3CCNC4)c2c1 ZINC001154846528 1032307793 /nfs/dbraw/zinc/30/77/93/1032307793.db2.gz LHYRREOEIVRAGI-UHFFFAOYSA-N 0 3 397.744 3.647 20 5 GHBDHN Cc1ccsc1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000578102001 1020327763 /nfs/dbraw/zinc/32/77/63/1020327763.db2.gz LFIMELCZRLIPON-UHFFFAOYSA-N 0 3 388.230 3.859 20 5 GHBDHN C[Si](C)(C)CCOCN[C@@H]1CCCN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001156466957 1033047926 /nfs/dbraw/zinc/04/79/26/1033047926.db2.gz VOVIVFOQHQMBQL-CQSZACIVSA-N 0 3 386.956 3.514 20 5 GHBDHN CCN1CCC[C@H](NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001156566467 1033105878 /nfs/dbraw/zinc/10/58/78/1033105878.db2.gz HIGFLEUBAHSHAL-INIZCTEOSA-N 0 3 385.489 3.960 20 5 GHBDHN c1ccc2c(c1)c1ccccc1c1nc(NCc3nnn4c3CNCCC4)cnc21 ZINC001162972879 1025993773 /nfs/dbraw/zinc/99/37/73/1025993773.db2.gz KFOOGGSYDFIWHK-UHFFFAOYSA-N 0 3 395.470 3.633 20 5 GHBDHN COCCN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccc(Cl)cc1 ZINC001163385423 1026170746 /nfs/dbraw/zinc/17/07/46/1026170746.db2.gz MFFHPTBXXIPZSH-KRWDZBQOSA-N 0 3 378.860 3.683 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)N2CCCC2)cc1OC ZINC001166910196 1027148919 /nfs/dbraw/zinc/14/89/19/1027148919.db2.gz MDCSDIMPCIKOQJ-IBGZPJMESA-N 0 3 399.447 3.639 20 5 GHBDHN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC001222693415 1030280817 /nfs/dbraw/zinc/28/08/17/1030280817.db2.gz QYMYSSUGUAFCAE-DYESRHJHSA-N 0 3 398.507 3.908 20 5 GHBDHN CC(C)(C)OC(=O)NOCCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001461782512 1069743857 /nfs/dbraw/zinc/74/38/57/1069743857.db2.gz BFWARSTZBQVDFZ-UHFFFAOYSA-N 0 3 391.424 3.791 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001205641811 1033508717 /nfs/dbraw/zinc/50/87/17/1033508717.db2.gz UPDGMRQYOXIFBU-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)ccc1[N+](=O)[O-] ZINC001207137750 1034120743 /nfs/dbraw/zinc/12/07/43/1034120743.db2.gz IOXVRYKTVMOSKE-ZFWWWQNUSA-N 0 3 390.440 3.837 20 5 GHBDHN Cc1cccc(CN2CCO[C@H](CNCc3ccc([N+](=O)[O-])c(Cl)c3)C2)c1 ZINC001207176005 1034147451 /nfs/dbraw/zinc/14/74/51/1034147451.db2.gz XIIFRLTUQHGYPH-GOSISDBHSA-N 0 3 389.883 3.547 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1c(F)cc([O-])cc1F ZINC001207658796 1034515016 /nfs/dbraw/zinc/51/50/16/1034515016.db2.gz WBNBFIRWNCPKGE-UHFFFAOYSA-N 0 3 376.281 3.930 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001207669600 1034519175 /nfs/dbraw/zinc/51/91/75/1034519175.db2.gz HSODIJZTZOWTSU-HAZIXKIPSA-N 0 3 375.469 3.939 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCOc4cc(F)cc(F)c43)CC2)cc1 ZINC001254467523 1040253778 /nfs/dbraw/zinc/25/37/78/1040253778.db2.gz BCWSYJPVRPROHM-SFHVURJKSA-N 0 3 389.402 3.955 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001254553761 1040323163 /nfs/dbraw/zinc/32/31/63/1040323163.db2.gz YRFRYKDEUDVAHV-JCGIZDLHSA-N 0 3 375.469 3.610 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001254557575 1040328613 /nfs/dbraw/zinc/32/86/13/1040328613.db2.gz QIIHAPVEUORSLX-FYINFDKHSA-N 0 3 397.450 3.511 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCN(C(=O)OC(C)(C)C)CCC1 ZINC001254564398 1040337841 /nfs/dbraw/zinc/33/78/41/1040337841.db2.gz LKMCNDFWELDYNP-MRXNPFEDSA-N 0 3 377.485 3.859 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001254571520 1040347776 /nfs/dbraw/zinc/34/77/76/1040347776.db2.gz XCEJLRJPISIVTJ-NVXWUHKLSA-N 0 3 377.485 3.857 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001254571329 1040348411 /nfs/dbraw/zinc/34/84/11/1040348411.db2.gz SNZYXAYKICYWAY-FXAWDEMLSA-N 0 3 382.460 3.981 20 5 GHBDHN Cn1c(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc2cc(C(F)(F)F)ccc21 ZINC001254573843 1040349977 /nfs/dbraw/zinc/34/99/77/1040349977.db2.gz CRZLYSJULUMOSX-CQSZACIVSA-N 0 3 390.365 3.757 20 5 GHBDHN COc1cc(N2CCC(N[C@@H](C)c3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC001256085447 1041515885 /nfs/dbraw/zinc/51/58/85/1041515885.db2.gz PEYGALBKBOZDPL-ZDUSSCGKSA-N 0 3 376.482 3.688 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]C[C@@H](Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC001462661451 1070452395 /nfs/dbraw/zinc/45/23/95/1070452395.db2.gz AYUXESVFNYXDPQ-GOSISDBHSA-N 0 3 393.443 3.820 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]C[C@H](Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC001462661453 1070452486 /nfs/dbraw/zinc/45/24/86/1070452486.db2.gz AYUXESVFNYXDPQ-SFHVURJKSA-N 0 3 393.443 3.820 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001278323569 1042970433 /nfs/dbraw/zinc/97/04/33/1042970433.db2.gz WCLMLYSZBHOORN-DLVCFXQMSA-N 0 3 379.460 3.841 20 5 GHBDHN Cc1c(Br)cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC001292270130 1043656869 /nfs/dbraw/zinc/65/68/69/1043656869.db2.gz NIFSJZFDYWYHPX-GFCCVEGCSA-N 0 3 398.301 3.516 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC001306838535 1048921514 /nfs/dbraw/zinc/92/15/14/1048921514.db2.gz FWUNXMHMNZZSNS-CRAIPNDOSA-N 0 3 385.464 3.855 20 5 GHBDHN CCN(CC)[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001306947912 1048974659 /nfs/dbraw/zinc/97/46/59/1048974659.db2.gz STDYBTIWYDECHI-MRXNPFEDSA-N 0 3 399.407 3.561 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC001307430949 1049267863 /nfs/dbraw/zinc/26/78/63/1049267863.db2.gz QHLACGNBSXLCEJ-LJQANCHMSA-N 0 3 383.448 3.726 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(C)[C@H](C)[C@H]2C)cc1OC ZINC001307629909 1049460623 /nfs/dbraw/zinc/46/06/23/1049460623.db2.gz NGFVZHJEOMZVSF-ARFHVFGLSA-N 0 3 379.501 3.553 20 5 GHBDHN CCCCO[C@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001307759453 1049572697 /nfs/dbraw/zinc/57/26/97/1049572697.db2.gz ZJGUQKDMBXWWND-HOTGVXAUSA-N 0 3 383.876 3.760 20 5 GHBDHN CC(C)(C)OC(=O)N[C@H](CNCc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC001308215118 1049915418 /nfs/dbraw/zinc/91/54/18/1049915418.db2.gz BJXMCHAGLOMGAK-LBPRGKRZSA-N 0 3 377.363 3.530 20 5 GHBDHN CCOc1cc(N2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001308734343 1050075750 /nfs/dbraw/zinc/07/57/50/1050075750.db2.gz LWTPXBPBRRYDHS-AZUAARDMSA-N 0 3 381.476 3.919 20 5 GHBDHN CC[C@@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001312314946 1052690943 /nfs/dbraw/zinc/69/09/43/1052690943.db2.gz RRCJHJDFAZEARR-GOSISDBHSA-N 0 3 376.501 3.809 20 5 GHBDHN COc1ccc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001345370630 1055010260 /nfs/dbraw/zinc/01/02/60/1055010260.db2.gz LUMOXWVSWFJYGM-ZBFHGGJFSA-N 0 3 384.436 3.560 20 5 GHBDHN C[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000848571838 1057187650 /nfs/dbraw/zinc/18/76/50/1057187650.db2.gz UPLWRKHWMRONAJ-JSGCOSHPSA-N 0 3 387.461 3.957 20 5 GHBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H](CN1CCCC1)c1ccccc1 ZINC001440533147 1058531411 /nfs/dbraw/zinc/53/14/11/1058531411.db2.gz CYFMQDOXOIFRLX-IBGZPJMESA-N 0 3 385.439 3.620 20 5 GHBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(NC2=NCCC2)cc1 ZINC001445042366 1059446129 /nfs/dbraw/zinc/44/61/29/1059446129.db2.gz FLCJMEVKKDDBJA-UHFFFAOYSA-N 0 3 380.448 3.952 20 5 GHBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001454553866 1061839849 /nfs/dbraw/zinc/83/98/49/1061839849.db2.gz JXMXJINZDHAXET-SNVBAGLBSA-N 0 3 390.242 3.787 20 5 GHBDHN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N1CCC(C)CC1 ZINC001458098652 1063565648 /nfs/dbraw/zinc/56/56/48/1063565648.db2.gz IKPLIPIUXBYIMM-OAHLLOKOSA-N 0 3 385.306 3.921 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC001353486012 1065971858 /nfs/dbraw/zinc/97/18/58/1065971858.db2.gz GPGLHTXYDHNMPM-SFHVURJKSA-N 0 3 375.428 3.853 20 5 GHBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001467645386 1067398878 /nfs/dbraw/zinc/39/88/78/1067398878.db2.gz WQVYZHVBPGIZKW-VIFPVBQESA-N 0 3 378.231 3.597 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1Cc1ccccc1F ZINC001460359475 1068940620 /nfs/dbraw/zinc/94/06/20/1068940620.db2.gz YQGPVGSWNWACDC-ROUUACIJSA-N 0 3 388.439 3.571 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001460752214 1069156931 /nfs/dbraw/zinc/15/69/31/1069156931.db2.gz ATEZRAKDUVZOOM-DOMZBBRYSA-N 0 3 384.354 3.704 20 5 GHBDHN Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC001471243253 1072980775 /nfs/dbraw/zinc/98/07/75/1072980775.db2.gz PYGSHOVQTAWHNZ-GOSISDBHSA-N 0 3 385.439 3.571 20 5 GHBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001474397607 1074385613 /nfs/dbraw/zinc/38/56/13/1074385613.db2.gz VTPHCIKRNQQVBK-IINYFYTJSA-N 0 3 391.287 3.630 20 5 GHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@](C)(CO)Cc1ccc(F)cc1 ZINC001654939234 1126254665 /nfs/dbraw/zinc/25/46/65/1126254665.db2.gz BHGOWYOWSBOXLU-FQEVSTJZSA-N 0 3 376.428 3.604 20 5 GHBDHN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2CN(C)C)cc1SC ZINC000180863472 837610880 /nfs/dbraw/zinc/61/08/80/837610880.db2.gz SJVZYJBHXQYLDF-UHFFFAOYSA-N 0 3 389.477 3.948 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000065743858 835408483 /nfs/dbraw/zinc/40/84/83/835408483.db2.gz JLJXDQNVZRVCOB-APWZRJJASA-N 0 3 392.459 3.501 20 5 GHBDHN CC[C@@]1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])OCCc2ccccc21 ZINC000584380230 835947996 /nfs/dbraw/zinc/94/79/96/835947996.db2.gz QYGODXMNRKDMDY-NRFANRHFSA-N 0 3 386.448 3.580 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000411181586 836081158 /nfs/dbraw/zinc/08/11/58/836081158.db2.gz UMYLINBKHJOMJZ-GOSISDBHSA-N 0 3 387.411 3.908 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC000134875897 836158027 /nfs/dbraw/zinc/15/80/27/836158027.db2.gz JKUKQUDSRCPXHX-HOCLYGCPSA-N 0 3 385.489 3.710 20 5 GHBDHN Cc1sc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000065936780 836275196 /nfs/dbraw/zinc/27/51/96/836275196.db2.gz WHBQBUPZMDISFC-UHFFFAOYSA-N 0 3 381.885 3.822 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)c(C)c2)CC1 ZINC000043467027 836862994 /nfs/dbraw/zinc/86/29/94/836862994.db2.gz JTHAYPCOBWITLT-UHFFFAOYSA-N 0 3 383.452 3.689 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247163068 837011766 /nfs/dbraw/zinc/01/17/66/837011766.db2.gz AMLCLAYEKDGOMH-DIFFPNOSSA-N 0 3 395.431 3.747 20 5 GHBDHN Cc1sc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000247213046 837311438 /nfs/dbraw/zinc/31/14/38/837311438.db2.gz CHJGGBPBEBPIMC-MLGOLLRUSA-N 0 3 379.507 3.839 20 5 GHBDHN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H]1CN1CCCC1 ZINC000275607402 837939029 /nfs/dbraw/zinc/93/90/29/837939029.db2.gz QPNUJEQYYWCSBF-QGZVFWFLSA-N 0 3 375.472 3.794 20 5 GHBDHN CC(C)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCc2ccccc2C1 ZINC000535675636 844296870 /nfs/dbraw/zinc/29/68/70/844296870.db2.gz MHOXOLHHKWNEDT-UHFFFAOYSA-N 0 3 392.459 3.643 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189624123 838327023 /nfs/dbraw/zinc/32/70/23/838327023.db2.gz ZMFUVQGGKVBZKI-NHYWBVRUSA-N 0 3 398.328 3.769 20 5 GHBDHN O=C1CCCN1[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000414557432 838624292 /nfs/dbraw/zinc/62/42/92/838624292.db2.gz XCBCDIFGYJSJPV-MRXNPFEDSA-N 0 3 383.448 3.832 20 5 GHBDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610458536 840108902 /nfs/dbraw/zinc/10/89/02/840108902.db2.gz NNXNDZKQOCQVTB-ROUUACIJSA-N 0 3 396.491 3.962 20 5 GHBDHN CSC[C@@H](CCO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000124208098 840820978 /nfs/dbraw/zinc/82/09/78/840820978.db2.gz PNLLPUQEXLPDFC-OAHLLOKOSA-N 0 3 380.441 3.730 20 5 GHBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000302167900 861225988 /nfs/dbraw/zinc/22/59/88/861225988.db2.gz SIXALJSYTPEMMX-BBRMVZONSA-N 0 3 395.385 3.899 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582285 843093546 /nfs/dbraw/zinc/09/35/46/843093546.db2.gz BBBHRIAIKVSRIB-INIZCTEOSA-N 0 3 380.448 3.832 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000302879312 861395646 /nfs/dbraw/zinc/39/56/46/861395646.db2.gz OAGVIAKNXSSZLQ-FQEVSTJZSA-N 0 3 385.464 3.725 20 5 GHBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000278886594 843533269 /nfs/dbraw/zinc/53/32/69/843533269.db2.gz PUDAWLQYGFNSHR-QGZVFWFLSA-N 0 3 389.499 3.713 20 5 GHBDHN COC[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000433195535 843810724 /nfs/dbraw/zinc/81/07/24/843810724.db2.gz WFJOQZQRZOPAIP-NQIIRXRSSA-N 0 3 385.464 3.646 20 5 GHBDHN Cc1c([C@@H](C)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000119495043 845400645 /nfs/dbraw/zinc/40/06/45/845400645.db2.gz QELOYQHCNRRQGI-MJGOQNOKSA-N 0 3 381.476 3.788 20 5 GHBDHN CC1(C)C[C@H](NC[C@H](O)COc2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433169351 845582703 /nfs/dbraw/zinc/58/27/03/845582703.db2.gz QSBYUFNRYMCLCY-DJJJIMSYSA-N 0 3 392.402 3.625 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cc1 ZINC000513596794 845711963 /nfs/dbraw/zinc/71/19/63/845711963.db2.gz DLILIMRWYLBMJX-UHFFFAOYSA-N 0 3 390.346 3.975 20 5 GHBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1Cl ZINC000539068662 845817450 /nfs/dbraw/zinc/81/74/50/845817450.db2.gz GATRZTOUSSSZAW-CYBMUJFWSA-N 0 3 387.827 3.559 20 5 GHBDHN CC[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCc2ccccc2C1 ZINC000536508881 846050617 /nfs/dbraw/zinc/05/06/17/846050617.db2.gz WJJFVARMLLUKHA-QGZVFWFLSA-N 0 3 392.459 3.643 20 5 GHBDHN CC[C@@H]1C[C@@H](NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000421367778 846179399 /nfs/dbraw/zinc/17/93/99/846179399.db2.gz AAIUPJLSKBWUTN-QWHCGFSZSA-N 0 3 392.374 3.592 20 5 GHBDHN CN1C[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1=O ZINC000119921891 846486894 /nfs/dbraw/zinc/48/68/94/846486894.db2.gz HHIKGSIQOBPRDT-CQSZACIVSA-N 0 3 389.839 3.751 20 5 GHBDHN O=C(CCN1CCC[C@@H]1CC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000501061291 846592484 /nfs/dbraw/zinc/59/24/84/846592484.db2.gz VWPVPVBUTHDTCQ-CQSZACIVSA-N 0 3 387.461 3.722 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000511091520 846629663 /nfs/dbraw/zinc/62/96/63/846629663.db2.gz LYJPZLNCZYEFOZ-DENIHFKCSA-N 0 3 384.476 3.524 20 5 GHBDHN COc1cc(CNC(C)(C)COc2ncccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000502334521 847763858 /nfs/dbraw/zinc/76/38/58/847763858.db2.gz UCOUOOPIHBVLFX-UHFFFAOYSA-N 0 3 399.369 3.964 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000604127372 861862184 /nfs/dbraw/zinc/86/21/84/861862184.db2.gz VESZZPIQLCWDFI-QFBILLFUSA-N 0 3 382.464 3.620 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000132090925 861902432 /nfs/dbraw/zinc/90/24/32/861902432.db2.gz XZORRPZPJHPSNZ-SJKOYZFVSA-N 0 3 377.441 3.608 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000572946976 849578953 /nfs/dbraw/zinc/57/89/53/849578953.db2.gz LLAATOVEXGISAU-UHFFFAOYSA-N 0 3 387.402 3.952 20 5 GHBDHN COc1cc(CNCC2(SC)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000434992101 849978831 /nfs/dbraw/zinc/97/88/31/849978831.db2.gz QNWRCTDOWZWBLP-UHFFFAOYSA-N 0 3 376.425 3.623 20 5 GHBDHN CCOc1ccc([C@@H](C)NCCNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000504894583 850423007 /nfs/dbraw/zinc/42/30/07/850423007.db2.gz MSTGYIOMXCOPNQ-CYBMUJFWSA-N 0 3 391.855 3.728 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)Nc1ccc(F)cc1 ZINC000504895645 850423969 /nfs/dbraw/zinc/42/39/69/850423969.db2.gz VTRYBMRTMYGMHJ-CQSZACIVSA-N 0 3 377.441 3.833 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000487586406 850720592 /nfs/dbraw/zinc/72/05/92/850720592.db2.gz ARWCTOAHCDTURZ-UHFFFAOYSA-N 0 3 380.448 3.589 20 5 GHBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1COc2ccccc21 ZINC000163046010 862257828 /nfs/dbraw/zinc/25/78/28/862257828.db2.gz IGZHANOTMJSWPP-TYNCELHUSA-N 0 3 389.839 3.730 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000488733834 851728418 /nfs/dbraw/zinc/72/84/18/851728418.db2.gz PPYPUSRAAMWYPF-UHFFFAOYSA-N 0 3 384.358 3.526 20 5 GHBDHN COc1cccc([C@H](O)CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1 ZINC000111393729 852128322 /nfs/dbraw/zinc/12/83/22/852128322.db2.gz ODEHKTCCGJLAAZ-HXUWFJFHSA-N 0 3 398.415 3.695 20 5 GHBDHN CCOc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000029178260 852584753 /nfs/dbraw/zinc/58/47/53/852584753.db2.gz QFKXTQXDXXBGIY-GOSISDBHSA-N 0 3 383.448 3.560 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000489950780 852667193 /nfs/dbraw/zinc/66/71/93/852667193.db2.gz GGQJRMBBUHWZIL-IBGZPJMESA-N 0 3 385.464 3.723 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000490225441 852836067 /nfs/dbraw/zinc/83/60/67/852836067.db2.gz SHKULKNTHUAOKM-HXUWFJFHSA-N 0 3 397.475 3.806 20 5 GHBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000438942440 853133831 /nfs/dbraw/zinc/13/38/31/853133831.db2.gz KCSUXBXRLDNAOR-UHFFFAOYSA-N 0 3 379.844 3.662 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000491051815 853426812 /nfs/dbraw/zinc/42/68/12/853426812.db2.gz PGESFOXCJOEXQR-ZBFHGGJFSA-N 0 3 388.468 3.852 20 5 GHBDHN Cc1c(C(=O)N(c2ccccc2)C2CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000732733104 862473970 /nfs/dbraw/zinc/47/39/70/862473970.db2.gz YPXAZGRLNVJXTN-UHFFFAOYSA-N 0 3 398.419 3.552 20 5 GHBDHN C[C@H](C(=O)N(CCN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000543525527 862473985 /nfs/dbraw/zinc/47/39/85/862473985.db2.gz IARVUFMPCIURGD-INIZCTEOSA-N 0 3 385.439 3.966 20 5 GHBDHN C[C@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000570933366 853650452 /nfs/dbraw/zinc/65/04/52/853650452.db2.gz UGMXBDKWWXHFCD-HRAATJIYSA-N 0 3 382.464 3.620 20 5 GHBDHN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000438496063 854043940 /nfs/dbraw/zinc/04/39/40/854043940.db2.gz WYSMNFLLIHVGOG-SFHVURJKSA-N 0 3 394.431 3.865 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000588176462 854201623 /nfs/dbraw/zinc/20/16/23/854201623.db2.gz FHXMIGZPZCDMRG-IBGZPJMESA-N 0 3 389.427 3.554 20 5 GHBDHN C[C@H]1CN(CCC2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C[C@H](C)O1 ZINC000301517238 855189806 /nfs/dbraw/zinc/18/98/06/855189806.db2.gz CDDMDDCDACUDML-IRXDYDNUSA-N 0 3 398.507 3.859 20 5 GHBDHN Cc1ccc(Sc2ccc(C(=O)N3CC[C@@H]4CN(C)C[C@H]43)cc2[N+](=O)[O-])cc1 ZINC000590447076 855424388 /nfs/dbraw/zinc/42/43/88/855424388.db2.gz YBEBAUBSCWAZDW-VQIMIIECSA-N 0 3 397.500 3.831 20 5 GHBDHN CN(C)Cc1cccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000427606529 855804871 /nfs/dbraw/zinc/80/48/71/855804871.db2.gz LIOROQXDCCSZIV-UHFFFAOYSA-N 0 3 381.354 3.605 20 5 GHBDHN Cc1ccc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CCC2)cc1 ZINC000427879698 856814397 /nfs/dbraw/zinc/81/43/97/856814397.db2.gz SXXJFHRMWOEYQP-FQEVSTJZSA-N 0 3 388.489 3.808 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173351903 856877295 /nfs/dbraw/zinc/87/72/95/856877295.db2.gz LCZJGHZUIYPSAN-SMDDNHRTSA-N 0 3 385.247 3.992 20 5 GHBDHN Cc1ccc(C[C@H]2CCCN2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000733301324 862847458 /nfs/dbraw/zinc/84/74/58/862847458.db2.gz QOFUKDWAPMEXFY-HXUWFJFHSA-N 0 3 377.448 3.826 20 5 GHBDHN CN1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[C@H]1c1ccccc1 ZINC000245788305 857173026 /nfs/dbraw/zinc/17/30/26/857173026.db2.gz NGLKEKRGPDMGHJ-NHCUHLMSSA-N 0 3 394.475 3.714 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000593112660 857329812 /nfs/dbraw/zinc/32/98/12/857329812.db2.gz SGJLUASUWDWFRH-INIZCTEOSA-N 0 3 396.365 3.632 20 5 GHBDHN O=[N+]([O-])c1cc2c(ncnc2Nc2cccc(CN3CCSCC3)c2)s1 ZINC000553039267 857603238 /nfs/dbraw/zinc/60/32/38/857603238.db2.gz KORLGGYYVDRSFQ-UHFFFAOYSA-N 0 3 387.490 3.892 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000595050992 858380140 /nfs/dbraw/zinc/38/01/40/858380140.db2.gz WINCQXUOHHZZOK-PXNSSMCTSA-N 0 3 399.491 3.545 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000439128890 858450505 /nfs/dbraw/zinc/45/05/05/858450505.db2.gz IBZJSDNDAOZZMG-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CCC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000543183937 858765014 /nfs/dbraw/zinc/76/50/14/858765014.db2.gz SKXMYKHFIKULTI-PBHICJAKSA-N 0 3 380.391 3.744 20 5 GHBDHN CCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249294384 859293314 /nfs/dbraw/zinc/29/33/14/859293314.db2.gz LSDUCRPULBNRAT-DYESRHJHSA-N 0 3 396.491 3.962 20 5 GHBDHN CS(=O)(=O)CCCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237300495 859426632 /nfs/dbraw/zinc/42/66/32/859426632.db2.gz YJCYMMQMFANAHU-UHFFFAOYSA-N 0 3 398.868 3.565 20 5 GHBDHN CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001127775669 859486095 /nfs/dbraw/zinc/48/60/95/859486095.db2.gz GIZVVHUGCWIPLL-BHDDXSALSA-N 0 3 393.487 3.821 20 5 GHBDHN COc1ccc(C[C@H](C)CN(C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000552079076 859723565 /nfs/dbraw/zinc/72/35/65/859723565.db2.gz PAJMNZLEVULRRL-HNNXBMFYSA-N 0 3 388.464 3.931 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000129660983 859797320 /nfs/dbraw/zinc/79/73/20/859797320.db2.gz LBQUKJOGLWTXAE-SJKOYZFVSA-N 0 3 377.441 3.608 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000466518026 859818532 /nfs/dbraw/zinc/81/85/32/859818532.db2.gz XZBNPJYVXQIMSV-ZWOKBUDYSA-N 0 3 396.491 3.926 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H](c2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC000474347156 859892842 /nfs/dbraw/zinc/89/28/42/859892842.db2.gz DLLLMNXPKHXYOM-OAQYLSRUSA-N 0 3 384.432 3.696 20 5 GHBDHN C[C@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000895833981 859996255 /nfs/dbraw/zinc/99/62/55/859996255.db2.gz QYIUHUVWUAILHO-GFCCVEGCSA-N 0 3 382.869 3.545 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123637998 860021671 /nfs/dbraw/zinc/02/16/71/860021671.db2.gz JVJLNXLBJRCTNK-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCN(c4ccc(F)c(F)c4)C3)nc2c1 ZINC000602526553 860098743 /nfs/dbraw/zinc/09/87/43/860098743.db2.gz XKZSDKXMYJNSTG-GFCCVEGCSA-N 0 3 388.374 3.630 20 5 GHBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1 ZINC000019625520 860292099 /nfs/dbraw/zinc/29/20/99/860292099.db2.gz WDCSKYORDWEMRP-GUYCJALGSA-N 0 3 387.436 3.680 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(-c4ccccn4)c3)C2)nc1 ZINC000093534567 860297328 /nfs/dbraw/zinc/29/73/28/860297328.db2.gz SDZOTBZMOCWWGW-SFHVURJKSA-N 0 3 375.432 3.738 20 5 GHBDHN Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000494352662 881581434 /nfs/dbraw/zinc/58/14/34/881581434.db2.gz RRFCCXPOAPEDCG-LSDHHAIUSA-N 0 3 380.452 3.755 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000557039191 881610236 /nfs/dbraw/zinc/61/02/36/881610236.db2.gz YINXKOOYKZRZFS-VQIMIIECSA-N 0 3 381.476 3.652 20 5 GHBDHN C[C@@H](C[S@](C)=O)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000184264961 864298019 /nfs/dbraw/zinc/29/80/19/864298019.db2.gz CQEBGHFKNAFBBS-VDBVYFBLSA-N 0 3 382.869 3.897 20 5 GHBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1ncnn1-c1ccccc1 ZINC000475264464 864659134 /nfs/dbraw/zinc/65/91/34/864659134.db2.gz FWEXOEQLYUTQQT-QFBILLFUSA-N 0 3 377.448 3.677 20 5 GHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000735210087 864670330 /nfs/dbraw/zinc/67/03/30/864670330.db2.gz IOKNXIMXGOXOQM-HXUWFJFHSA-N 0 3 383.448 3.605 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)c2ccccc2Cl)c1 ZINC000554720106 864794498 /nfs/dbraw/zinc/79/44/98/864794498.db2.gz HHWGNHPKJNRIMT-LBPRGKRZSA-N 0 3 386.782 3.715 20 5 GHBDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183157290 866284326 /nfs/dbraw/zinc/28/43/26/866284326.db2.gz NNIKZXFBLPMVET-GJZGRUSLSA-N 0 3 393.447 3.767 20 5 GHBDHN Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000121397214 866290199 /nfs/dbraw/zinc/29/01/99/866290199.db2.gz YDSDGTBUIYUBLJ-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[C@H]1c1cccs1 ZINC000741606860 866654269 /nfs/dbraw/zinc/65/42/69/866654269.db2.gz RSPXLQKUNDFNRG-SJCJKPOMSA-N 0 3 377.441 3.608 20 5 GHBDHN Cc1cccc(C2(O)CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000741803596 866825628 /nfs/dbraw/zinc/82/56/28/866825628.db2.gz ASQIOBSAYIFRIX-UHFFFAOYSA-N 0 3 384.476 3.964 20 5 GHBDHN COc1cc(CN[C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])cc1OC(F)F ZINC000128234006 867029347 /nfs/dbraw/zinc/02/93/47/867029347.db2.gz PFEFCOFERPWDQO-ZIAGYGMSSA-N 0 3 396.394 3.675 20 5 GHBDHN C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000742962630 867701115 /nfs/dbraw/zinc/70/11/15/867701115.db2.gz NQAFTQNYXMQIHF-PEKVBPLLSA-N 0 3 379.460 3.731 20 5 GHBDHN Cc1c(Br)c(N(C)CCCN(C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000553708227 867972696 /nfs/dbraw/zinc/97/26/96/867972696.db2.gz OJAJAHQCXGNXGS-UHFFFAOYSA-N 0 3 397.273 3.612 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000553946551 868514516 /nfs/dbraw/zinc/51/45/16/868514516.db2.gz NGGHQKYXMUEJSL-SFHVURJKSA-N 0 3 391.855 3.599 20 5 GHBDHN CN1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000535361688 868624606 /nfs/dbraw/zinc/62/46/06/868624606.db2.gz FYEYJQAECNGCIH-RTWAWAEBSA-N 0 3 396.491 3.662 20 5 GHBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793607952 882318413 /nfs/dbraw/zinc/31/84/13/882318413.db2.gz GASLCOHLOIMKPJ-XJKSGUPXSA-N 0 3 376.840 3.758 20 5 GHBDHN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000441071908 870162506 /nfs/dbraw/zinc/16/25/06/870162506.db2.gz VWQJSXISSAIIQY-HTAPYJJXSA-N 0 3 376.460 3.870 20 5 GHBDHN COc1cc(CN2CC[C@@H](O)C2(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000462865820 870244796 /nfs/dbraw/zinc/24/47/96/870244796.db2.gz FQTNZEXQBHWXCC-HXUWFJFHSA-N 0 3 386.448 3.528 20 5 GHBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000101531508 872068515 /nfs/dbraw/zinc/06/85/15/872068515.db2.gz YMNYRBRPFYEVBH-UHFFFAOYSA-N 0 3 385.439 3.515 20 5 GHBDHN O=C(NC1CC(N2CCCCC2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000477954161 872197425 /nfs/dbraw/zinc/19/74/25/872197425.db2.gz HQNDDMRLVTXPAT-UHFFFAOYSA-N 0 3 393.462 3.567 20 5 GHBDHN C[C@H](C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000182536071 872521650 /nfs/dbraw/zinc/52/16/50/872521650.db2.gz OQGNZEULKSKZJI-MGPUTAFESA-N 0 3 385.439 3.791 20 5 GHBDHN COc1cccc2c1OC[C@@H](NCc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000609122329 872897465 /nfs/dbraw/zinc/89/74/65/872897465.db2.gz HCDRDMYCPFCTKB-INIZCTEOSA-N 0 3 380.400 3.957 20 5 GHBDHN Cc1ccc(C[C@@H](CO)CNCc2csc([N+](=O)[O-])c2)cc1Br ZINC000449596458 875100162 /nfs/dbraw/zinc/10/01/62/875100162.db2.gz BDHDNTUYAZHQGI-CYBMUJFWSA-N 0 3 399.310 3.668 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccccc2)C2CCCC2)cc1 ZINC000542208916 875183214 /nfs/dbraw/zinc/18/32/14/875183214.db2.gz HFAGVBSIDYGKBR-HXUWFJFHSA-N 0 3 388.489 3.890 20 5 GHBDHN CC[C@H](NCc1ccc(OCCN2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001201770230 875850793 /nfs/dbraw/zinc/85/07/93/875850793.db2.gz QCRVTYAPXWQRBF-QFIPXVFZSA-N 0 3 399.491 3.547 20 5 GHBDHN COc1ccc2c(c1)OC[C@H](NCc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC001201856853 875889654 /nfs/dbraw/zinc/88/96/54/875889654.db2.gz BNYRXIXXSKDSOI-MRXNPFEDSA-N 0 3 380.400 3.957 20 5 GHBDHN COc1ccc(CN2CCCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000450228719 876124373 /nfs/dbraw/zinc/12/43/73/876124373.db2.gz BXMQUTZTCITJPJ-UHFFFAOYSA-N 0 3 392.459 3.864 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000850433371 876916629 /nfs/dbraw/zinc/91/66/29/876916629.db2.gz LOTJQTGOOUGMJV-HUUCEWRRSA-N 0 3 393.484 3.901 20 5 GHBDHN COC(C)(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000787214978 877227240 /nfs/dbraw/zinc/22/72/40/877227240.db2.gz CDOLGHFZTTXVJW-UHFFFAOYSA-N 0 3 375.391 3.551 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000537707118 878105663 /nfs/dbraw/zinc/10/56/63/878105663.db2.gz XQAHRXGFRFKLBX-IBGZPJMESA-N 0 3 381.476 3.867 20 5 GHBDHN COc1ccc(OC)c([C@H](O)CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000788574894 878178582 /nfs/dbraw/zinc/17/85/82/878178582.db2.gz CUEPPOJIQNONLC-RBUKOAKNSA-N 0 3 386.448 3.658 20 5 GHBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000776579175 878190659 /nfs/dbraw/zinc/19/06/59/878190659.db2.gz LEOGPEOXRASQJZ-OKZBNKHCSA-N 0 3 397.258 3.525 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000776581677 878200160 /nfs/dbraw/zinc/20/01/60/878200160.db2.gz HCDTZHAYDUQQDN-GOSISDBHSA-N 0 3 399.274 3.820 20 5 GHBDHN CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000453247677 880677151 /nfs/dbraw/zinc/67/71/51/880677151.db2.gz OGLXLPSGUZOTQH-KBPBESRZSA-N 0 3 377.466 3.768 20 5 GHBDHN O=C(c1cccc([N+](=O)[O-])c1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000609490934 883255098 /nfs/dbraw/zinc/25/50/98/883255098.db2.gz SAYRKUNBMCNPIG-UHFFFAOYSA-N 0 3 387.867 3.986 20 5 GHBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813755 883375578 /nfs/dbraw/zinc/37/55/78/883375578.db2.gz UALSPBRCCBHQQT-CMPLNLGQSA-N 0 3 388.346 3.585 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000858862177 883412905 /nfs/dbraw/zinc/41/29/05/883412905.db2.gz XXIGHITYJQLFLM-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CO1 ZINC000565596413 883670855 /nfs/dbraw/zinc/67/08/55/883670855.db2.gz JFGGDNDDENHCST-MNOVXSKESA-N 0 3 381.226 3.884 20 5 GHBDHN CC[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000914703924 884556816 /nfs/dbraw/zinc/55/68/16/884556816.db2.gz KJMDIGXYCXKCGK-SFHVURJKSA-N 0 3 384.505 3.718 20 5 GHBDHN CC[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000914735133 884650309 /nfs/dbraw/zinc/65/03/09/884650309.db2.gz MLUCBPAMNANVAV-DBBZSVRUSA-N 0 3 379.460 3.561 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000237879994 884704962 /nfs/dbraw/zinc/70/49/62/884704962.db2.gz DPFRWSXJZWLEHD-QGZVFWFLSA-N 0 3 379.382 3.978 20 5 GHBDHN C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000806949506 885141617 /nfs/dbraw/zinc/14/16/17/885141617.db2.gz GEGCEKYMKACPTN-FZKQIMNGSA-N 0 3 390.871 3.739 20 5 GHBDHN CCCn1ccnc1CCCN(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000762077003 885346776 /nfs/dbraw/zinc/34/67/76/885346776.db2.gz YOSSUEQHCQLNFK-UHFFFAOYSA-N 0 3 382.468 3.587 20 5 GHBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916384036 888950452 /nfs/dbraw/zinc/95/04/52/888950452.db2.gz JUKKKKBIZBRGQM-UHFFFAOYSA-N 0 3 381.432 3.588 20 5 GHBDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000130229822 889492454 /nfs/dbraw/zinc/49/24/54/889492454.db2.gz WPRGGMJWSFECHK-PMACEKPBSA-N 0 3 386.448 3.607 20 5 GHBDHN CCOC(=O)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811472372 889657550 /nfs/dbraw/zinc/65/75/50/889657550.db2.gz CLWSEZXDULYJDW-UHFFFAOYSA-N 0 3 376.240 3.612 20 5 GHBDHN C[C@@H](NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071239 891138228 /nfs/dbraw/zinc/13/82/28/891138228.db2.gz LSRZHTKXNUGEOI-LLVKDONJSA-N 0 3 394.834 3.671 20 5 GHBDHN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102676 891273763 /nfs/dbraw/zinc/27/37/63/891273763.db2.gz IQOKEEZJVZENIW-SECBINFHSA-N 0 3 386.235 3.547 20 5 GHBDHN CC(COC(=O)c1ccccc1OCc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109802 891302279 /nfs/dbraw/zinc/30/22/79/891302279.db2.gz PAVYOESHPOCLHI-LBPRGKRZSA-N 0 3 394.221 3.850 20 5 GHBDHN Cc1nnc(SCc2c3ccccc3oc2C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813110654 891303655 /nfs/dbraw/zinc/30/36/55/891303655.db2.gz GTPQMIMWWUFMBA-SECBINFHSA-N 0 3 393.446 3.707 20 5 GHBDHN CC(C)c1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000813110205 891304012 /nfs/dbraw/zinc/30/40/12/891304012.db2.gz UROREMPICFVFBR-SECBINFHSA-N 0 3 387.223 3.520 20 5 GHBDHN CC(COC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)[N+](=O)[O-] ZINC000813110109 891305473 /nfs/dbraw/zinc/30/54/73/891305473.db2.gz ZJSPKSCHJIBGAW-WDEREUQCSA-N 0 3 384.841 3.825 20 5 GHBDHN CC(COC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC000813112055 891305569 /nfs/dbraw/zinc/30/55/69/891305569.db2.gz MURVIFKIQXUBCS-LLVKDONJSA-N 0 3 375.768 3.608 20 5 GHBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000813113767 891306119 /nfs/dbraw/zinc/30/61/19/891306119.db2.gz UZPBFQBBFSDNRS-LBPRGKRZSA-N 0 3 379.796 3.750 20 5 GHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H](CN1CCCC1)c1ccccc1 ZINC000497722350 892270817 /nfs/dbraw/zinc/27/08/17/892270817.db2.gz MFUSWUURRIWCBT-HXUWFJFHSA-N 0 3 392.459 3.503 20 5 GHBDHN CCc1ccc([C@H]2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000814224702 892417174 /nfs/dbraw/zinc/41/71/74/892417174.db2.gz LWGZVTSGCYUXTB-IBGZPJMESA-N 0 3 377.448 3.863 20 5 GHBDHN CCN1CC[C@H]2OCCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000814905656 893266359 /nfs/dbraw/zinc/26/63/59/893266359.db2.gz MPFSYDZSJRHATI-LSDHHAIUSA-N 0 3 393.793 3.566 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000876659175 893277599 /nfs/dbraw/zinc/27/75/99/893277599.db2.gz PNOBYRXMHJPKSW-UHFFFAOYSA-N 0 3 383.448 3.768 20 5 GHBDHN O=[N+]([O-])c1cnn(C2CC(NCc3ccc(Br)cc3Cl)C2)c1 ZINC000876990992 893423255 /nfs/dbraw/zinc/42/32/55/893423255.db2.gz HBTWNRMNTZEYKR-UHFFFAOYSA-N 0 3 385.649 3.701 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cc(C)ccc1OC ZINC000459671518 894041424 /nfs/dbraw/zinc/04/14/24/894041424.db2.gz WJHDALLBXHZJGG-CQSZACIVSA-N 0 3 387.436 3.600 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCC[C@H]2C2CCOCC2)o1 ZINC000878381136 894245684 /nfs/dbraw/zinc/24/56/84/894245684.db2.gz QQZWIOGCACIUSY-HNNXBMFYSA-N 0 3 392.843 3.689 20 5 GHBDHN C[C@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000564714820 895205531 /nfs/dbraw/zinc/20/55/31/895205531.db2.gz NWZRRBDXFDSISF-INIZCTEOSA-N 0 3 381.476 3.651 20 5 GHBDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817424739 895614384 /nfs/dbraw/zinc/61/43/84/895614384.db2.gz SKRABNAWLJXCEE-UYAOXDASSA-N 0 3 379.460 3.968 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H](C4CCOCC4)C3)o2)cc1 ZINC000880575201 895754823 /nfs/dbraw/zinc/75/48/23/895754823.db2.gz VHAFBSARRZERSU-QGZVFWFLSA-N 0 3 386.452 3.674 20 5 GHBDHN O=C(NCCN1CCCCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001136224322 896689693 /nfs/dbraw/zinc/68/96/93/896689693.db2.gz QHXBTKGRCOINHD-UHFFFAOYSA-N 0 3 385.489 3.962 20 5 GHBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000567603143 897286146 /nfs/dbraw/zinc/28/61/46/897286146.db2.gz NFTONVANUXXWFG-IXDOHACOSA-N 0 3 391.515 3.778 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000131988956 897625724 /nfs/dbraw/zinc/62/57/24/897625724.db2.gz NIKFJXOBTKOVHS-HNNXBMFYSA-N 0 3 387.867 3.985 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)o2)c1 ZINC000289624922 914268590 /nfs/dbraw/zinc/26/85/90/914268590.db2.gz RPCYXOVKLWUCSJ-PXNSSMCTSA-N 0 3 383.448 3.826 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000571465632 899878131 /nfs/dbraw/zinc/87/81/31/899878131.db2.gz XDQQLYCLACCQPU-UTKZUKDTSA-N 0 3 381.476 3.960 20 5 GHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c(F)c1 ZINC001171098496 900436862 /nfs/dbraw/zinc/43/68/62/900436862.db2.gz JPBOFUBDXXLFRA-FUHWJXTLSA-N 0 3 397.372 3.854 20 5 GHBDHN COc1ccc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1F ZINC000845874604 902476845 /nfs/dbraw/zinc/47/68/45/902476845.db2.gz IUZQIGOQZUAWIL-CWTRNNRKSA-N 0 3 379.359 3.856 20 5 GHBDHN CC(C)NC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845880613 902484007 /nfs/dbraw/zinc/48/40/07/902484007.db2.gz XBUIDCJOAWDVDJ-ACJLOTCBSA-N 0 3 388.395 3.527 20 5 GHBDHN CC([C@@H](OC(=O)[C@H](C)OCc1ccc(F)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845882056 902486488 /nfs/dbraw/zinc/48/64/88/902486488.db2.gz NRWJJWWIJRRCLP-ZJNRKIDTSA-N 0 3 379.359 3.820 20 5 GHBDHN CCc1csc(CC2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000847036054 903389391 /nfs/dbraw/zinc/38/93/91/903389391.db2.gz TYBSBBMZBZDMOQ-SFHVURJKSA-N 0 3 375.494 3.602 20 5 GHBDHN Cn1cc(CN2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])n1 ZINC001171841345 905091645 /nfs/dbraw/zinc/09/16/45/905091645.db2.gz NKVUJNWIEDKMQE-KRWDZBQOSA-N 0 3 398.385 3.824 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC3(CCN3Cc3ccccc3)C1)CC2 ZINC001172912492 905927687 /nfs/dbraw/zinc/92/76/87/905927687.db2.gz AZCCBSOCESCCEM-OAQYLSRUSA-N 0 3 377.488 3.803 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCc1nc(Br)cs1)CC2 ZINC001172905705 905928851 /nfs/dbraw/zinc/92/88/51/905928851.db2.gz JRSSOMNVZRXOIL-GFCCVEGCSA-N 0 3 382.283 3.851 20 5 GHBDHN CCCCCCOC(=O)CCC(=O)CN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216506 906294682 /nfs/dbraw/zinc/29/46/82/906294682.db2.gz CCFOOOSXISHURI-MRXNPFEDSA-N 0 3 378.469 3.588 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001173222413 906301084 /nfs/dbraw/zinc/30/10/84/906301084.db2.gz RMPXHFHFTZELTJ-PCVOSPCESA-N 0 3 375.469 3.515 20 5 GHBDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180649754 906810081 /nfs/dbraw/zinc/81/00/81/906810081.db2.gz MHYGTIWNVGKMQS-OXQOHEQNSA-N 0 3 396.447 3.534 20 5 GHBDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000182546931 907226878 /nfs/dbraw/zinc/22/68/78/907226878.db2.gz VRBCYDCBWRVHJR-CQSZACIVSA-N 0 3 384.436 3.541 20 5 GHBDHN Cc1cc(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)c(N)c([N+](=O)[O-])c1 ZINC001175255793 907471046 /nfs/dbraw/zinc/47/10/46/907471046.db2.gz PSXGNNHKTMWYMC-GOSISDBHSA-N 0 3 396.491 3.612 20 5 GHBDHN CCc1ccc2c(c1)CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC001177033497 908374781 /nfs/dbraw/zinc/37/47/81/908374781.db2.gz GNHHEFCIHNKRPF-UHFFFAOYSA-N 0 3 383.448 3.553 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)cc1N1CCCN(Cc2ccccc2)CCOCC1 ZINC001187739617 915492308 /nfs/dbraw/zinc/49/23/08/915492308.db2.gz BUBXUMXHHYTNLF-UHFFFAOYSA-N 0 3 389.883 3.977 20 5 GHBDHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000775428238 917705811 /nfs/dbraw/zinc/70/58/11/917705811.db2.gz CGOJONUZARTJJA-CYBMUJFWSA-N 0 3 399.838 3.723 20 5 GHBDHN CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000116590722 919511515 /nfs/dbraw/zinc/51/15/15/919511515.db2.gz ACBFCIXMCZYBSK-LJQANCHMSA-N 0 3 396.491 3.694 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCCc4c3cnn4CCO)s2)cc1 ZINC000365074122 920358758 /nfs/dbraw/zinc/35/87/58/920358758.db2.gz UOUWCEBUYAMMAA-SFHVURJKSA-N 0 3 398.488 3.679 20 5 GHBDHN O=C(CN[C@@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371543436 924651765 /nfs/dbraw/zinc/65/17/65/924651765.db2.gz BMWAJYJOIHUBPS-KUHUBIRLSA-N 0 3 389.839 3.554 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccccc2OCc2ccccc2)c1 ZINC000749679163 927232314 /nfs/dbraw/zinc/23/23/14/927232314.db2.gz VMGRFINFWZOIBU-NRFANRHFSA-N 0 3 378.428 3.997 20 5 GHBDHN CC(C)Oc1cc(C(=O)Nc2ccc(CN(C)C)cc2F)ccc1[N+](=O)[O-] ZINC000412591685 927610295 /nfs/dbraw/zinc/61/02/95/927610295.db2.gz ZIWBUUQGKHDARL-UHFFFAOYSA-N 0 3 375.400 3.835 20 5 GHBDHN CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108185 929648483 /nfs/dbraw/zinc/64/84/83/929648483.db2.gz DSEGFMLHNKFQGN-HOTGVXAUSA-N 0 3 393.484 3.599 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000546614305 930296656 /nfs/dbraw/zinc/29/66/56/930296656.db2.gz NTMQMJMBBUUPAJ-KRWDZBQOSA-N 0 3 385.464 3.872 20 5 GHBDHN CC(C)(C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000547285884 930881764 /nfs/dbraw/zinc/88/17/64/930881764.db2.gz BDOCQEGULYKMTK-HXUWFJFHSA-N 0 3 399.466 3.965 20 5 GHBDHN Cc1ccc([C@H]2C[C@H](C)N(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)cc1 ZINC000782957603 931375441 /nfs/dbraw/zinc/37/54/41/931375441.db2.gz XQKOQXPETSLVAW-LPHOPBHVSA-N 0 3 377.448 3.997 20 5 GHBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccco1 ZINC000557912681 931750779 /nfs/dbraw/zinc/75/07/79/931750779.db2.gz XCMHKYLEDNZLSV-IUODEOHRSA-N 0 3 377.466 3.769 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000784512945 931920381 /nfs/dbraw/zinc/92/03/81/931920381.db2.gz WWDLSQAPYJLWCO-HYVNUMGLSA-N 0 3 375.469 3.720 20 5 GHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cnccc1NC(=O)OC(C)(C)C ZINC000796776856 932063599 /nfs/dbraw/zinc/06/35/99/932063599.db2.gz PFRMQHRFFQXOAS-AWEZNQCLSA-N 0 3 386.452 3.652 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1ccccc1S(C)(=O)=O ZINC000926904797 932342881 /nfs/dbraw/zinc/34/28/81/932342881.db2.gz FAMMKKGCCMVWDG-CYBMUJFWSA-N 0 3 394.518 3.614 20 5 GHBDHN CN(C)Cc1ccccc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000559374637 932637995 /nfs/dbraw/zinc/63/79/95/932637995.db2.gz IFKLZTLDAZUISJ-UHFFFAOYSA-N 0 3 378.226 3.671 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000560680789 933452047 /nfs/dbraw/zinc/45/20/47/933452047.db2.gz UYISRRJXBOXVIC-LBPRGKRZSA-N 0 3 393.394 3.571 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116640559 933679465 /nfs/dbraw/zinc/67/94/65/933679465.db2.gz SXWRICMLXXBBRG-OAQYLSRUSA-N 0 3 396.491 3.777 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)N2CCC(C)CC2)n1 ZINC000561130819 933895489 /nfs/dbraw/zinc/89/54/89/933895489.db2.gz PGEZPBNDAKJUTA-LJQANCHMSA-N 0 3 398.463 3.662 20 5 GHBDHN COC(=O)/C=C\c1ccc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000931313791 934500457 /nfs/dbraw/zinc/50/04/57/934500457.db2.gz QEGIPRLXSRBQDU-GQSKFBFOSA-N 0 3 375.450 3.557 20 5 GHBDHN Cc1nc(CSCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC001122995679 935050704 /nfs/dbraw/zinc/05/07/04/935050704.db2.gz OAFQNEUTCBTLHA-MGPLVRAMSA-N 0 3 384.454 3.774 20 5 GHBDHN Cc1nc(Cl)nc(O[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001227338067 1032380124 /nfs/dbraw/zinc/38/01/24/1032380124.db2.gz IXSIQPQJIKNKLX-SWLSCSKDSA-N 0 3 376.844 3.636 20 5 GHBDHN COC(=O)c1cccc(O[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001227894194 1032674164 /nfs/dbraw/zinc/67/41/64/1032674164.db2.gz KTCZEWASCLZOKG-HNAYVOBHSA-N 0 3 384.432 3.671 20 5 GHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C2CCOCC2)C1 ZINC000933080993 1018839715 /nfs/dbraw/zinc/83/97/15/1018839715.db2.gz FPACOVINIBMXCC-YOEHRIQHSA-N 0 3 386.452 3.844 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000834877907 1021598652 /nfs/dbraw/zinc/59/86/52/1021598652.db2.gz NHXXPRWEJOEVMI-MCIONIFRSA-N 0 3 381.473 3.946 20 5 GHBDHN CC[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000834902862 1021652858 /nfs/dbraw/zinc/65/28/58/1021652858.db2.gz DLFUHVVNASJYAM-ROUUACIJSA-N 0 3 393.484 3.662 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(-n3cncc3CNCc3ccccc3)nn2)cc1 ZINC001156509586 1033076022 /nfs/dbraw/zinc/07/60/22/1033076022.db2.gz WQAVBCDTRIOHEH-UHFFFAOYSA-N 0 3 386.415 3.527 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC000831572127 1024652532 /nfs/dbraw/zinc/65/25/32/1024652532.db2.gz SJCPVUINGXIKNR-QGZVFWFLSA-N 0 3 391.855 3.598 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000832025898 1025147619 /nfs/dbraw/zinc/14/76/19/1025147619.db2.gz PTNOTRRWUWOMHL-MRXNPFEDSA-N 0 3 379.819 3.728 20 5 GHBDHN O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CN(C2CCCCC2)C1 ZINC000838462171 1025151493 /nfs/dbraw/zinc/15/14/93/1025151493.db2.gz ARJKXRNNRLIOGL-UHFFFAOYSA-N 0 3 385.420 3.558 20 5 GHBDHN CN(C)[C@@H](CNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])c1cccs1 ZINC001161941011 1025505449 /nfs/dbraw/zinc/50/54/49/1025505449.db2.gz CAQANBRWGLJDSV-AWEZNQCLSA-N 0 3 376.869 3.995 20 5 GHBDHN CCN(CC)[C@H](CNc1c2cc(OC)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC001162307651 1025709506 /nfs/dbraw/zinc/70/95/06/1025709506.db2.gz APVPUZSCRIKPIF-QGZVFWFLSA-N 0 3 384.436 3.662 20 5 GHBDHN COc1cc(C)nc(N(C)[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001165182455 1026651694 /nfs/dbraw/zinc/65/16/94/1026651694.db2.gz NLARADYGEQIZTQ-CRAIPNDOSA-N 0 3 384.480 3.654 20 5 GHBDHN C[C@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CN1Cc1ccccc1 ZINC001165202017 1026663590 /nfs/dbraw/zinc/66/35/90/1026663590.db2.gz QNVGAGKOFSVOQU-HOTGVXAUSA-N 0 3 377.448 3.637 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC001142071806 1028029551 /nfs/dbraw/zinc/02/95/51/1028029551.db2.gz SZIUOPOOEZOQDQ-NRFANRHFSA-N 0 3 399.466 3.866 20 5 GHBDHN O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303089428 1028734286 /nfs/dbraw/zinc/73/42/86/1028734286.db2.gz PADUSOSUPYWGMW-OAHLLOKOSA-N 0 3 391.269 3.829 20 5 GHBDHN COC(=O)N(C)CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001461648134 1069657681 /nfs/dbraw/zinc/65/76/81/1069657681.db2.gz ONQHLMHZAVTFDZ-UHFFFAOYSA-N 0 3 393.827 3.828 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(COC[C@H]3CN(Cc4ccccc4)CCCO3)nc2c1 ZINC001222930749 1030354872 /nfs/dbraw/zinc/35/48/72/1030354872.db2.gz ZSTVJPPSQMNFJT-GOSISDBHSA-N 0 3 397.431 3.544 20 5 GHBDHN COC(=O)c1c(CO[C@H]2CCCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001223293445 1030512792 /nfs/dbraw/zinc/51/27/92/1030512792.db2.gz QGFDJCGCDLWTRK-SFHVURJKSA-N 0 3 384.432 3.563 20 5 GHBDHN CCOc1cc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001219318832 1031356008 /nfs/dbraw/zinc/35/60/08/1031356008.db2.gz ZYRYSBZDZZUCPX-HNNXBMFYSA-N 0 3 386.452 3.636 20 5 GHBDHN C[C@@H](N)c1ccn(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)n1 ZINC001158356541 1034040980 /nfs/dbraw/zinc/04/09/80/1034040980.db2.gz UGZBJNLMESBRNI-SECBINFHSA-N 0 3 394.769 3.519 20 5 GHBDHN CN(C)Cc1ccccc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001159494221 1034619872 /nfs/dbraw/zinc/61/98/72/1034619872.db2.gz ADJRZXCZSWYDHO-UHFFFAOYSA-N 0 3 376.416 3.971 20 5 GHBDHN CCN1CC[C@@H](Oc2cc(C(F)(F)F)c(Br)cc2[N+](=O)[O-])C1 ZINC001234393413 1039997902 /nfs/dbraw/zinc/99/79/02/1039997902.db2.gz WPARMWBBHNXGGT-MRVPVSSYSA-N 0 3 383.164 3.849 20 5 GHBDHN CN1CCc2c(cccc2OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C1 ZINC001234425858 1040025199 /nfs/dbraw/zinc/02/51/99/1040025199.db2.gz YTRWMGSZXMBMDM-UHFFFAOYSA-N 0 3 385.439 3.770 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCOc4cc(F)cc(F)c43)CC2)cc1 ZINC001254467510 1040254345 /nfs/dbraw/zinc/25/43/45/1040254345.db2.gz BCWSYJPVRPROHM-GOSISDBHSA-N 0 3 389.402 3.955 20 5 GHBDHN COc1cccnc1[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001254472562 1040257853 /nfs/dbraw/zinc/25/78/53/1040257853.db2.gz DUTUXEDFBPJVCC-FQEVSTJZSA-N 0 3 382.464 3.708 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001254558241 1040327671 /nfs/dbraw/zinc/32/76/71/1040327671.db2.gz UBWSEGCAZJUWBC-BSIFCXSSSA-N 0 3 399.466 3.502 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCN(C(=O)OC(C)(C)C)CCC1 ZINC001254564397 1040338934 /nfs/dbraw/zinc/33/89/34/1040338934.db2.gz LKMCNDFWELDYNP-INIZCTEOSA-N 0 3 377.485 3.859 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC(Oc3cnc4ccccc4n3)CC1)C2 ZINC001254606412 1040378244 /nfs/dbraw/zinc/37/82/44/1040378244.db2.gz FJVQCOLRGBKZLM-GOSISDBHSA-N 0 3 390.443 3.549 20 5 GHBDHN CCc1nn(C)c(N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC001306993794 1048996425 /nfs/dbraw/zinc/99/64/25/1048996425.db2.gz WNZJGMKNKAPYPA-UHFFFAOYSA-N 0 3 397.523 3.916 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)N(C)C)cc1 ZINC001290308259 1049796551 /nfs/dbraw/zinc/79/65/51/1049796551.db2.gz CULZRVBHNSPWJR-GOSISDBHSA-N 0 3 375.856 3.843 20 5 GHBDHN C[C@@](CO)(Cc1ccccc1F)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC001308118988 1049863087 /nfs/dbraw/zinc/86/30/87/1049863087.db2.gz XMDALGNNNIKFCY-KRWDZBQOSA-N 0 3 397.244 3.580 20 5 GHBDHN CN1CCCC[C@H]1CNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001310300805 1051278497 /nfs/dbraw/zinc/27/84/97/1051278497.db2.gz DDOBILDHSWKAKQ-KRWDZBQOSA-N 0 3 384.436 3.993 20 5 GHBDHN COc1ccccc1C1(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001337306688 1052444508 /nfs/dbraw/zinc/44/45/08/1052444508.db2.gz BOGVQXCNIFYYJJ-HNNXBMFYSA-N 0 3 383.448 3.990 20 5 GHBDHN C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001312817642 1052880872 /nfs/dbraw/zinc/88/08/72/1052880872.db2.gz UUVHUVXFEGFBOR-HLIPFELVSA-N 0 3 396.491 3.661 20 5 GHBDHN CN1CCN(Cc2cccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)c2)CC1 ZINC001318340676 1054575630 /nfs/dbraw/zinc/57/56/30/1054575630.db2.gz VNKJWHCZAIMORV-UHFFFAOYSA-N 0 3 397.504 3.564 20 5 GHBDHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318838388 1054910237 /nfs/dbraw/zinc/91/02/37/1054910237.db2.gz PWOMDAUSYVIHNS-NRFANRHFSA-N 0 3 394.475 3.847 20 5 GHBDHN CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccc1F ZINC001327311276 1057636938 /nfs/dbraw/zinc/63/69/38/1057636938.db2.gz AGGAYJMRRIOHIQ-UHFFFAOYSA-N 0 3 375.400 3.593 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001436281665 1063357775 /nfs/dbraw/zinc/35/77/75/1063357775.db2.gz VNDHOAQBPQGJCH-INIZCTEOSA-N 0 3 381.476 3.806 20 5 GHBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001348883916 1063376078 /nfs/dbraw/zinc/37/60/78/1063376078.db2.gz OJTMIAOJADOPSK-UHFFFAOYSA-N 0 3 392.459 3.534 20 5 GHBDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC001458468580 1063828831 /nfs/dbraw/zinc/82/88/31/1063828831.db2.gz JZZOZGCVUSBVHO-SOUVJXGZSA-N 0 3 385.493 3.792 20 5 GHBDHN CC(C)C1CCC(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001465647284 1065767600 /nfs/dbraw/zinc/76/76/00/1065767600.db2.gz ANLCXFQTMVODQV-LFYBBSHMSA-N 0 3 385.508 3.967 20 5 GHBDHN CN1CCC(N(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC001357399620 1067082248 /nfs/dbraw/zinc/08/22/48/1067082248.db2.gz UVXFEQGORRBHKD-UHFFFAOYSA-N 0 3 385.439 3.794 20 5 GHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC001468701225 1067835579 /nfs/dbraw/zinc/83/55/79/1067835579.db2.gz NMWGZTYPMMPSQB-LJQANCHMSA-N 0 3 387.455 3.965 20 5 GHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC001468701744 1067835721 /nfs/dbraw/zinc/83/57/21/1067835721.db2.gz WDERHKHEWGBBAK-OAQYLSRUSA-N 0 3 399.491 3.591 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001471084262 1072915939 /nfs/dbraw/zinc/91/59/39/1072915939.db2.gz WRZRDOYHUIQFJB-UHFFFAOYSA-N 0 3 396.491 3.629 20 5 GHBDHN CCOc1cc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001473581803 1074030023 /nfs/dbraw/zinc/03/00/23/1074030023.db2.gz FFZBMXWMYYDSPR-FPOVZHCZSA-N 0 3 384.476 3.952 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001474374789 1074370997 /nfs/dbraw/zinc/37/09/97/1074370997.db2.gz DGAHKGJPSNNASQ-RHSMWYFYSA-N 0 3 377.485 3.947 20 5 GHBDHN COc1ccccc1C[C@@](C)(CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001621022344 1126244621 /nfs/dbraw/zinc/24/46/21/1126244621.db2.gz SHAWIUWBHBYAQG-QFIPXVFZSA-N 0 3 396.443 3.947 20 5 GHBDHN COc1ccccc1C[C@](C)(CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001621022343 1126244705 /nfs/dbraw/zinc/24/47/05/1126244705.db2.gz SHAWIUWBHBYAQG-JOCHJYFZSA-N 0 3 396.443 3.947 20 5 GHBDHN CCOC(=O)c1ccnc(N[C@H](CN2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000610279259 837714204 /nfs/dbraw/zinc/71/42/04/837714204.db2.gz NCSABQSOUZZLHO-GOSISDBHSA-N 0 3 398.463 3.806 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000583896292 835204636 /nfs/dbraw/zinc/20/46/36/835204636.db2.gz SGNQDDKKBXCWEY-FUHWJXTLSA-N 0 3 382.464 3.996 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000471161737 835276327 /nfs/dbraw/zinc/27/63/27/835276327.db2.gz QMRBDWIJWWFVJR-JOCHJYFZSA-N 0 3 397.475 3.778 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000136185243 835319328 /nfs/dbraw/zinc/31/93/28/835319328.db2.gz YWWMGUHBURZYBX-QAPCUYQASA-N 0 3 382.464 3.996 20 5 GHBDHN CCCCNC(=O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000179330910 835531491 /nfs/dbraw/zinc/53/14/91/835531491.db2.gz AAHFVYFDQAQZHD-UHFFFAOYSA-N 0 3 385.464 3.983 20 5 GHBDHN CN1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[C@@H]1c1ccccc1 ZINC000179471183 835735149 /nfs/dbraw/zinc/73/51/49/835735149.db2.gz KAAAWHRCQNZZDY-RTWAWAEBSA-N 0 3 394.475 3.714 20 5 GHBDHN CCC[C@@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000179513462 835849304 /nfs/dbraw/zinc/84/93/04/835849304.db2.gz DGXQOUHVOMMIQK-MGPUTAFESA-N 0 3 380.448 3.824 20 5 GHBDHN CC[C@@H](CSc1ccccc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582482179 836285327 /nfs/dbraw/zinc/28/53/27/836285327.db2.gz WSIPAGXPKDSXDH-HNNXBMFYSA-N 0 3 394.518 3.529 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000548946755 836483995 /nfs/dbraw/zinc/48/39/95/836483995.db2.gz SBWVFQNYSGLTDP-KRWDZBQOSA-N 0 3 376.844 3.981 20 5 GHBDHN Cc1c(CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000728930084 844189537 /nfs/dbraw/zinc/18/95/37/844189537.db2.gz GLSFAFDZRNBLTG-UHFFFAOYSA-N 0 3 377.485 3.982 20 5 GHBDHN COc1ccc([C@@H](C)NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000180269484 836915348 /nfs/dbraw/zinc/91/53/48/836915348.db2.gz PPSSLWDWENKMOD-CYBMUJFWSA-N 0 3 384.411 3.994 20 5 GHBDHN C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000180417059 837224324 /nfs/dbraw/zinc/22/43/24/837224324.db2.gz SBUPILMAHMFCPE-AWEZNQCLSA-N 0 3 375.856 3.775 20 5 GHBDHN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H]1CN1CCCC1 ZINC000275607396 837949170 /nfs/dbraw/zinc/94/91/70/837949170.db2.gz QPNUJEQYYWCSBF-KRWDZBQOSA-N 0 3 375.472 3.794 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001125400022 838424969 /nfs/dbraw/zinc/42/49/69/838424969.db2.gz YDHCDOGSVFHVIR-KYPFXXDHSA-N 0 3 379.460 3.650 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC001125847820 838509213 /nfs/dbraw/zinc/50/92/13/838509213.db2.gz XFDMBBGBJZUAMM-UHFFFAOYSA-N 0 3 387.505 3.829 20 5 GHBDHN CC1(C)C(=O)N[C@H]1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000580216911 839063910 /nfs/dbraw/zinc/06/39/10/839063910.db2.gz MEKHTOAOKUNVDE-IBGZPJMESA-N 0 3 383.448 3.591 20 5 GHBDHN C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1=CCN(C)CC1 ZINC000275911982 839781181 /nfs/dbraw/zinc/78/11/81/839781181.db2.gz DTVXGNCQIHLFGH-GFCCVEGCSA-N 0 3 397.425 3.752 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1 ZINC000549295917 839883198 /nfs/dbraw/zinc/88/31/98/839883198.db2.gz MVGHMYIFUGTTRW-UHFFFAOYSA-N 0 3 397.475 3.730 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CS(=O)(=O)c3ccccc31)CCCC2 ZINC000417353083 840758303 /nfs/dbraw/zinc/75/83/03/840758303.db2.gz WKDHGFDKYLYWRG-BEFAXECRSA-N 0 3 386.473 3.523 20 5 GHBDHN CSC[C@@H](CCO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000124145835 840802311 /nfs/dbraw/zinc/80/23/11/840802311.db2.gz GWVNECLYMVCARS-MRXNPFEDSA-N 0 3 375.494 3.566 20 5 GHBDHN CC(C)(CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1(O)CCOCC1 ZINC000417390007 840806580 /nfs/dbraw/zinc/80/65/80/840806580.db2.gz YFONLEICODAREU-FQEVSTJZSA-N 0 3 384.476 3.842 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126419162 841053644 /nfs/dbraw/zinc/05/36/44/841053644.db2.gz JNDDUKZXWBPEJU-BXWFABGCSA-N 0 3 382.464 3.618 20 5 GHBDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000126429328 841057102 /nfs/dbraw/zinc/05/71/02/841057102.db2.gz KYXAMRUXXLQPFE-HZPDHXFCSA-N 0 3 382.464 3.873 20 5 GHBDHN CN(C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000131103501 861203449 /nfs/dbraw/zinc/20/34/49/861203449.db2.gz COXGQOWYTCCEHK-FQEVSTJZSA-N 0 3 382.464 3.572 20 5 GHBDHN C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000108442494 841616316 /nfs/dbraw/zinc/61/63/16/841616316.db2.gz NJJAUNMRFPKFBQ-YOEHRIQHSA-N 0 3 388.493 3.854 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000302879313 861396172 /nfs/dbraw/zinc/39/61/72/861396172.db2.gz OAGVIAKNXSSZLQ-HXUWFJFHSA-N 0 3 385.464 3.725 20 5 GHBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000610667314 843453974 /nfs/dbraw/zinc/45/39/74/843453974.db2.gz NHGCNZDIQKPKKJ-OAQYLSRUSA-N 0 3 381.476 3.871 20 5 GHBDHN Cc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000190301783 843710555 /nfs/dbraw/zinc/71/05/55/843710555.db2.gz VJPBFXAJNSCYTA-GQCTYLIASA-N 0 3 383.839 3.940 20 5 GHBDHN CC(=O)Nc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000433206509 843831740 /nfs/dbraw/zinc/83/17/40/843831740.db2.gz ILVFYSCDPSBGDE-UHFFFAOYSA-N 0 3 382.445 3.967 20 5 GHBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C)C2(CCCCC2)C1 ZINC000582010753 845164350 /nfs/dbraw/zinc/16/43/50/845164350.db2.gz BMTYLYQPKFIIOZ-AWEZNQCLSA-N 0 3 394.903 3.526 20 5 GHBDHN CC(C)(C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000429863758 845419315 /nfs/dbraw/zinc/41/93/15/845419315.db2.gz UPXHLFNOSYUSPG-HXUWFJFHSA-N 0 3 381.476 3.826 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H](CO)Cc3ccccc3C)o2)c([N+](=O)[O-])c1 ZINC000466904449 845544506 /nfs/dbraw/zinc/54/45/06/845544506.db2.gz JMGJODKLIZWSLS-QGZVFWFLSA-N 0 3 396.443 3.865 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000502569602 846193897 /nfs/dbraw/zinc/19/38/97/846193897.db2.gz LXZGJCWLYMMFRN-UHFFFAOYSA-N 0 3 397.479 3.998 20 5 GHBDHN COc1cc(CNC[C@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000237260718 846501895 /nfs/dbraw/zinc/50/18/95/846501895.db2.gz LIWRTBHGRJCXGC-LBPRGKRZSA-N 0 3 380.828 3.823 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H]2CCC[C@@H]2CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000502844743 846536346 /nfs/dbraw/zinc/53/63/46/846536346.db2.gz UQEGTQJIJOFABU-PLMTUMEDSA-N 0 3 397.475 3.724 20 5 GHBDHN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccnc3ccccc32)CC1 ZINC000552007693 846638002 /nfs/dbraw/zinc/63/80/02/846638002.db2.gz BRGSYRXWSKVHHX-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000120024789 846756530 /nfs/dbraw/zinc/75/65/30/846756530.db2.gz JTJDLLOXCLDKKY-UHFFFAOYSA-N 0 3 394.431 3.746 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc2ccccc21 ZINC000511139829 847404242 /nfs/dbraw/zinc/40/42/42/847404242.db2.gz RNCACYWXIZPPQG-LJQANCHMSA-N 0 3 380.444 3.662 20 5 GHBDHN CCOc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000131909597 861819438 /nfs/dbraw/zinc/81/94/38/861819438.db2.gz WCBVRDFXVFBEOR-QGZVFWFLSA-N 0 3 397.475 3.730 20 5 GHBDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000131082636 848440772 /nfs/dbraw/zinc/44/07/72/848440772.db2.gz DHMVJIWVPAHBJR-SFHVURJKSA-N 0 3 387.436 3.808 20 5 GHBDHN CC1(C)C[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC000518759470 850070712 /nfs/dbraw/zinc/07/07/12/850070712.db2.gz WJOWNOQQEWSCOV-INIZCTEOSA-N 0 3 387.411 3.955 20 5 GHBDHN CC(C)N1CCN(c2cccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000504694220 850259803 /nfs/dbraw/zinc/25/98/03/850259803.db2.gz FVAWEROKCCSDLO-UHFFFAOYSA-N 0 3 383.452 3.769 20 5 GHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(=O)N(C)Cc1ccccc1 ZINC000504911117 850443050 /nfs/dbraw/zinc/44/30/50/850443050.db2.gz APCGSPNRGMNKHS-QGZVFWFLSA-N 0 3 387.505 3.714 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000514930885 850499047 /nfs/dbraw/zinc/49/90/47/850499047.db2.gz LUUNLPMWJOICGR-LJQANCHMSA-N 0 3 386.452 3.808 20 5 GHBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000487193382 850550457 /nfs/dbraw/zinc/55/04/57/850550457.db2.gz ZHYZJPTWYIRQJE-SCLBCKFNSA-N 0 3 375.856 3.978 20 5 GHBDHN C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000151246356 850621314 /nfs/dbraw/zinc/62/13/14/850621314.db2.gz XTIWFHYQBKHWOS-SWLSCSKDSA-N 0 3 380.828 3.792 20 5 GHBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426574003 850795650 /nfs/dbraw/zinc/79/56/50/850795650.db2.gz SNHIRVCDDLFMFH-INIZCTEOSA-N 0 3 385.464 3.540 20 5 GHBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436419632 851592023 /nfs/dbraw/zinc/59/20/23/851592023.db2.gz KALYSFRQBHOJRL-AWEZNQCLSA-N 0 3 393.462 3.567 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2)CC1 ZINC000515979974 852013955 /nfs/dbraw/zinc/01/39/55/852013955.db2.gz KETHFAAOCOPREW-FQEVSTJZSA-N 0 3 385.439 3.937 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490017043 852724744 /nfs/dbraw/zinc/72/47/44/852724744.db2.gz XMEOMIKRXMYLIP-APWZRJJASA-N 0 3 396.491 3.650 20 5 GHBDHN COc1cc(N[C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)cc(OC)c1 ZINC000490049544 852735554 /nfs/dbraw/zinc/73/55/54/852735554.db2.gz ODRVIWUBBDAEHH-KRWDZBQOSA-N 0 3 385.464 3.997 20 5 GHBDHN Cn1cc(CN2CC[C@H](COc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507715255 853218380 /nfs/dbraw/zinc/21/83/80/853218380.db2.gz BIGXWKVJCYQEGF-KRWDZBQOSA-N 0 3 392.459 3.896 20 5 GHBDHN CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760656400 853669959 /nfs/dbraw/zinc/66/99/59/853669959.db2.gz ULPWLIKYBRKGAX-KRWDZBQOSA-N 0 3 387.867 3.985 20 5 GHBDHN CC(=O)c1cc(N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000587993206 854061271 /nfs/dbraw/zinc/06/12/71/854061271.db2.gz QEHPQMGSZRLNNT-HOTGVXAUSA-N 0 3 389.496 3.513 20 5 GHBDHN C[C@@H](CN1CCCC1=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000171050797 862564222 /nfs/dbraw/zinc/56/42/22/862564222.db2.gz SVIARBXNAUDXIH-LBPRGKRZSA-N 0 3 377.828 3.609 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000536365537 855121172 /nfs/dbraw/zinc/12/11/72/855121172.db2.gz LSAMMDFZFXWKGU-NRFANRHFSA-N 0 3 396.491 3.611 20 5 GHBDHN O=[N+]([O-])c1cnc(NCCCN2CCc3ccccc3C2)c(Br)c1 ZINC000301556057 855241479 /nfs/dbraw/zinc/24/14/79/855241479.db2.gz SHIQXDGODKXVOW-UHFFFAOYSA-N 0 3 391.269 3.613 20 5 GHBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC000590444259 855423533 /nfs/dbraw/zinc/42/35/33/855423533.db2.gz NJWYCCWIBMTEAV-KSSFIOAISA-N 0 3 383.473 3.522 20 5 GHBDHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000733106724 862721474 /nfs/dbraw/zinc/72/14/74/862721474.db2.gz BDYHGJUJGWPFHP-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733105836 862721528 /nfs/dbraw/zinc/72/15/28/862721528.db2.gz UNXYTGVBAKFCGN-UHFFFAOYSA-N 0 3 379.819 3.591 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000733107320 862722409 /nfs/dbraw/zinc/72/24/09/862722409.db2.gz LALQKNOZBDZRIV-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN CCN1CC[C@@H](N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000462871862 856394427 /nfs/dbraw/zinc/39/44/27/856394427.db2.gz INVSMBQABPJSJC-VQIMIIECSA-N 0 3 381.476 3.992 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592693922 857026876 /nfs/dbraw/zinc/02/68/76/857026876.db2.gz BQMFFVUTPOSRQO-IBGZPJMESA-N 0 3 397.475 3.729 20 5 GHBDHN CN1CC[C@H]2[C@H](CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301698020 857220492 /nfs/dbraw/zinc/22/04/92/857220492.db2.gz CBCMCTWVXOZTEX-MOPGFXCFSA-N 0 3 379.460 3.746 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301742131 857533375 /nfs/dbraw/zinc/53/33/75/857533375.db2.gz YKXFLNMVJYBWSK-LLVKDONJSA-N 0 3 393.793 3.932 20 5 GHBDHN C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000508908462 858073377 /nfs/dbraw/zinc/07/33/77/858073377.db2.gz SOYTVPSGRBSTBA-KKSFZXQISA-N 0 3 396.491 3.960 20 5 GHBDHN CC(C)(C)O[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCC2 ZINC000594990538 858359963 /nfs/dbraw/zinc/35/99/63/858359963.db2.gz ZUDXLQAILCAHJM-SJORKVTESA-N 0 3 376.453 3.677 20 5 GHBDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2onc(C)c2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595369402 858519026 /nfs/dbraw/zinc/51/90/26/858519026.db2.gz FEDGIOCRBPCMMY-XSIBGMEISA-N 0 3 392.500 3.575 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CCOCc1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000595564104 858554249 /nfs/dbraw/zinc/55/42/49/858554249.db2.gz WUERYBJUGXURPK-MEMLXQNLSA-N 0 3 384.476 3.917 20 5 GHBDHN CC(C)(C)OC(=O)NC(C)(C)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000761201302 859092262 /nfs/dbraw/zinc/09/22/62/859092262.db2.gz GRDDQBGDUOWTBF-UHFFFAOYSA-N 0 3 393.484 3.741 20 5 GHBDHN CC(C)COC[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccco1 ZINC000602535691 860104380 /nfs/dbraw/zinc/10/43/80/860104380.db2.gz XQRUBPDKZXDNNU-SFHVURJKSA-N 0 3 388.468 3.555 20 5 GHBDHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124236200 860285033 /nfs/dbraw/zinc/28/50/33/860285033.db2.gz HPOSCSJVHLJKRQ-MRXNPFEDSA-N 0 3 385.464 3.983 20 5 GHBDHN CC[C@H](O)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000093687799 860331707 /nfs/dbraw/zinc/33/17/07/860331707.db2.gz ZITANJFFXJNMGG-NRFANRHFSA-N 0 3 394.475 3.768 20 5 GHBDHN Cc1cc(N2CCCN(Cc3cscn3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302199742 860917956 /nfs/dbraw/zinc/91/79/56/860917956.db2.gz URXGHPHTOGGNLA-UHFFFAOYSA-N 0 3 383.477 3.620 20 5 GHBDHN CCOc1ccc2c(c1)[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000186693632 861053179 /nfs/dbraw/zinc/05/31/79/861053179.db2.gz ZDZOZZDKXDRVLE-IFXJQAMLSA-N 0 3 399.447 3.824 20 5 GHBDHN CN(C(=O)OC(C)(C)C)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000170960166 861102189 /nfs/dbraw/zinc/10/21/89/861102189.db2.gz OJFGYELYINRUTE-UHFFFAOYSA-N 0 3 393.484 3.695 20 5 GHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000185642335 861106816 /nfs/dbraw/zinc/10/68/16/861106816.db2.gz XWWQRKGDQOQYOB-LLVKDONJSA-N 0 3 386.374 3.700 20 5 GHBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444032261 863177830 /nfs/dbraw/zinc/17/78/30/863177830.db2.gz OVDYRGLVAYLELK-OAHLLOKOSA-N 0 3 395.478 3.815 20 5 GHBDHN CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000522781279 863279475 /nfs/dbraw/zinc/27/94/75/863279475.db2.gz JAIBCFUTTLPWHC-VQIMIIECSA-N 0 3 396.491 3.934 20 5 GHBDHN Cc1ccccc1[C@H]1C[C@H](C)N(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000738054038 865488430 /nfs/dbraw/zinc/48/84/30/865488430.db2.gz FKFVCRKENXVANC-WMZOPIPTSA-N 0 3 377.448 3.997 20 5 GHBDHN Cn1cc(CN2CC[C@H](Oc3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183209152 866374634 /nfs/dbraw/zinc/37/46/34/866374634.db2.gz FQVPTXVSFCPQGT-FQEVSTJZSA-N 0 3 396.422 3.788 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCCCn2cc(Br)cn2)c1 ZINC000793206530 882032430 /nfs/dbraw/zinc/03/24/30/882032430.db2.gz IUIZIDZRBHIHNS-UHFFFAOYSA-N 0 3 387.665 3.777 20 5 GHBDHN COc1ccccc1[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CCCC1 ZINC000553250768 867051433 /nfs/dbraw/zinc/05/14/33/867051433.db2.gz MRAGPSWFVIRZBN-HNNXBMFYSA-N 0 3 399.476 3.857 20 5 GHBDHN CN(CCOc1ccccc1F)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000121512517 867531439 /nfs/dbraw/zinc/53/14/39/867531439.db2.gz HUUOZWGCNJAUQB-UHFFFAOYSA-N 0 3 384.411 3.645 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC001170434038 882246071 /nfs/dbraw/zinc/24/60/71/882246071.db2.gz DMLDBYFLSJJYER-ITDSCVKFSA-N 0 3 392.496 3.931 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000462414441 869396339 /nfs/dbraw/zinc/39/63/39/869396339.db2.gz LZUFOXUJQZDMEE-UXHICEINSA-N 0 3 381.476 3.554 20 5 GHBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793607947 882317632 /nfs/dbraw/zinc/31/76/32/882317632.db2.gz GASLCOHLOIMKPJ-CJNGLKHVSA-N 0 3 376.840 3.758 20 5 GHBDHN CC(C)OC(=O)C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001169187220 871284189 /nfs/dbraw/zinc/28/41/89/871284189.db2.gz DUVNZKLKDXCCME-IBGZPJMESA-N 0 3 399.447 3.596 20 5 GHBDHN CC(C)(C)OC(=O)NC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC001193906495 871388679 /nfs/dbraw/zinc/38/86/79/871388679.db2.gz MKXNMMRRGNWBMF-QGZVFWFLSA-N 0 3 381.448 3.907 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000462190728 871757402 /nfs/dbraw/zinc/75/74/02/871757402.db2.gz QLOLXYNCZSFUED-MGPUTAFESA-N 0 3 399.466 3.648 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462204240 871806303 /nfs/dbraw/zinc/80/63/03/871806303.db2.gz PZIWCHHPHNXQFC-UWVAXJGDSA-N 0 3 396.491 3.784 20 5 GHBDHN COc1ccc(OC(F)F)c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447578793 871923744 /nfs/dbraw/zinc/92/37/44/871923744.db2.gz HKFMSPWHUBXHOI-HUUCEWRRSA-N 0 3 396.394 3.675 20 5 GHBDHN COc1ccc(OC(F)F)c(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447578791 871924231 /nfs/dbraw/zinc/92/42/31/871924231.db2.gz HKFMSPWHUBXHOI-CABCVRRESA-N 0 3 396.394 3.675 20 5 GHBDHN CCc1ccc([C@H]2CCN(Cc3ccc(OCC(=O)OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000552273065 872363517 /nfs/dbraw/zinc/36/35/17/872363517.db2.gz QJQJUEQHWIAZHA-IBGZPJMESA-N 0 3 398.459 3.699 20 5 GHBDHN NC(=O)c1ccc(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000767886456 872914139 /nfs/dbraw/zinc/91/41/39/872914139.db2.gz XLZNMKFQIAUNHC-CQSZACIVSA-N 0 3 393.365 3.702 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000463971903 872997473 /nfs/dbraw/zinc/99/74/73/872997473.db2.gz VBGAGNBXWVMXNL-WMZOPIPTSA-N 0 3 382.464 3.996 20 5 GHBDHN C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001197005019 873524105 /nfs/dbraw/zinc/52/41/05/873524105.db2.gz WXIYNXJWQQODMI-LJQANCHMSA-N 0 3 393.846 3.646 20 5 GHBDHN O=C(C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1)N1CCCC1 ZINC000122467610 874381837 /nfs/dbraw/zinc/38/18/37/874381837.db2.gz ZZKGFBULNDKUIL-UHFFFAOYSA-N 0 3 383.448 3.689 20 5 GHBDHN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000449252168 874632552 /nfs/dbraw/zinc/63/25/52/874632552.db2.gz RSGGGMKYCRXRSZ-LBPRGKRZSA-N 0 3 382.869 3.545 20 5 GHBDHN Cc1c(Br)cccc1C[C@@H](CO)CNCc1csc([N+](=O)[O-])c1 ZINC000449683925 875234776 /nfs/dbraw/zinc/23/47/76/875234776.db2.gz OMFLWBKBAYYBLP-GFCCVEGCSA-N 0 3 399.310 3.668 20 5 GHBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N(C)Cc1ccccc1 ZINC000550961475 882920910 /nfs/dbraw/zinc/92/09/10/882920910.db2.gz GZNNVZBUUDGNSI-ZDUSSCGKSA-N 0 3 395.381 3.864 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000804566525 883051013 /nfs/dbraw/zinc/05/10/13/883051013.db2.gz TYFNFOBUEXNQNC-UHFFFAOYSA-N 0 3 385.867 3.654 20 5 GHBDHN C/C=C/c1ccc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000451107460 877366180 /nfs/dbraw/zinc/36/61/80/877366180.db2.gz RSWDZERGTZLFLH-IHMJFIQFSA-N 0 3 386.448 3.727 20 5 GHBDHN C[C@H](NC[C@H](O)COc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000451102298 877397264 /nfs/dbraw/zinc/39/72/64/877397264.db2.gz CKTVZPKYLYXIRQ-FZMZJTMJSA-N 0 3 385.247 3.992 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)N(C)C)cc1 ZINC000787813672 877635282 /nfs/dbraw/zinc/63/52/82/877635282.db2.gz VXZYHAPOQYBHAY-INIZCTEOSA-N 0 3 376.844 3.981 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451484522 878029527 /nfs/dbraw/zinc/02/95/27/878029527.db2.gz XFBGGHZLDLIBDA-XFBWCDHKSA-N 0 3 381.860 3.513 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)COc3cccc4[nH]ccc43)C2)cc1 ZINC000451543487 878113239 /nfs/dbraw/zinc/11/32/39/878113239.db2.gz BZSZLPCMYUFSKJ-HKUYNNGSSA-N 0 3 395.459 3.695 20 5 GHBDHN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001170086378 878170335 /nfs/dbraw/zinc/17/03/35/878170335.db2.gz SBXIBKCTXIMORQ-XLIONFOSSA-N 0 3 389.496 3.860 20 5 GHBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000776579177 878190207 /nfs/dbraw/zinc/19/02/07/878190207.db2.gz LEOGPEOXRASQJZ-SQNIBIBYSA-N 0 3 397.258 3.525 20 5 GHBDHN COc1ccc(OC)c(CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)c1 ZINC000776585819 878233828 /nfs/dbraw/zinc/23/38/28/878233828.db2.gz ABRMLKKTJLNTFK-IBGZPJMESA-N 0 3 388.464 3.946 20 5 GHBDHN CC(C)C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000538141678 878886649 /nfs/dbraw/zinc/88/66/49/878886649.db2.gz QZHDPGXMHLIITG-OAHLLOKOSA-N 0 3 385.420 3.639 20 5 GHBDHN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000113095841 880330953 /nfs/dbraw/zinc/33/09/53/880330953.db2.gz HVAIZIMNGUPXHM-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000791981671 880820561 /nfs/dbraw/zinc/82/05/61/880820561.db2.gz YBLMWQPJTTYJNX-HKUYNNGSSA-N 0 3 395.459 3.668 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC000499118009 881189332 /nfs/dbraw/zinc/18/93/32/881189332.db2.gz ZXEDVAOIFYPICD-ZWOKBUDYSA-N 0 3 396.491 3.926 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CN1C1CC1 ZINC000152984585 881286201 /nfs/dbraw/zinc/28/62/01/881286201.db2.gz HATXLMADIORIGG-ZIAGYGMSSA-N 0 3 389.521 3.985 20 5 GHBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000609383286 883124377 /nfs/dbraw/zinc/12/43/77/883124377.db2.gz LBOPVTGUTHBPBF-INIZCTEOSA-N 0 3 381.432 3.601 20 5 GHBDHN CN1CCC(N(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000609566907 883348928 /nfs/dbraw/zinc/34/89/28/883348928.db2.gz WJAFIXHQIXVSRZ-UHFFFAOYSA-N 0 3 394.475 3.910 20 5 GHBDHN CC(C)(C)OC(=O)N1CC(CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000859166637 883634965 /nfs/dbraw/zinc/63/49/65/883634965.db2.gz HGMXQMJYNIXDLL-UHFFFAOYSA-N 0 3 375.469 3.816 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCC(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000551406273 883810613 /nfs/dbraw/zinc/81/06/13/883810613.db2.gz LFWXVIXAQNDREM-UHFFFAOYSA-N 0 3 389.374 3.596 20 5 GHBDHN CN(C)C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000859848008 884119817 /nfs/dbraw/zinc/11/98/17/884119817.db2.gz ZJWXDGJXPVUREO-ZWKOTPCHSA-N 0 3 398.290 3.828 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)s1 ZINC000808452594 886365072 /nfs/dbraw/zinc/36/50/72/886365072.db2.gz MGWBEBQNTZLZEG-JXFKEZNVSA-N 0 3 382.441 3.908 20 5 GHBDHN CC1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000499057776 886487360 /nfs/dbraw/zinc/48/73/60/886487360.db2.gz XJCQXNBTLLGCLY-UHFFFAOYSA-N 0 3 384.274 3.806 20 5 GHBDHN Cc1c(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000454201369 886630556 /nfs/dbraw/zinc/63/05/56/886630556.db2.gz PFXNMYUFZCRXJR-MRXNPFEDSA-N 0 3 382.464 3.889 20 5 GHBDHN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N(CCN1CCCC1)c1ccccc1 ZINC000536517189 886645603 /nfs/dbraw/zinc/64/56/03/886645603.db2.gz MTYQNVAJNZDKIP-UHFFFAOYSA-N 0 3 378.432 3.819 20 5 GHBDHN CN1CCC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129848753 887356749 /nfs/dbraw/zinc/35/67/49/887356749.db2.gz BQOPIIJUEBCLMO-SJKOYZFVSA-N 0 3 377.441 3.608 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762975434 887476808 /nfs/dbraw/zinc/47/68/08/887476808.db2.gz WCLMLYSZBHOORN-ZRCAFCQKSA-N 0 3 379.460 3.841 20 5 GHBDHN C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000454244043 887549927 /nfs/dbraw/zinc/54/99/27/887549927.db2.gz VBANDQAJZHSATJ-JXFKEZNVSA-N 0 3 382.464 3.792 20 5 GHBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1Cl ZINC000809994881 888050049 /nfs/dbraw/zinc/05/00/49/888050049.db2.gz HRKWUGCTXCLFLZ-KRWDZBQOSA-N 0 3 376.840 3.918 20 5 GHBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2ccccc2F)CC1 ZINC000532976559 889438228 /nfs/dbraw/zinc/43/82/28/889438228.db2.gz JEMNQOJRIWOAKU-UHFFFAOYSA-N 0 3 399.422 3.912 20 5 GHBDHN CC(COC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)[N+](=O)[O-] ZINC000813111323 891304730 /nfs/dbraw/zinc/30/47/30/891304730.db2.gz RFCYWKUPHIWOMO-BLLLJJGKSA-N 0 3 394.221 3.778 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])Cc1ccccc1 ZINC000813378239 891561664 /nfs/dbraw/zinc/56/16/64/891561664.db2.gz NSHAJNYCUNVACA-AWEZNQCLSA-N 0 3 396.274 3.804 20 5 GHBDHN COc1cccc(CN2CCC(Nc3c4ccccc4ncc3[N+](=O)[O-])CC2)c1 ZINC000813587871 891769973 /nfs/dbraw/zinc/76/99/73/891769973.db2.gz VJCMPASEYMPNSG-UHFFFAOYSA-N 0 3 392.459 3.650 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000814642400 893032111 /nfs/dbraw/zinc/03/21/11/893032111.db2.gz FWVDULNVXDGIIY-UHFFFAOYSA-N 0 3 375.469 3.818 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000498188725 893529375 /nfs/dbraw/zinc/52/93/75/893529375.db2.gz YAFOAUABWIYFDU-NVXWUHKLSA-N 0 3 390.443 3.708 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000778237168 893535550 /nfs/dbraw/zinc/53/55/50/893535550.db2.gz UKIJEGCSGKAKEC-MRXNPFEDSA-N 0 3 397.447 3.947 20 5 GHBDHN C[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Br)cc1F ZINC000877522360 893664987 /nfs/dbraw/zinc/66/49/87/893664987.db2.gz DFGCBCBHIWXVCN-OIKLOGQESA-N 0 3 383.221 3.747 20 5 GHBDHN C[C@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572365 894040141 /nfs/dbraw/zinc/04/01/41/894040141.db2.gz BGDJTUKTQLPDAV-AWEZNQCLSA-N 0 3 391.431 3.675 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876697 913866350 /nfs/dbraw/zinc/86/63/50/913866350.db2.gz QXMGMLVQCXOJLH-INIZCTEOSA-N 0 3 384.436 3.599 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@@H](C3CCOCC3)C2)o1 ZINC000880577635 895754542 /nfs/dbraw/zinc/75/45/42/895754542.db2.gz NDIYZYYFXFYWKW-MRXNPFEDSA-N 0 3 386.452 3.674 20 5 GHBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001136225012 896700014 /nfs/dbraw/zinc/70/00/14/896700014.db2.gz PJFOFANEILMBJE-MRXNPFEDSA-N 0 3 383.448 3.849 20 5 GHBDHN O=C(C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)NCc1ccc(F)cc1 ZINC000567349625 897083849 /nfs/dbraw/zinc/08/38/49/897083849.db2.gz XMPGVMRPALPPSJ-SFHVURJKSA-N 0 3 385.439 3.652 20 5 GHBDHN CC(C)[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000569171243 898388219 /nfs/dbraw/zinc/38/82/19/898388219.db2.gz NQVYEFFLOAWNMT-VGOFRKELSA-N 0 3 395.503 3.897 20 5 GHBDHN CCNc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000824383047 899576297 /nfs/dbraw/zinc/57/62/97/899576297.db2.gz JHVLAKWZKHVHIU-XLIONFOSSA-N 0 3 394.475 3.783 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000574348025 900854376 /nfs/dbraw/zinc/85/43/76/900854376.db2.gz PLPBKNVWBUTXSF-HDMKZQKVSA-N 0 3 391.537 3.898 20 5 GHBDHN Cn1cc(CN2CCC(OC3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092758538 901512582 /nfs/dbraw/zinc/51/25/82/901512582.db2.gz SWEACBTZPMHUFE-UHFFFAOYSA-N 0 3 384.480 3.919 20 5 GHBDHN C[C@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC001144568809 902399775 /nfs/dbraw/zinc/39/97/75/902399775.db2.gz ONRYMNBIXOSQOI-FQEVSTJZSA-N 0 3 387.867 3.572 20 5 GHBDHN COc1cc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845873946 902478312 /nfs/dbraw/zinc/47/83/12/902478312.db2.gz FNOHASKKSUYYQK-SGTLLEGYSA-N 0 3 377.368 3.715 20 5 GHBDHN COc1ccc(C(C)=O)cc1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873917 902478352 /nfs/dbraw/zinc/47/83/52/902478352.db2.gz XQLPWWCISJQPFK-ODXCJYRJSA-N 0 3 389.379 3.529 20 5 GHBDHN CC([C@H](OC(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845878863 902482289 /nfs/dbraw/zinc/48/22/89/902482289.db2.gz WHELYBLPQYULRX-GTNSWQLSSA-N 0 3 383.322 3.919 20 5 GHBDHN COc1cccc(CO[C@H](C)C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845880541 902484060 /nfs/dbraw/zinc/48/40/60/902484060.db2.gz ZYSHZESSTSYGNL-KSMMKXTCSA-N 0 3 391.395 3.689 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845884106 902489521 /nfs/dbraw/zinc/48/95/21/902489521.db2.gz XMJVDSXDWVMPFT-VNBZBWLYSA-N 0 3 375.352 3.608 20 5 GHBDHN CC([C@@H](OC(=O)[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845884104 902489642 /nfs/dbraw/zinc/48/96/42/902489642.db2.gz XMJVDSXDWVMPFT-OAVHHTNSSA-N 0 3 375.352 3.608 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845884103 902489669 /nfs/dbraw/zinc/48/96/69/902489669.db2.gz XMJVDSXDWVMPFT-IUUKEHGRSA-N 0 3 375.352 3.608 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ccc(-n4cncn4)c(F)c3)C2)cc1 ZINC000577339627 902696714 /nfs/dbraw/zinc/69/67/14/902696714.db2.gz KDHCREYZMFFDAG-KRWDZBQOSA-N 0 3 381.411 3.694 20 5 GHBDHN COc1ccc(-c2ccc(CN3CC[C@@H](COC(F)F)C3)o2)c([N+](=O)[O-])c1 ZINC000577542728 902866927 /nfs/dbraw/zinc/86/69/27/902866927.db2.gz GETDTUIEELDQSM-GFCCVEGCSA-N 0 3 382.363 3.925 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] ZINC000152621095 904286442 /nfs/dbraw/zinc/28/64/42/904286442.db2.gz DECQMAJGCTYDAO-HUUCEWRRSA-N 0 3 381.436 3.986 20 5 GHBDHN O=c1cc(CN2CCC(N3CCCCC3=O)CC2)c2c(ccc3ccccc32)o1 ZINC000153044440 904324023 /nfs/dbraw/zinc/32/40/23/904324023.db2.gz ITFOOPNDOMOVAG-UHFFFAOYSA-N 0 3 390.483 3.923 20 5 GHBDHN Cc1cc([C@@H](N)CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)n1 ZINC000826652429 904676087 /nfs/dbraw/zinc/67/60/87/904676087.db2.gz REJNRFSHANAOMP-HNNXBMFYSA-N 0 3 397.262 3.654 20 5 GHBDHN C[C@H](N[C@@H]1CCc2ccccc2OC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000801571685 921142038 /nfs/dbraw/zinc/14/20/38/921142038.db2.gz ZNEBYUJZQOPWEL-GXTWGEPZSA-N 0 3 389.839 3.559 20 5 GHBDHN COc1cc(CN[C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])cc1OC(F)F ZINC000801576307 921144828 /nfs/dbraw/zinc/14/48/28/921144828.db2.gz YFVVSCMKPPOLDU-CQSZACIVSA-N 0 3 394.374 3.688 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904555 905929443 /nfs/dbraw/zinc/92/94/43/905929443.db2.gz OKMWTHDESHKSFM-WDSOQIARSA-N 0 3 387.480 3.536 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cc(F)cc(F)c2OC)c1F ZINC001173175061 906250333 /nfs/dbraw/zinc/25/03/33/906250333.db2.gz JUYMYMKIFUDUGY-JTQLQIEISA-N 0 3 384.354 3.750 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cc(F)cc(F)c2OC)c1F ZINC001173175062 906252178 /nfs/dbraw/zinc/25/21/78/906252178.db2.gz JUYMYMKIFUDUGY-SNVBAGLBSA-N 0 3 384.354 3.750 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1F ZINC001173176306 906253490 /nfs/dbraw/zinc/25/34/90/906253490.db2.gz HMCYWFJFOQEKLT-IAQYHMDHSA-N 0 3 378.375 3.926 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](c2cccnc2OC)C2CC2)c1F ZINC001173182316 906262526 /nfs/dbraw/zinc/26/25/26/906262526.db2.gz RWTZRLXHTGBDNO-BUXKBTBVSA-N 0 3 389.427 3.818 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001173220809 906297335 /nfs/dbraw/zinc/29/73/35/906297335.db2.gz CQVAGGIKBITGJB-HZPDHXFCSA-N 0 3 377.485 3.715 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001173227252 906309090 /nfs/dbraw/zinc/30/90/90/906309090.db2.gz OXVDLIUYTQFTQV-NSHDSACASA-N 0 3 384.358 3.807 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001173231179 906316086 /nfs/dbraw/zinc/31/60/86/906316086.db2.gz YGABMBWQUWKDBK-ZDUSSCGKSA-N 0 3 381.388 3.699 20 5 GHBDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180652542 906811573 /nfs/dbraw/zinc/81/15/73/906811573.db2.gz PCMANYSWEVWMOE-JXFKEZNVSA-N 0 3 396.447 3.534 20 5 GHBDHN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2CN(C)C)cc1OC ZINC000180866700 906865061 /nfs/dbraw/zinc/86/50/61/906865061.db2.gz CLXHQZDJZXIAIZ-UHFFFAOYSA-N 0 3 387.436 3.624 20 5 GHBDHN C[C@]1(Cc2cccs2)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001176664800 908201357 /nfs/dbraw/zinc/20/13/57/908201357.db2.gz OAMMHLIXJMTRPP-HXUWFJFHSA-N 0 3 385.489 3.643 20 5 GHBDHN C[C@H]1[C@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1C ZINC001178224304 908963629 /nfs/dbraw/zinc/96/36/29/908963629.db2.gz GPBRITRJGLEDTK-BLLLJJGKSA-N 0 3 389.839 3.863 20 5 GHBDHN CSc1ccc([C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)N(C)C)cc1 ZINC001181996377 911117390 /nfs/dbraw/zinc/11/73/90/911117390.db2.gz HYYSQKAVWCGIST-QGZVFWFLSA-N 0 3 386.477 3.850 20 5 GHBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCN(C)CC1 ZINC000291449586 915187942 /nfs/dbraw/zinc/18/79/42/915187942.db2.gz IGMXVQMDUDAZIM-UHFFFAOYSA-N 0 3 398.301 3.550 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(F)(c2ccccn2)CC1 ZINC000295133856 917161654 /nfs/dbraw/zinc/16/16/54/917161654.db2.gz CRJRSJLJGXLKDF-UHFFFAOYSA-N 0 3 386.427 3.588 20 5 GHBDHN Cc1ccc(N2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H](C)C2)cc1C ZINC001191365579 917966750 /nfs/dbraw/zinc/96/67/50/917966750.db2.gz CDGYCCFPSIWSQG-GOSISDBHSA-N 0 3 396.491 3.751 20 5 GHBDHN COc1ccccc1[C@@H]1CCCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117338749 919536961 /nfs/dbraw/zinc/53/69/61/919536961.db2.gz NTYSDMOFLAZSNL-KRWDZBQOSA-N 0 3 397.431 3.739 20 5 GHBDHN COc1ccccc1CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000117336011 919537663 /nfs/dbraw/zinc/53/76/63/919537663.db2.gz WAQPRLYIYLBYEB-UHFFFAOYSA-N 0 3 397.431 3.566 20 5 GHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccs1 ZINC000298773441 920911332 /nfs/dbraw/zinc/91/13/32/920911332.db2.gz JHROVUONRMZWJP-QGZVFWFLSA-N 0 3 388.493 3.607 20 5 GHBDHN CC(C)n1ncc2c1[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000368155364 922507026 /nfs/dbraw/zinc/50/70/26/922507026.db2.gz ZXAPHDMLDRGZEB-LJQANCHMSA-N 0 3 394.479 3.940 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([C@@H](O)c4ncc[nH]4)CC3)s2)cc1 ZINC000369145816 923150569 /nfs/dbraw/zinc/15/05/69/923150569.db2.gz SXASDUWCRWJWIW-LJQANCHMSA-N 0 3 398.488 3.992 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000411304703 926287137 /nfs/dbraw/zinc/28/71/37/926287137.db2.gz WRHPJFBFYJSULA-WMLDXEAASA-N 0 3 387.436 3.998 20 5 GHBDHN CC[C@@H](NC[C@H](O)COc1ccc(SC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000411473488 926437323 /nfs/dbraw/zinc/43/73/23/926437323.db2.gz KGRXXXGQMWHZFI-QFBILLFUSA-N 0 3 376.478 3.797 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000411760669 926742142 /nfs/dbraw/zinc/74/21/42/926742142.db2.gz XBGLXAKINICCNC-MRXNPFEDSA-N 0 3 377.828 3.554 20 5 GHBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)N(C)C)c1 ZINC000413026252 928117138 /nfs/dbraw/zinc/11/71/38/928117138.db2.gz IZEAQRULZPPVEX-OAHLLOKOSA-N 0 3 384.358 3.732 20 5 GHBDHN O=C1NCCc2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cc21 ZINC000544599959 929328722 /nfs/dbraw/zinc/32/87/22/929328722.db2.gz SUKOMXWCNNDYOM-UHFFFAOYSA-N 0 3 393.468 3.899 20 5 GHBDHN CC1(C)[C@H](C(F)(F)F)CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000470000124 930306911 /nfs/dbraw/zinc/30/69/11/930306911.db2.gz PIBUNDVDZKBKIY-CQSZACIVSA-N 0 3 387.358 3.556 20 5 GHBDHN CCCN(CCN1CCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000557579591 931556638 /nfs/dbraw/zinc/55/66/38/931556638.db2.gz DPMPVONZYQAQBA-UHFFFAOYSA-N 0 3 388.493 3.666 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000784504965 931915926 /nfs/dbraw/zinc/91/59/26/931915926.db2.gz KXZDYCSFIBFISN-CGTJXYLNSA-N 0 3 375.469 3.720 20 5 GHBDHN CC(C)(C)OC(=O)NCC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000799363083 932971665 /nfs/dbraw/zinc/97/16/65/932971665.db2.gz XXVXDTOJEISBGP-MRXNPFEDSA-N 0 3 393.484 3.600 20 5 GHBDHN COc1ccccc1C1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1 ZINC001116718748 933719320 /nfs/dbraw/zinc/71/93/20/933719320.db2.gz WSMXRKLAWLEECA-UHFFFAOYSA-N 0 3 387.411 3.740 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470824725 1016901478 /nfs/dbraw/zinc/90/14/78/1016901478.db2.gz HVUJWDSGDPKETB-VYDXJSESSA-N 0 3 392.500 3.965 20 5 GHBDHN COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001227124980 1032279793 /nfs/dbraw/zinc/27/97/93/1032279793.db2.gz UZNWZCCIEDSBNI-YRWFTTLQSA-N 0 3 396.443 3.671 20 5 GHBDHN COC(=O)c1sc([N+](=O)[O-])cc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001227541524 1032457420 /nfs/dbraw/zinc/45/74/20/1032457420.db2.gz IDCHRLURYVIRSQ-AWEZNQCLSA-N 0 3 377.330 3.632 20 5 GHBDHN COC(=O)c1sc([N+](=O)[O-])cc1OC(C(=O)c1ccco1)c1ccco1 ZINC001227541524 1032457425 /nfs/dbraw/zinc/45/74/25/1032457425.db2.gz IDCHRLURYVIRSQ-AWEZNQCLSA-N 0 3 377.330 3.632 20 5 GHBDHN COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001227544205 1032458792 /nfs/dbraw/zinc/45/87/92/1032458792.db2.gz JQYZYRABHIROAC-DZGCQCFKSA-N 0 3 390.461 3.732 20 5 GHBDHN COc1ccc(NC(=O)CCN2Cc3ccccc3OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000558174455 1017133116 /nfs/dbraw/zinc/13/31/16/1017133116.db2.gz VJXWNDSKRZEJRJ-UHFFFAOYSA-N 0 3 399.447 3.605 20 5 GHBDHN Cc1cc(CN)nn1-c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001156039446 1032852888 /nfs/dbraw/zinc/85/28/88/1032852888.db2.gz SBUPHZBFRKMQCK-UHFFFAOYSA-N 0 3 377.763 3.527 20 5 GHBDHN COc1ccc([C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])N2CCCC2)cc1 ZINC001161947494 1025508588 /nfs/dbraw/zinc/50/85/88/1025508588.db2.gz HPJDPRMIUSCDAU-FQEVSTJZSA-N 0 3 392.459 3.823 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1OCc1ccccc1 ZINC001164190674 1026445459 /nfs/dbraw/zinc/44/54/59/1026445459.db2.gz JCGPIPXIUMHHNH-LJQANCHMSA-N 0 3 390.443 3.720 20 5 GHBDHN CCOC(=O)c1cc(Nc2cccc3c2OCC[C@@H]3N(C)C)cc([N+](=O)[O-])c1 ZINC001211375375 1027928299 /nfs/dbraw/zinc/92/82/99/1027928299.db2.gz DMNOJJIDNVQWRV-SFHVURJKSA-N 0 3 385.420 3.900 20 5 GHBDHN C[C@@H](C(=O)N(CCN(C)C)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001142307210 1028651743 /nfs/dbraw/zinc/65/17/43/1028651743.db2.gz TYHYZKMXTHRZBN-OAHLLOKOSA-N 0 3 379.476 3.808 20 5 GHBDHN Cc1c([N+](=O)[O-])cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1[N+](=O)[O-] ZINC001216650178 1029716547 /nfs/dbraw/zinc/71/65/47/1029716547.db2.gz QNKMNNYTOPUHCQ-UHFFFAOYSA-N 0 3 383.364 3.590 20 5 GHBDHN COC(=O)c1ccc(CO[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223413329 1030565382 /nfs/dbraw/zinc/56/53/82/1030565382.db2.gz KWGNRRRRAVTFJF-IBGZPJMESA-N 0 3 384.432 3.563 20 5 GHBDHN N[C@]1(C(=O)Nc2cc3cccnc3c3ncccc23)CCc2cc(F)ccc2C1 ZINC001218979838 1031192486 /nfs/dbraw/zinc/19/24/86/1031192486.db2.gz ILTOYIBMWYPJIW-HSZRJFAPSA-N 0 3 386.430 3.747 20 5 GHBDHN C[C@@H](Oc1ccc(C(=O)CCN(C)C)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229305828 1033407618 /nfs/dbraw/zinc/40/76/18/1033407618.db2.gz FCWYGAABHMSTRW-CYBMUJFWSA-N 0 3 386.404 3.598 20 5 GHBDHN O=[N+]([O-])c1cc2cccnc2c(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001229344190 1033427749 /nfs/dbraw/zinc/42/77/49/1033427749.db2.gz RYQSVSTYLDSTSI-HXUWFJFHSA-N 0 3 393.443 3.813 20 5 GHBDHN O=[N+]([O-])c1ncc(Br)cc1OC1CCN(Cc2ccccc2)CC1 ZINC001229561861 1033559213 /nfs/dbraw/zinc/55/92/13/1033559213.db2.gz BDYBTBFFFHOTHF-UHFFFAOYSA-N 0 3 392.253 3.796 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1cc(Br)cnc1[N+](=O)[O-] ZINC001229564339 1033560492 /nfs/dbraw/zinc/56/04/92/1033560492.db2.gz WRFDWECHKXIICF-LRDDRELGSA-N 0 3 392.253 3.652 20 5 GHBDHN C[C@@H](N)c1ccn(-c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])n1 ZINC001158357214 1034042107 /nfs/dbraw/zinc/04/21/07/1034042107.db2.gz XUTCDSZYXSSOCQ-CQSZACIVSA-N 0 3 389.415 3.927 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001461971337 1069922897 /nfs/dbraw/zinc/92/28/97/1069922897.db2.gz SJEMBBOFQZFESZ-INIZCTEOSA-N 0 3 377.485 3.948 20 5 GHBDHN CCOc1cc(N2CCN(CC3(OC)CCCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001462185151 1070064766 /nfs/dbraw/zinc/06/47/66/1070064766.db2.gz IPWPSMIICVKRQU-UHFFFAOYSA-N 0 3 391.512 3.855 20 5 GHBDHN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001233988060 1039745493 /nfs/dbraw/zinc/74/54/93/1039745493.db2.gz UAMJDYRHUYWEEE-NPHXMPSESA-N 0 3 396.487 3.804 20 5 GHBDHN COc1cccc(Cn2cnc(CN[C@H](C)Cc3ccccc3[N+](=O)[O-])c2)c1 ZINC001254542717 1040312023 /nfs/dbraw/zinc/31/20/23/1040312023.db2.gz AFJVCHNIBHDKLK-MRXNPFEDSA-N 0 3 380.448 3.569 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001254552508 1040321280 /nfs/dbraw/zinc/32/12/80/1040321280.db2.gz MTIMAZNELUUNTN-WDYCEAGBSA-N 0 3 389.496 3.857 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001254562372 1040335862 /nfs/dbraw/zinc/33/58/62/1040335862.db2.gz LAUKZKPUYPOQRL-LLVKDONJSA-N 0 3 384.358 3.807 20 5 GHBDHN C[C@@H](N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)Nc1ccc2ccccc2c1 ZINC001254579871 1040355495 /nfs/dbraw/zinc/35/54/95/1040355495.db2.gz WMTIZFNGAJBPKG-VLIAUNLRSA-N 0 3 375.428 3.832 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@H]4CN5CCC4CC5)no3)cs2)cc1 ZINC001254850211 1040594540 /nfs/dbraw/zinc/59/45/40/1040594540.db2.gz KJJQAHYERZIUIG-AWEZNQCLSA-N 0 3 383.433 3.578 20 5 GHBDHN CC[C@]1(C(=O)OC(C)(C)C)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001308121383 1049864706 /nfs/dbraw/zinc/86/47/06/1049864706.db2.gz LFOMSPHJVRLXLZ-FQEVSTJZSA-N 0 3 378.469 3.808 20 5 GHBDHN CCc1ccc2c(c1)[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC001308667442 1050053578 /nfs/dbraw/zinc/05/35/78/1050053578.db2.gz IJHGAWHCELISQY-AUUYWEPGSA-N 0 3 383.448 3.988 20 5 GHBDHN Cc1ccc(C[C@H](CO)NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC001308804707 1050101180 /nfs/dbraw/zinc/10/11/80/1050101180.db2.gz UREHWMQFRCTIIG-QGZVFWFLSA-N 0 3 382.382 3.924 20 5 GHBDHN CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001308895226 1050144891 /nfs/dbraw/zinc/14/48/91/1050144891.db2.gz XFTBPSASHFDXQP-MRXNPFEDSA-N 0 3 383.448 3.912 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001319897341 1055528707 /nfs/dbraw/zinc/52/87/07/1055528707.db2.gz ZRRKBMKBWSQYNM-LPHOPBHVSA-N 0 3 397.475 3.949 20 5 GHBDHN CN(C)CCN(CCc1ccccc1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001464290230 1064943956 /nfs/dbraw/zinc/94/39/56/1064943956.db2.gz DTHKZLONNCUBIH-UHFFFAOYSA-N 0 3 393.846 3.634 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC001466116728 1065987902 /nfs/dbraw/zinc/98/79/02/1065987902.db2.gz JCLKEIYHHJKZAG-SFHVURJKSA-N 0 3 386.452 3.645 20 5 GHBDHN COc1ccc(CN[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC001200411995 1066131379 /nfs/dbraw/zinc/13/13/79/1066131379.db2.gz KQXSTYKGIZRVJO-OAHLLOKOSA-N 0 3 381.473 3.632 20 5 GHBDHN CCc1ccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC001468581096 1067779020 /nfs/dbraw/zinc/77/90/20/1067779020.db2.gz XPSFOZOEKCSBOC-OAQYLSRUSA-N 0 3 399.491 3.977 20 5 GHBDHN CCC1CCC(N(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C2CC2)CC1 ZINC001473112182 1073784889 /nfs/dbraw/zinc/78/48/89/1073784889.db2.gz MCHIWRNLJDSYGG-UHFFFAOYSA-N 0 3 375.469 3.975 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H](C(C)C)C(C)(C)O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001473456510 1073973822 /nfs/dbraw/zinc/97/38/22/1073973822.db2.gz DJYVDEULWSQJRJ-UXHICEINSA-N 0 3 399.491 3.968 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001473530197 1074004681 /nfs/dbraw/zinc/00/46/81/1074004681.db2.gz HEPNIODAIPZDLT-RXVVDRJESA-N 0 3 382.460 3.952 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001473709397 1074100319 /nfs/dbraw/zinc/10/03/19/1074100319.db2.gz UCSRLWNOJLVFNQ-MRXNPFEDSA-N 0 3 393.484 3.743 20 5 GHBDHN COc1ccc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CCN2)cc1 ZINC001473728778 1074112024 /nfs/dbraw/zinc/11/20/24/1074112024.db2.gz HOJPHUZVGLLZQC-SFHVURJKSA-N 0 3 395.381 3.769 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@@H]2COc3ccccc3O2)c1 ZINC001474184930 1074286190 /nfs/dbraw/zinc/28/61/90/1074286190.db2.gz ZHSVCMVLMRIZJV-CQSZACIVSA-N 0 3 380.347 3.516 20 5 GHBDHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC001656294738 1126257467 /nfs/dbraw/zinc/25/74/67/1126257467.db2.gz YXIRMXQKAQBYFN-KRWDZBQOSA-N 0 3 397.244 3.580 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001267591172 837503450 /nfs/dbraw/zinc/50/34/50/837503450.db2.gz MCTNGJPOZVMRRN-VQIMIIECSA-N 0 3 397.475 3.632 20 5 GHBDHN NC(=O)c1cccc(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180847128 837590442 /nfs/dbraw/zinc/59/04/42/837590442.db2.gz TUPKYZBHTOPIGW-OAQYLSRUSA-N 0 3 375.428 3.615 20 5 GHBDHN Cc1ccoc1C(=O)NCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180911184 837679486 /nfs/dbraw/zinc/67/94/86/837679486.db2.gz ZVGTYHBYQSVPGF-HXUWFJFHSA-N 0 3 393.443 3.995 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000583584130 834692838 /nfs/dbraw/zinc/69/28/38/834692838.db2.gz BGRUHUIVEVDSMK-DCGLDWPTSA-N 0 3 377.416 3.676 20 5 GHBDHN Cc1c(-c2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)cccc1[N+](=O)[O-] ZINC000583735104 834950151 /nfs/dbraw/zinc/95/01/51/834950151.db2.gz SZBVIEYPTQOCBV-INIZCTEOSA-N 0 3 379.420 3.728 20 5 GHBDHN CSc1cccc(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188206954 835470611 /nfs/dbraw/zinc/47/06/11/835470611.db2.gz RPRHQHWWYZPUSN-HOCLYGCPSA-N 0 3 385.489 3.710 20 5 GHBDHN CSc1cccc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188206982 835470631 /nfs/dbraw/zinc/47/06/31/835470631.db2.gz RPRHQHWWYZPUSN-GDBMZVCRSA-N 0 3 385.489 3.710 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000500856452 844063234 /nfs/dbraw/zinc/06/32/34/844063234.db2.gz CLYRWSZDDKYKDY-UHFFFAOYSA-N 0 3 396.491 3.653 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000154405950 835652911 /nfs/dbraw/zinc/65/29/11/835652911.db2.gz LNCXSCKWDAJRJJ-UHFFFAOYSA-N 0 3 397.475 3.668 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000579870617 835785697 /nfs/dbraw/zinc/78/56/97/835785697.db2.gz AEUOCPVGILBMCF-UHFFFAOYSA-N 0 3 398.301 3.695 20 5 GHBDHN CCC[C@H](N[C@H](C)Cn1ncc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000179513472 835849494 /nfs/dbraw/zinc/84/94/94/835849494.db2.gz DGXQOUHVOMMIQK-QRWLVFNGSA-N 0 3 380.448 3.824 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1cccc(F)c1 ZINC000411181588 836080901 /nfs/dbraw/zinc/08/09/01/836080901.db2.gz UMYLINBKHJOMJZ-SFHVURJKSA-N 0 3 387.411 3.908 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000290152895 836162259 /nfs/dbraw/zinc/16/22/59/836162259.db2.gz NSBKVESXCBCRPJ-NRFANRHFSA-N 0 3 395.459 3.526 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000065936590 836251301 /nfs/dbraw/zinc/25/13/01/836251301.db2.gz HAFWHBWBTHBLRT-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000411762137 836338216 /nfs/dbraw/zinc/33/82/16/836338216.db2.gz YRIARSVPLWWJSJ-KRWDZBQOSA-N 0 3 377.828 3.554 20 5 GHBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000431684879 836792599 /nfs/dbraw/zinc/79/25/99/836792599.db2.gz HXKBZFQGOUNEOT-RXVVDRJESA-N 0 3 396.447 3.825 20 5 GHBDHN O=C(CCN1CCc2ccccc2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000416176898 838669729 /nfs/dbraw/zinc/66/97/29/838669729.db2.gz HDSIVDUCROHYIA-UHFFFAOYSA-N 0 3 379.460 3.534 20 5 GHBDHN COc1ccc(OCCN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000104662770 838834843 /nfs/dbraw/zinc/83/48/43/838834843.db2.gz KZTWUVLGMZZBJZ-UHFFFAOYSA-N 0 3 397.431 3.812 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)o1 ZINC000363843404 839212878 /nfs/dbraw/zinc/21/28/78/839212878.db2.gz GAEVHPMPRZQTEN-INIZCTEOSA-N 0 3 386.448 3.872 20 5 GHBDHN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)CNC2 ZINC000580314541 839251326 /nfs/dbraw/zinc/25/13/26/839251326.db2.gz YIDMNXWQEQYOBG-UHFFFAOYSA-N 0 3 394.353 3.658 20 5 GHBDHN CN(C)C[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccc(Cl)cc1 ZINC000549242434 839502917 /nfs/dbraw/zinc/50/29/17/839502917.db2.gz XVRYOHBOPWUXOG-INIZCTEOSA-N 0 3 386.839 3.762 20 5 GHBDHN COc1ccc(CN(C)[C@@H]2CCCOC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580603085 839876514 /nfs/dbraw/zinc/87/65/14/839876514.db2.gz VHAAAHKQEZUPDP-LJQANCHMSA-N 0 3 386.448 3.793 20 5 GHBDHN Cc1ccc(C)c2c1CCC[C@@H]2NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000471603264 839924756 /nfs/dbraw/zinc/92/47/56/839924756.db2.gz RVUNCUSIDFXGHU-IBGZPJMESA-N 0 3 388.489 3.653 20 5 GHBDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000477012534 840681983 /nfs/dbraw/zinc/68/19/83/840681983.db2.gz SMBSURQDAURHAU-QWHCGFSZSA-N 0 3 375.856 3.971 20 5 GHBDHN CS(=O)(=O)Cc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417306441 840701810 /nfs/dbraw/zinc/70/18/10/840701810.db2.gz AGNSEGOKKKIEBM-FQEVSTJZSA-N 0 3 388.489 3.697 20 5 GHBDHN CS(=O)(=O)Cc1ccccc1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312633 840710519 /nfs/dbraw/zinc/71/05/19/840710519.db2.gz NYWYWERHXQIFQA-HXUWFJFHSA-N 0 3 388.489 3.697 20 5 GHBDHN C[C@H]1CN(c2ccc(CN[C@H]3CCCCc4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000417320410 840719524 /nfs/dbraw/zinc/71/95/24/840719524.db2.gz JQANHQCMMKGWOC-KKSFZXQISA-N 0 3 396.491 3.772 20 5 GHBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432135087 840816526 /nfs/dbraw/zinc/81/65/26/840816526.db2.gz XPQZBUCOWJTIMT-KKSFZXQISA-N 0 3 377.448 3.667 20 5 GHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048299633 840909450 /nfs/dbraw/zinc/90/94/50/840909450.db2.gz SREQQIPIHWFAMV-IBGZPJMESA-N 0 3 378.432 3.643 20 5 GHBDHN CN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000600178196 861194080 /nfs/dbraw/zinc/19/40/80/861194080.db2.gz GWIFUWLAAPDKLC-LJQANCHMSA-N 0 3 392.839 3.624 20 5 GHBDHN O=C1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCN1CC(F)(F)F ZINC000112100976 842193101 /nfs/dbraw/zinc/19/31/01/842193101.db2.gz MMQYHTQDTXAPMZ-ZDUSSCGKSA-N 0 3 399.394 3.576 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512111287 842532058 /nfs/dbraw/zinc/53/20/58/842532058.db2.gz GHSCHRFKYYVXSG-YLJYHZDGSA-N 0 3 396.491 3.614 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000581903993 842568065 /nfs/dbraw/zinc/56/80/65/842568065.db2.gz WCRAFOCACVVXDZ-RISCZKNCSA-N 0 3 397.378 3.648 20 5 GHBDHN CCc1oc2ccccc2c1CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610556455 842587127 /nfs/dbraw/zinc/58/71/27/842587127.db2.gz FLSVUFVMGBMJNC-INIZCTEOSA-N 0 3 384.432 3.775 20 5 GHBDHN O=C(N1CCCC1)N1CCC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000512865854 843898261 /nfs/dbraw/zinc/89/82/61/843898261.db2.gz VZEZSVVZTQIFFM-KRWDZBQOSA-N 0 3 398.463 3.625 20 5 GHBDHN CCOc1ccc2c(c1)[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000614160809 844794550 /nfs/dbraw/zinc/79/45/50/844794550.db2.gz HTUMBEATWIWGNB-AUUYWEPGSA-N 0 3 399.447 3.824 20 5 GHBDHN CCOc1ccc2c(c1)[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000614160810 844794628 /nfs/dbraw/zinc/79/46/28/844794628.db2.gz HTUMBEATWIWGNB-IFXJQAMLSA-N 0 3 399.447 3.824 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(NCC3(N4CCSCC4)CCCC3)sc2c1 ZINC000731208772 861513302 /nfs/dbraw/zinc/51/33/02/861513302.db2.gz KXDGWJKMZICRGQ-UHFFFAOYSA-N 0 3 378.523 3.978 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000119481219 845380561 /nfs/dbraw/zinc/38/05/61/845380561.db2.gz HUWFBJKGRSZZBS-XLIONFOSSA-N 0 3 381.476 3.788 20 5 GHBDHN C[C@H](c1ccncc1)N1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611711296 848145158 /nfs/dbraw/zinc/14/51/58/848145158.db2.gz JQYAAVKEKVEZCW-CQSZACIVSA-N 0 3 378.436 3.571 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000481703528 862079913 /nfs/dbraw/zinc/07/99/13/862079913.db2.gz LABWUSGQUOBJSU-JOCHJYFZSA-N 0 3 395.459 3.753 20 5 GHBDHN Cc1ccc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000504737328 850264622 /nfs/dbraw/zinc/26/46/22/850264622.db2.gz KYNQLMVIMSROSH-UHFFFAOYSA-N 0 3 382.464 3.862 20 5 GHBDHN COc1ccc2c(c1)CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000439771287 850398361 /nfs/dbraw/zinc/39/83/61/850398361.db2.gz SAKJRNWHSJVKRJ-UHFFFAOYSA-N 0 3 392.459 3.605 20 5 GHBDHN CC(C)(C)Oc1cc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000487076522 850428308 /nfs/dbraw/zinc/42/83/08/850428308.db2.gz SFYGSOGIRPCLLZ-MOPGFXCFSA-N 0 3 399.491 3.819 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000514987077 850577887 /nfs/dbraw/zinc/57/78/87/850577887.db2.gz SHFQDBCGRNEVIH-KBXCAEBGSA-N 0 3 375.494 3.959 20 5 GHBDHN O=C(C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC000515299238 850888038 /nfs/dbraw/zinc/88/80/38/850888038.db2.gz AVFWOKSBPKRILX-KRWDZBQOSA-N 0 3 385.439 3.652 20 5 GHBDHN CC(C)(NC(=O)N[C@H](CN1CCCC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000487800612 850925196 /nfs/dbraw/zinc/92/51/96/850925196.db2.gz LXLNHYGDZLBWPN-LJQANCHMSA-N 0 3 396.491 3.966 20 5 GHBDHN CC(C)N1CCC(N(C)C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000435943115 851016175 /nfs/dbraw/zinc/01/61/75/851016175.db2.gz YKRATLSGPRWZON-UHFFFAOYSA-N 0 3 395.478 3.765 20 5 GHBDHN CN1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000425443239 851095734 /nfs/dbraw/zinc/09/57/34/851095734.db2.gz LIEUMRUULCNXPL-WMZOPIPTSA-N 0 3 390.281 3.892 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000488054086 851125865 /nfs/dbraw/zinc/12/58/65/851125865.db2.gz PRZKQLUSXBLWLX-AEFFLSMTSA-N 0 3 396.491 3.965 20 5 GHBDHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000434510959 851191530 /nfs/dbraw/zinc/19/15/30/851191530.db2.gz OQSCNGCKXXYVTG-CQSZACIVSA-N 0 3 394.928 3.967 20 5 GHBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436136527 851247470 /nfs/dbraw/zinc/24/74/70/851247470.db2.gz HPYXMCSVEAWRMX-HOTGVXAUSA-N 0 3 377.488 3.532 20 5 GHBDHN C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000732414553 862280746 /nfs/dbraw/zinc/28/07/46/862280746.db2.gz QQLCIHLFICEQJR-CYBMUJFWSA-N 0 3 376.844 3.890 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000488837289 851809459 /nfs/dbraw/zinc/80/94/59/851809459.db2.gz KPUNPAVZTHUFRQ-UHFFFAOYSA-N 0 3 396.491 3.994 20 5 GHBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000029177651 852583371 /nfs/dbraw/zinc/58/33/71/852583371.db2.gz XGYCWITXPSPWCQ-IBGZPJMESA-N 0 3 385.489 3.640 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000509585706 853016255 /nfs/dbraw/zinc/01/62/55/853016255.db2.gz OGAYURPCGYRRSA-YJBOKZPZSA-N 0 3 388.468 3.501 20 5 GHBDHN CSc1ccc(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000507639563 853119175 /nfs/dbraw/zinc/11/91/75/853119175.db2.gz WJUFPIAFIUZLOT-RHSMWYFYSA-N 0 3 385.489 3.882 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CCCN1C ZINC000441301593 854069192 /nfs/dbraw/zinc/06/91/92/854069192.db2.gz HQIHWLSXYQYASA-GDBMZVCRSA-N 0 3 385.489 3.959 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000553487305 855078361 /nfs/dbraw/zinc/07/83/61/855078361.db2.gz SGMZLBVMZJLZAM-UHFFFAOYSA-N 0 3 387.402 3.952 20 5 GHBDHN CN1CCC(N(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000591278399 855881155 /nfs/dbraw/zinc/88/11/55/855881155.db2.gz QEEVHBYDPGFIPQ-LEWJYISDSA-N 0 3 379.460 3.826 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCC[C@H]3O)o2)c(Br)c1 ZINC000172632965 856508792 /nfs/dbraw/zinc/50/87/92/856508792.db2.gz SLZRYSLXZGKIFG-HUUCEWRRSA-N 0 3 381.226 3.620 20 5 GHBDHN CCNC(=O)C(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120976871 857134848 /nfs/dbraw/zinc/13/48/48/857134848.db2.gz MXIHRFMLLFIFFK-UHFFFAOYSA-N 0 3 379.844 3.760 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000843779691 857327005 /nfs/dbraw/zinc/32/70/05/857327005.db2.gz SHYBERHCKFEIKH-IBGZPJMESA-N 0 3 385.439 3.918 20 5 GHBDHN CN(C)C[C@@H](Cc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113325751 857429264 /nfs/dbraw/zinc/42/92/64/857429264.db2.gz UFNIUXRGKHTLGU-GOSISDBHSA-N 0 3 396.516 3.981 20 5 GHBDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000486474323 857768613 /nfs/dbraw/zinc/76/86/13/857768613.db2.gz VOVYRVUWWCPMRV-INIZCTEOSA-N 0 3 396.491 3.609 20 5 GHBDHN C[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249966143 857793557 /nfs/dbraw/zinc/79/35/57/857793557.db2.gz KBLDOJDBKBNJHP-HRAATJIYSA-N 0 3 392.459 3.650 20 5 GHBDHN CCN(CC)[C@@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])c1ccco1 ZINC000078878117 858285084 /nfs/dbraw/zinc/28/50/84/858285084.db2.gz IFVGRFQGLZVVMX-SFHVURJKSA-N 0 3 388.468 3.821 20 5 GHBDHN COc1cc(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)c([N+](=O)[O-])cc1[O-] ZINC000594957384 858345020 /nfs/dbraw/zinc/34/50/20/858345020.db2.gz ZVWSYTNDHHXDDJ-CYBMUJFWSA-N 0 3 391.855 3.579 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000595050990 858379951 /nfs/dbraw/zinc/37/99/51/858379951.db2.gz WINCQXUOHHZZOK-FXAWDEMLSA-N 0 3 399.491 3.545 20 5 GHBDHN CC1(C)C[C@@H](NCC2(S(C)(=O)=O)CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000595076158 858412093 /nfs/dbraw/zinc/41/20/93/858412093.db2.gz FSYZGNPXSDRLFJ-QGZVFWFLSA-N 0 3 380.510 3.654 20 5 GHBDHN CS(=O)(=O)C1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000595078023 858412133 /nfs/dbraw/zinc/41/21/33/858412133.db2.gz SBPCWZJNOQNERD-SFHVURJKSA-N 0 3 380.510 3.699 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc(F)ccc2OC(F)F)n1 ZINC000595092965 858418041 /nfs/dbraw/zinc/41/80/41/858418041.db2.gz BXGNGHHSJVZTAY-ZIAGYGMSSA-N 0 3 384.358 3.805 20 5 GHBDHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595257012 858456095 /nfs/dbraw/zinc/45/60/95/858456095.db2.gz GWZMFOGIYFLCCF-INIZCTEOSA-N 0 3 395.337 3.527 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000595778965 858684932 /nfs/dbraw/zinc/68/49/32/858684932.db2.gz WQEFGEHBQHSUID-SJORKVTESA-N 0 3 375.469 3.558 20 5 GHBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)N(C)C)cc1OC ZINC000499673944 858700116 /nfs/dbraw/zinc/70/01/16/858700116.db2.gz XENWYDLQDPHKKX-GOSISDBHSA-N 0 3 396.447 3.875 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC(O)(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170330061 881369472 /nfs/dbraw/zinc/36/94/72/881369472.db2.gz XNFKTBKIGYGZGH-QGZVFWFLSA-N 0 3 384.476 3.604 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(O[C@H]4CCOC4)cc3)CC2)cc1 ZINC000597011845 859224200 /nfs/dbraw/zinc/22/42/00/859224200.db2.gz FWLGKYLXRLQFEQ-QFIPXVFZSA-N 0 3 398.459 3.806 20 5 GHBDHN O=C(CN(CC1CC1)C1CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000483289051 859273615 /nfs/dbraw/zinc/27/36/15/859273615.db2.gz LHKXOFQEDYOJGK-UHFFFAOYSA-N 0 3 386.477 3.921 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](CO)CC3CCCC3)cs2)c1 ZINC000466424740 859449023 /nfs/dbraw/zinc/44/90/23/859449023.db2.gz XOEHZCXTLFXXAF-HNNXBMFYSA-N 0 3 375.494 3.997 20 5 GHBDHN Cc1ccc(CN2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560570 881440613 /nfs/dbraw/zinc/44/06/13/881440613.db2.gz IYEQYRSATPTDMQ-NRFANRHFSA-N 0 3 398.507 3.792 20 5 GHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765026804 859750878 /nfs/dbraw/zinc/75/08/78/859750878.db2.gz KUESDKALNRAKLO-MGPUTAFESA-N 0 3 375.469 3.989 20 5 GHBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000765238474 859859769 /nfs/dbraw/zinc/85/97/69/859859769.db2.gz DEYBMNPOMOQFNS-ZGAMTSKGSA-N 0 3 379.460 3.635 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000765238464 859860033 /nfs/dbraw/zinc/86/00/33/859860033.db2.gz DEYBMNPOMOQFNS-UGZQKDQTSA-N 0 3 379.460 3.635 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H](c2ccc(C)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000474352843 859910466 /nfs/dbraw/zinc/91/04/66/859910466.db2.gz IHDYVVRPDJIRJE-OAQYLSRUSA-N 0 3 384.432 3.696 20 5 GHBDHN C[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000555232089 860265129 /nfs/dbraw/zinc/26/51/29/860265129.db2.gz PJVRCUPIZVBHAT-KZULUSFZSA-N 0 3 393.846 3.910 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093684868 860331756 /nfs/dbraw/zinc/33/17/56/860331756.db2.gz USBXABDALIMGDY-CDVVCGDMSA-N 0 3 399.413 3.731 20 5 GHBDHN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000568684690 860506979 /nfs/dbraw/zinc/50/69/79/860506979.db2.gz YTQKOILKMSYOKH-APWZRJJASA-N 0 3 385.855 3.660 20 5 GHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000124846197 860514269 /nfs/dbraw/zinc/51/42/69/860514269.db2.gz GWDYEBIKJIHOOW-NRFANRHFSA-N 0 3 392.459 3.572 20 5 GHBDHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000599186944 860891555 /nfs/dbraw/zinc/89/15/55/860891555.db2.gz LHZMPTYFZYDJQL-UHFFFAOYSA-N 0 3 387.402 3.695 20 5 GHBDHN Cn1c(=O)ccc2c1CCC[C@@H]2NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593694176 860907139 /nfs/dbraw/zinc/90/71/39/860907139.db2.gz JIOZFIJUEFEOHC-SFHVURJKSA-N 0 3 379.416 3.721 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000554236276 863928572 /nfs/dbraw/zinc/92/85/72/863928572.db2.gz DAUICCWSPIOCCC-SFHVURJKSA-N 0 3 390.867 3.695 20 5 GHBDHN CSc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000186060275 864228229 /nfs/dbraw/zinc/22/82/29/864228229.db2.gz MWAGCUUVABNRHT-UHFFFAOYSA-N 0 3 385.489 3.711 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1 ZINC000554875214 865075517 /nfs/dbraw/zinc/07/55/17/865075517.db2.gz VPJXEQWGTVYYBM-MRXNPFEDSA-N 0 3 381.432 3.618 20 5 GHBDHN CC[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2ccccc2C1 ZINC000063768885 865325794 /nfs/dbraw/zinc/32/57/94/865325794.db2.gz YAYUFJPDJRPUNB-KRWDZBQOSA-N 0 3 392.459 3.643 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195123 865342121 /nfs/dbraw/zinc/34/21/21/865342121.db2.gz CFEVLAHXINLBEU-IAGOWNOFSA-N 0 3 377.510 3.842 20 5 GHBDHN Cc1c(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000478785021 866666076 /nfs/dbraw/zinc/66/60/76/866666076.db2.gz PDJQEZAGFWSPFW-LJQANCHMSA-N 0 3 382.464 3.540 20 5 GHBDHN C[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000523705098 867781971 /nfs/dbraw/zinc/78/19/71/867781971.db2.gz AIFIBUJVDMFFOG-JXFKEZNVSA-N 0 3 382.464 3.620 20 5 GHBDHN COC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000540168505 870652152 /nfs/dbraw/zinc/65/21/52/870652152.db2.gz KTJPFQIZOHLHMG-KRWDZBQOSA-N 0 3 384.354 3.970 20 5 GHBDHN C[C@@H](C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617736197 870839185 /nfs/dbraw/zinc/83/91/85/870839185.db2.gz MTBKZXAQRWDHFH-ZWKOTPCHSA-N 0 3 381.476 3.821 20 5 GHBDHN COc1ccc(OCCN(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000441188869 870933221 /nfs/dbraw/zinc/93/32/21/870933221.db2.gz MGERAFGZHVBINM-UHFFFAOYSA-N 0 3 395.253 3.877 20 5 GHBDHN Cc1c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000539069138 871249616 /nfs/dbraw/zinc/24/96/16/871249616.db2.gz PIZXCRCGGBDEJB-AWEZNQCLSA-N 0 3 384.411 3.958 20 5 GHBDHN Cc1ccc([C@H](C)NCCCS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000540476306 871355311 /nfs/dbraw/zinc/35/53/11/871355311.db2.gz DGTBQHGTARHHLR-AWEZNQCLSA-N 0 3 380.441 3.557 20 5 GHBDHN CCOc1ccc(NC(=O)CNC2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 ZINC000539290246 871645559 /nfs/dbraw/zinc/64/55/59/871645559.db2.gz WXRSSDKEHYAOQZ-UHFFFAOYSA-N 0 3 383.448 3.991 20 5 GHBDHN Cn1c(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc2cccc(Cl)c21 ZINC000447594423 871904405 /nfs/dbraw/zinc/90/44/05/871904405.db2.gz YTPMQLWGFXZHNT-HIFRSBDPSA-N 0 3 388.859 3.605 20 5 GHBDHN CC(C)(C)OC(=O)N[C@H]1CCCCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001196848797 873405621 /nfs/dbraw/zinc/40/56/21/873405621.db2.gz CIGHLLOIACWGFP-INIZCTEOSA-N 0 3 393.484 3.743 20 5 GHBDHN O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000921275005 882796941 /nfs/dbraw/zinc/79/69/41/882796941.db2.gz ZMUNFBMOPYWQKO-IBGZPJMESA-N 0 3 384.505 3.936 20 5 GHBDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541780331 874251812 /nfs/dbraw/zinc/25/18/12/874251812.db2.gz IZNDEQIPBNEDQM-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN CCOC(=O)N1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000769939757 874377670 /nfs/dbraw/zinc/37/76/70/874377670.db2.gz RYAAWGRMIUAQBL-GFCCVEGCSA-N 0 3 393.827 3.829 20 5 GHBDHN C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000464888635 874721713 /nfs/dbraw/zinc/72/17/13/874721713.db2.gz CBGQBZWMGMTWEJ-SFHVURJKSA-N 0 3 395.503 3.995 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H]2COc2ccc(Cl)cc2)cc1 ZINC000776273780 876135961 /nfs/dbraw/zinc/13/59/61/876135961.db2.gz AKHWZTQENQFNLO-MJGOQNOKSA-N 0 3 376.840 3.825 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000776275300 876143903 /nfs/dbraw/zinc/14/39/03/876143903.db2.gz CRFIXCASYPYTGO-YJBOKZPZSA-N 0 3 387.505 3.843 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000776275297 876143993 /nfs/dbraw/zinc/14/39/93/876143993.db2.gz CRFIXCASYPYTGO-CRAIPNDOSA-N 0 3 387.505 3.843 20 5 GHBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000151989958 876412792 /nfs/dbraw/zinc/41/27/92/876412792.db2.gz PCHISHVFJWUBQE-UHFFFAOYSA-N 0 3 384.480 3.619 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000450784261 876886566 /nfs/dbraw/zinc/88/65/66/876886566.db2.gz HXEHNYBPPKTRRR-UHFFFAOYSA-N 0 3 386.427 3.769 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000450790613 876895286 /nfs/dbraw/zinc/89/52/86/876895286.db2.gz YXQRCARHJJQOSX-UHFFFAOYSA-N 0 3 386.427 3.769 20 5 GHBDHN O=[N+]([O-])c1cnc(NC2CCN(CCOc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000443946897 876939792 /nfs/dbraw/zinc/93/97/92/876939792.db2.gz ZVFXGHKTDLUKAL-UHFFFAOYSA-N 0 3 394.834 3.738 20 5 GHBDHN CC(C)(C(=O)OCC1CCN(Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000772693309 877072410 /nfs/dbraw/zinc/07/24/10/877072410.db2.gz LMINMXLFPDERQR-UHFFFAOYSA-N 0 3 386.448 3.921 20 5 GHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N(CCN1CCCC1)c1ccccc1 ZINC000610052669 877334732 /nfs/dbraw/zinc/33/47/32/877334732.db2.gz NMLBFHRHUZYBFN-UHFFFAOYSA-N 0 3 392.459 3.679 20 5 GHBDHN CC([C@@H](OC(=O)CC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1F)[N+](=O)[O-] ZINC000851109268 877415862 /nfs/dbraw/zinc/41/58/62/877415862.db2.gz WNAYMPOQCVGRJF-BLLLJJGKSA-N 0 3 396.415 3.523 20 5 GHBDHN CC(C)[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](CO)C(C)C ZINC000451599239 878227839 /nfs/dbraw/zinc/22/78/39/878227839.db2.gz PVCJEFLCIUYAHP-RRQGHBQHSA-N 0 3 376.457 3.585 20 5 GHBDHN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000761528021 879234015 /nfs/dbraw/zinc/23/40/15/879234015.db2.gz XGJQCYAWIWWCET-YWZLYKJASA-N 0 3 389.883 3.627 20 5 GHBDHN CC(=O)N1CC[C@@H](NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000152916254 879932968 /nfs/dbraw/zinc/93/29/68/879932968.db2.gz JHNUOEUGBWVNKA-QGZVFWFLSA-N 0 3 385.489 3.765 20 5 GHBDHN CC(C)(C)CN(CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)CC(C)(C)C ZINC000774641448 912592502 /nfs/dbraw/zinc/59/25/02/912592502.db2.gz BZKDCMDLZGZINB-UHFFFAOYSA-N 0 3 390.484 3.715 20 5 GHBDHN CN(CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000103494708 881222446 /nfs/dbraw/zinc/22/24/46/881222446.db2.gz YDJIUGPGSYOAJI-UHFFFAOYSA-N 0 3 393.484 3.553 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000152987528 881287088 /nfs/dbraw/zinc/28/70/88/881287088.db2.gz WXWRJCRICPTKKR-KGLIPLIRSA-N 0 3 377.510 3.698 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000609707558 883563196 /nfs/dbraw/zinc/56/31/96/883563196.db2.gz CUKQODIGMQTSNR-ZQMLZLLSSA-N 0 3 380.366 3.732 20 5 GHBDHN CN(C)C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000859845592 884118509 /nfs/dbraw/zinc/11/85/09/884118509.db2.gz YNMVGQQDRMWQHT-MSOLQXFVSA-N 0 3 398.290 3.828 20 5 GHBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000494966518 884302194 /nfs/dbraw/zinc/30/21/94/884302194.db2.gz WFMGRZOAIIKBLL-LJQANCHMSA-N 0 3 394.475 3.516 20 5 GHBDHN COc1ccc(NC(=O)CCN2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000533215476 890020093 /nfs/dbraw/zinc/02/00/93/890020093.db2.gz ARIKNXBVGOVEFU-UHFFFAOYSA-N 0 3 399.422 3.860 20 5 GHBDHN Cc1nc([C@@H]2CCOC2)sc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870453837 890361044 /nfs/dbraw/zinc/36/10/44/890361044.db2.gz FETGGIRYEZIKKH-LALPHHSUSA-N 0 3 394.424 3.658 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000455168877 890416039 /nfs/dbraw/zinc/41/60/39/890416039.db2.gz LVYGUWFUOMCVAC-MRXNPFEDSA-N 0 3 398.463 3.589 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000455155645 890439710 /nfs/dbraw/zinc/43/97/10/890439710.db2.gz LPQITBQYYRGEKS-INIZCTEOSA-N 0 3 397.479 3.619 20 5 GHBDHN CCN(CC)[C@@H](CNc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccsc1 ZINC001184830370 913468292 /nfs/dbraw/zinc/46/82/92/913468292.db2.gz KCPWBTJLRKFAPJ-KRWDZBQOSA-N 0 3 377.466 3.938 20 5 GHBDHN CC(COC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813114564 891305991 /nfs/dbraw/zinc/30/59/91/891305991.db2.gz CULCPKLVRABITL-LLVKDONJSA-N 0 3 393.783 3.682 20 5 GHBDHN CC([C@@H](OC(=O)Cn1nc(C(F)F)cc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000873544094 891676871 /nfs/dbraw/zinc/67/68/71/891676871.db2.gz CJADZKKZPDPJRS-DYZYQPBXSA-N 0 3 397.353 3.787 20 5 GHBDHN COc1ccccc1[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000877028489 893444222 /nfs/dbraw/zinc/44/42/22/893444222.db2.gz XOIGDBDQQSOOPO-BPZDKFOGSA-N 0 3 378.432 3.883 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459524353 893726537 /nfs/dbraw/zinc/72/65/37/893726537.db2.gz JWNWHPRALVOKPH-UHFFFAOYSA-N 0 3 376.482 3.869 20 5 GHBDHN CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000563840341 894246604 /nfs/dbraw/zinc/24/66/04/894246604.db2.gz GRATYPKSHLNDQM-CGTJXYLNSA-N 0 3 386.452 3.670 20 5 GHBDHN C[C@@H]1C[C@@H](Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CN1C1CC1 ZINC000564526715 895053458 /nfs/dbraw/zinc/05/34/58/895053458.db2.gz FCXXBAJCMOFTRU-RKDXNWHRSA-N 0 3 380.317 3.681 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000564603424 895116252 /nfs/dbraw/zinc/11/62/52/895116252.db2.gz HBFFNAMZVJTLQS-MRXNPFEDSA-N 0 3 399.344 3.785 20 5 GHBDHN COc1cccc(CN2CCC(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 ZINC000817521665 895709523 /nfs/dbraw/zinc/70/95/23/895709523.db2.gz KNPRAAPWDXCVCJ-UHFFFAOYSA-N 0 3 397.475 3.615 20 5 GHBDHN C[C@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000568638733 898000390 /nfs/dbraw/zinc/00/03/90/898000390.db2.gz GCNLGLNHXGLULQ-KKSFZXQISA-N 0 3 382.464 3.620 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000568662762 898019352 /nfs/dbraw/zinc/01/93/52/898019352.db2.gz JNBWGCBWDWUNJV-GUYCJALGSA-N 0 3 396.365 3.630 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000043126933 898226608 /nfs/dbraw/zinc/22/66/08/898226608.db2.gz GTYUZUNZJURMQF-GOSISDBHSA-N 0 3 384.436 3.562 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C)cc1 ZINC000569045351 898295897 /nfs/dbraw/zinc/29/58/97/898295897.db2.gz LKQSKNYGVMDMCF-LJQANCHMSA-N 0 3 398.488 3.831 20 5 GHBDHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CC[C@@H]4CC4(Cl)Cl)CC3)nc2c1 ZINC000822852178 898675649 /nfs/dbraw/zinc/67/56/49/898675649.db2.gz QFTIJBVRFSBNAJ-GFCCVEGCSA-N 0 3 398.294 3.567 20 5 GHBDHN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(Cc2ccccc2)CC1 ZINC000113207979 898970436 /nfs/dbraw/zinc/97/04/36/898970436.db2.gz XNOAGBHCPQQZJH-UHFFFAOYSA-N 0 3 392.459 3.813 20 5 GHBDHN O=[N+]([O-])c1ccccc1/C=C\CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000569829795 898974217 /nfs/dbraw/zinc/97/42/17/898974217.db2.gz OAKNKECKKUVMMC-HYXAFXHYSA-N 0 3 375.432 3.853 20 5 GHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001136832703 899443003 /nfs/dbraw/zinc/44/30/03/899443003.db2.gz QYIWZSNMCYPCFK-OAHLLOKOSA-N 0 3 391.830 3.782 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](c1ncccc1C)C(C)C ZINC000118839212 899481807 /nfs/dbraw/zinc/48/18/07/899481807.db2.gz IFFJFEHHHXZCGJ-LJQANCHMSA-N 0 3 386.452 3.622 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(Cc3cc(F)ccc3F)CC2)cc1 ZINC001171097001 900371931 /nfs/dbraw/zinc/37/19/31/900371931.db2.gz ATNXXHXAKZQCGR-FQEVSTJZSA-N 0 3 376.403 3.861 20 5 GHBDHN C[C@@H](Nc1ccc(C(=O)O[C@@H](C)CN2CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000845669370 902322149 /nfs/dbraw/zinc/32/21/49/902322149.db2.gz TUSOBSADEKCGRK-JKSUJKDBSA-N 0 3 398.463 3.804 20 5 GHBDHN COc1ccc2[nH]cc(CC(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])c2c1 ZINC000845875439 902479730 /nfs/dbraw/zinc/47/97/30/902479730.db2.gz MPXUTCNNSVQECO-YUNKPMOVSA-N 0 3 386.379 3.808 20 5 GHBDHN CC(=O)c1cccc(O[C@H](C)C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845878728 902481096 /nfs/dbraw/zinc/48/10/96/902481096.db2.gz VTEOYOVYVARJBV-BBEJJTJUSA-N 0 3 389.379 3.745 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845881289 902485141 /nfs/dbraw/zinc/48/51/41/902485141.db2.gz LLRAVRSAYIUVHK-OICBVUGWSA-N 0 3 393.333 3.823 20 5 GHBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845881699 902485440 /nfs/dbraw/zinc/48/54/40/902485440.db2.gz NIMBBTCZYIQXSQ-QXHJTNOSSA-N 0 3 388.351 3.787 20 5 GHBDHN CC([C@H](OC(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882032 902486543 /nfs/dbraw/zinc/48/65/43/902486543.db2.gz QHIJREWUWGJAMA-WVZRYYJFSA-N 0 3 395.427 3.833 20 5 GHBDHN CCC(=O)N1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000134532591 903532243 /nfs/dbraw/zinc/53/22/43/903532243.db2.gz WTPOAXFOXBFNAY-LBPRGKRZSA-N 0 3 377.828 3.609 20 5 GHBDHN CCC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151903086 904211278 /nfs/dbraw/zinc/21/12/78/904211278.db2.gz OEHCDFAOLJUWRK-LIRRHRJNSA-N 0 3 391.493 3.695 20 5 GHBDHN CCOc1ccc([C@@H](C)NCc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000153017843 904321499 /nfs/dbraw/zinc/32/14/99/904321499.db2.gz NAGKZTMNRPYVCB-QGZVFWFLSA-N 0 3 399.491 3.677 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3cccnc3Cl)CC2)c(F)c1 ZINC001173011462 906088596 /nfs/dbraw/zinc/08/85/96/906088596.db2.gz DLTWYUBHZPECOH-UHFFFAOYSA-N 0 3 382.798 3.680 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCc4ccsc4C3)CC2)c(F)c1 ZINC001173017857 906095252 /nfs/dbraw/zinc/09/52/52/906095252.db2.gz KNNHSJKSGXCWEE-UHFFFAOYSA-N 0 3 379.432 3.962 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cccc(Br)n2)c1F ZINC001173189822 906271539 /nfs/dbraw/zinc/27/15/39/906271539.db2.gz RNDQHVOBAMMQSH-SNVBAGLBSA-N 0 3 398.232 3.621 20 5 GHBDHN CCCCCCOC(=O)CCC(=O)CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216505 906294265 /nfs/dbraw/zinc/29/42/65/906294265.db2.gz CCFOOOSXISHURI-INIZCTEOSA-N 0 3 378.469 3.588 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001173223066 906300997 /nfs/dbraw/zinc/30/09/97/906300997.db2.gz XASKWRJHZYDQGS-JCGIZDLHSA-N 0 3 375.469 3.610 20 5 GHBDHN Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc(N2CCN(C(C)C)CC2)c1 ZINC000190799466 906318078 /nfs/dbraw/zinc/31/80/78/906318078.db2.gz AKTHAANPHZNINO-UHFFFAOYSA-N 0 3 396.491 3.615 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000191380821 906926792 /nfs/dbraw/zinc/92/67/92/906926792.db2.gz GLRUUFPMQBXVPA-UHFFFAOYSA-N 0 3 388.443 3.946 20 5 GHBDHN COc1ccc(CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)CCCO)cc1 ZINC001175121821 907391419 /nfs/dbraw/zinc/39/14/19/907391419.db2.gz XMEHDIMMTXPIIY-HNNXBMFYSA-N 0 3 376.428 3.906 20 5 GHBDHN O=C1CCCN1Cc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192664378 908812826 /nfs/dbraw/zinc/81/28/26/908812826.db2.gz ALGVMKSYWTYYJG-OAQYLSRUSA-N 0 3 379.460 3.884 20 5 GHBDHN CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CCN(Cc2ccccc2)CC1 ZINC000274095098 911220755 /nfs/dbraw/zinc/22/07/55/911220755.db2.gz VEWZJZHTZSJYBB-UHFFFAOYSA-N 0 3 389.402 3.610 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)C1CCOCC1 ZINC000775440371 917794185 /nfs/dbraw/zinc/79/41/85/917794185.db2.gz ZUJKJORQHNFCMK-OAQYLSRUSA-N 0 3 383.448 3.599 20 5 GHBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCN(C)CC1 ZINC000297766305 919745701 /nfs/dbraw/zinc/74/57/01/919745701.db2.gz MOCVCKZQPJIOEK-UHFFFAOYSA-N 0 3 387.402 3.806 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000411140394 926116640 /nfs/dbraw/zinc/11/66/40/926116640.db2.gz ZYHRPKOTGTUVHC-SFHVURJKSA-N 0 3 387.411 3.908 20 5 GHBDHN COc1ccc(NC(=O)CCN2CC[C@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000411294541 926280286 /nfs/dbraw/zinc/28/02/86/926280286.db2.gz IFDMOTJZAFAXFP-KBXCAEBGSA-N 0 3 387.436 3.998 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000751383060 928164005 /nfs/dbraw/zinc/16/40/05/928164005.db2.gz XTRNYGUFRJQSEU-NTCAYCPXSA-N 0 3 381.476 3.631 20 5 GHBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000546058869 929812964 /nfs/dbraw/zinc/81/29/64/929812964.db2.gz DSZJIBBHFROIAF-FXAWDEMLSA-N 0 3 390.411 3.810 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469451401 929904996 /nfs/dbraw/zinc/90/49/96/929904996.db2.gz AVCJBGXZXBCQMS-CQSZACIVSA-N 0 3 389.402 4.000 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758336263 930014254 /nfs/dbraw/zinc/01/42/54/930014254.db2.gz TZQFRQJNDZHCRP-HNAYVOBHSA-N 0 3 384.411 3.882 20 5 GHBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(Cl)c(F)c1 ZINC000782524602 931256473 /nfs/dbraw/zinc/25/64/73/931256473.db2.gz OKXFSGZXMICPSN-UHFFFAOYSA-N 0 3 383.782 3.987 20 5 GHBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN(C2CCC2)C1 ZINC000557837176 931714287 /nfs/dbraw/zinc/71/42/87/931714287.db2.gz GDIDOUGKFUFISV-LBPRGKRZSA-N 0 3 385.386 3.560 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCN2C2CCOCC2)c2ccccc2)c1 ZINC000927104567 932413695 /nfs/dbraw/zinc/41/36/95/932413695.db2.gz NMTUNLKKOZFKAJ-FCHUYYIVSA-N 0 3 381.476 3.527 20 5 GHBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001116595609 933654881 /nfs/dbraw/zinc/65/48/81/933654881.db2.gz XDKKARNHCPPRPJ-YJBOKZPZSA-N 0 3 380.828 3.792 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCOC4(CCOCC4)C3)cs2)c1 ZINC000561543331 934257564 /nfs/dbraw/zinc/25/75/64/934257564.db2.gz RYOBZENDCSSSKW-OAHLLOKOSA-N 0 3 389.477 3.536 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3cccc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000828994951 935752461 /nfs/dbraw/zinc/75/24/61/935752461.db2.gz GVOVPYVERSTKOM-UHFFFAOYSA-N 0 3 386.427 3.769 20 5 GHBDHN CC[C@H](Cc1ccccc1)N(CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000468944887 1016255129 /nfs/dbraw/zinc/25/51/29/1016255129.db2.gz LDDXEQLCIRRDPR-MRXNPFEDSA-N 0 3 399.447 3.605 20 5 GHBDHN CC[C@H](Cc1ccccc1)N(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000469117741 1016512636 /nfs/dbraw/zinc/51/26/36/1016512636.db2.gz YCFBFJAHWLSODN-QGZVFWFLSA-N 0 3 385.464 3.885 20 5 GHBDHN C[C@@H]([C@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccccc1)[NH+]1CCCC1 ZINC001227091687 1032268587 /nfs/dbraw/zinc/26/85/87/1032268587.db2.gz MCHJSXIZBGBNEN-LIRRHRJNSA-N 0 3 394.431 3.848 20 5 GHBDHN COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001227122637 1032279037 /nfs/dbraw/zinc/27/90/37/1032279037.db2.gz SECIYHXWYPPJQM-BEFAXECRSA-N 0 3 384.432 3.671 20 5 GHBDHN NCc1ccnn1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001155130466 1032426039 /nfs/dbraw/zinc/42/60/39/1032426039.db2.gz TWCWFALXUXWKJR-UHFFFAOYSA-N 0 3 379.754 3.563 20 5 GHBDHN COC(=O)c1sc([N+](=O)[O-])cc1OC1CCN(CCc2ccccc2)CC1 ZINC001227542961 1032458496 /nfs/dbraw/zinc/45/84/96/1032458496.db2.gz DGNSZXGNYUHLQF-UHFFFAOYSA-N 0 3 390.461 3.529 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000834877910 1021599159 /nfs/dbraw/zinc/59/91/59/1021599159.db2.gz NHXXPRWEJOEVMI-RDBSUJKOSA-N 0 3 381.473 3.946 20 5 GHBDHN CC[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000834902860 1021651528 /nfs/dbraw/zinc/65/15/28/1021651528.db2.gz DLFUHVVNASJYAM-QZTJIDSGSA-N 0 3 393.484 3.662 20 5 GHBDHN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754313975 1022608347 /nfs/dbraw/zinc/60/83/47/1022608347.db2.gz MAHJFUJHFOUOGD-ZIAGYGMSSA-N 0 3 381.448 3.859 20 5 GHBDHN NCc1nn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c2ccccc12 ZINC001156863602 1033288336 /nfs/dbraw/zinc/28/83/36/1033288336.db2.gz CTKYJECZRAHRGZ-UHFFFAOYSA-N 0 3 380.795 3.503 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000839187459 1025704053 /nfs/dbraw/zinc/70/40/53/1025704053.db2.gz UGBCSECJKIIWLO-HRCADAONSA-N 0 3 393.459 3.859 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC001141775930 1027216638 /nfs/dbraw/zinc/21/66/38/1027216638.db2.gz XHUQPKKEJCBCFE-VQIMIIECSA-N 0 3 397.475 3.775 20 5 GHBDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211297059 1027898202 /nfs/dbraw/zinc/89/82/02/1027898202.db2.gz WIWBEFGBXFTEDT-UHFFFAOYSA-N 0 3 385.424 3.615 20 5 GHBDHN C[C@H](C(=O)N(CCN(C)C)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001142307209 1028651843 /nfs/dbraw/zinc/65/18/43/1028651843.db2.gz TYHYZKMXTHRZBN-HNNXBMFYSA-N 0 3 379.476 3.808 20 5 GHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001205658440 1033513022 /nfs/dbraw/zinc/51/30/22/1033513022.db2.gz FGDOQZLZWNCHIM-OAHLLOKOSA-N 0 3 390.871 3.851 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC001206062570 1033705313 /nfs/dbraw/zinc/70/53/13/1033705313.db2.gz BGYPZTSFNPWPJS-SJLPKXTDSA-N 0 3 380.366 3.869 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001229956258 1033815973 /nfs/dbraw/zinc/81/59/73/1033815973.db2.gz AYIYOKVMKXZHAO-KRWDZBQOSA-N 0 3 384.432 3.733 20 5 GHBDHN COc1cc(CNCC[C@@H]2CCCS2)c([N+](=O)[O-])cc1OCC(F)F ZINC001206847729 1034033241 /nfs/dbraw/zinc/03/32/41/1034033241.db2.gz RXPBEBORXHKLRQ-LBPRGKRZSA-N 0 3 376.425 3.623 20 5 GHBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]1N2C ZINC001230941540 1034300094 /nfs/dbraw/zinc/30/00/94/1034300094.db2.gz URWXTNYQSBEXMG-UVUJQTEASA-N 0 3 396.443 3.807 20 5 GHBDHN O=[N+]([O-])c1ccc2ccc(NC3CCN(Cc4ccc(O)cc4)CC3)nc2c1 ZINC001161131917 1035152889 /nfs/dbraw/zinc/15/28/89/1035152889.db2.gz UEGHURWEUDXAAY-UHFFFAOYSA-N 0 3 378.432 3.925 20 5 GHBDHN CC(C)C(=O)N(C)C1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232225312 1035171065 /nfs/dbraw/zinc/17/10/65/1035171065.db2.gz AQPFTDLNMMPPKD-UHFFFAOYSA-N 0 3 376.504 3.862 20 5 GHBDHN COc1cccc(CN2CC[C@H](Nc3ccc4c(cccc4[N+](=O)[O-])n3)C2)c1 ZINC001161188162 1035171504 /nfs/dbraw/zinc/17/15/04/1035171504.db2.gz RHOBWVICNPBOGZ-INIZCTEOSA-N 0 3 378.432 3.838 20 5 GHBDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001462121107 1070012357 /nfs/dbraw/zinc/01/23/57/1070012357.db2.gz MCGSJTUTHITRMA-STQMWFEESA-N 0 3 390.440 3.662 20 5 GHBDHN COCCN1CCC(Oc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001233969363 1039732367 /nfs/dbraw/zinc/73/23/67/1039732367.db2.gz MWDQEQKWFGAWDR-UHFFFAOYSA-N 0 3 399.369 3.651 20 5 GHBDHN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001254474027 1040260940 /nfs/dbraw/zinc/26/09/40/1040260940.db2.gz NDUHOLPYCVNJNY-FUHWJXTLSA-N 0 3 382.464 3.538 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCN(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC001254476378 1040262510 /nfs/dbraw/zinc/26/25/10/1040262510.db2.gz PDXBBQJSPXJDRO-UHFFFAOYSA-N 0 3 398.482 3.521 20 5 GHBDHN CC(C)N(C)Cc1cnc2n1CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]2C ZINC001254556443 1040326020 /nfs/dbraw/zinc/32/60/20/1040326020.db2.gz KZTISJQJFBTXLL-IRXDYDNUSA-N 0 3 385.512 3.639 20 5 GHBDHN CCC(=O)N(c1ccccc1)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600241 1040370656 /nfs/dbraw/zinc/37/06/56/1040370656.db2.gz RDCKHKBUNBOULM-JOCHJYFZSA-N 0 3 393.487 3.970 20 5 GHBDHN CCN(C(=O)OC(C)(C)C)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601008 1040371772 /nfs/dbraw/zinc/37/17/72/1040371772.db2.gz UWHZAOSGXPQKTQ-LJQANCHMSA-N 0 3 389.496 3.783 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001292110058 1043597207 /nfs/dbraw/zinc/59/72/07/1043597207.db2.gz QYBNSEUKGQECBA-PBHICJAKSA-N 0 3 387.867 3.742 20 5 GHBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000498637819 1046135337 /nfs/dbraw/zinc/13/53/37/1046135337.db2.gz IKRLSCUBUCGZKP-OAHLLOKOSA-N 0 3 389.839 3.865 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC001306838538 1048921585 /nfs/dbraw/zinc/92/15/85/1048921585.db2.gz FWUNXMHMNZZSNS-YJBOKZPZSA-N 0 3 385.464 3.855 20 5 GHBDHN Cc1noc(CN2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC001307582626 1049421621 /nfs/dbraw/zinc/42/16/21/1049421621.db2.gz IOEJEVUTMNBUJL-UHFFFAOYSA-N 0 3 384.480 3.912 20 5 GHBDHN CN1CCN(Cc2cccc(CNc3ccc4cnccc4c3[N+](=O)[O-])c2)CC1 ZINC001328789472 1050638978 /nfs/dbraw/zinc/63/89/78/1050638978.db2.gz QSRMBEDKDBXBMP-UHFFFAOYSA-N 0 3 391.475 3.503 20 5 GHBDHN Cc1ccc(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001311712038 1052349621 /nfs/dbraw/zinc/34/96/21/1052349621.db2.gz IUGVYZICCRLEHV-LPHOPBHVSA-N 0 3 382.464 3.538 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COC(c2ccccc2)c2ccccc2)cc1 ZINC001336997173 1052374794 /nfs/dbraw/zinc/37/47/94/1052374794.db2.gz FMXBXDVQQFENAL-QFIPXVFZSA-N 0 3 392.455 3.852 20 5 GHBDHN CC(C)(C)CCN1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001312382072 1052720384 /nfs/dbraw/zinc/72/03/84/1052720384.db2.gz WJINRRQCTNSIFL-UHFFFAOYSA-N 0 3 396.919 3.554 20 5 GHBDHN COc1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC001345082565 1054893013 /nfs/dbraw/zinc/89/30/13/1054893013.db2.gz AKFITMXGURCJDH-INIZCTEOSA-N 0 3 392.843 3.681 20 5 GHBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001320718276 1055938561 /nfs/dbraw/zinc/93/85/61/1055938561.db2.gz ZTYBFYBBKPPZNH-GDBMZVCRSA-N 0 3 378.812 3.940 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001458631121 1063910042 /nfs/dbraw/zinc/91/00/42/1063910042.db2.gz NFACRMCWVZWIRA-DYESRHJHSA-N 0 3 393.487 3.653 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001465915926 1065920166 /nfs/dbraw/zinc/92/01/66/1065920166.db2.gz OIFGADPVGHAGLJ-ZBFHGGJFSA-N 0 3 385.489 3.710 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001466376545 1066121658 /nfs/dbraw/zinc/12/16/58/1066121658.db2.gz OHVRLLBYUVJJQN-QAPCUYQASA-N 0 3 398.463 3.778 20 5 GHBDHN CCCN(CCc1cccs1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001473359810 1067460419 /nfs/dbraw/zinc/46/04/19/1067460419.db2.gz DGKFUNSLORLWGY-AWEZNQCLSA-N 0 3 391.493 3.947 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001360681717 1068598343 /nfs/dbraw/zinc/59/83/43/1068598343.db2.gz JSLFWSBSFAURQT-QGZVFWFLSA-N 0 3 385.489 3.711 20 5 GHBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@]1(O)CCc2ccccc21 ZINC001460284643 1068906938 /nfs/dbraw/zinc/90/69/38/1068906938.db2.gz UCWVZGSUPINOMK-GOSISDBHSA-N 0 3 391.265 3.623 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001460316836 1068921883 /nfs/dbraw/zinc/92/18/83/1068921883.db2.gz OWCOIEBMECZFKX-UHFFFAOYSA-N 0 3 393.447 3.638 20 5 GHBDHN C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460459777 1068970313 /nfs/dbraw/zinc/97/03/13/1068970313.db2.gz OGKRLDWHELCZTM-QAPCUYQASA-N 0 3 377.485 3.763 20 5 GHBDHN CCc1nn(C)c(NC[C@@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC001472635357 1073588583 /nfs/dbraw/zinc/58/85/83/1073588583.db2.gz UAXZDBCXNBHWGJ-HNNXBMFYSA-N 0 3 377.514 3.837 20 5 GHBDHN CCOc1cc(NCCCN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001472654690 1073598310 /nfs/dbraw/zinc/59/83/10/1073598310.db2.gz ILINRTTZEDLKPH-UHFFFAOYSA-N 0 3 384.480 3.618 20 5 GHBDHN Cc1c(CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001473849774 1074174498 /nfs/dbraw/zinc/17/44/98/1074174498.db2.gz KBXYBICMSCNGLR-GOEBONIOSA-N 0 3 377.485 3.886 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC001474069919 1074253877 /nfs/dbraw/zinc/25/38/77/1074253877.db2.gz USTVUVZXFMMWPX-IBGZPJMESA-N 0 3 381.476 3.535 20 5 GHBDHN C[C@@H](CNCc1ccc(NC(=O)OC(C)(C)C)nn1)c1ccccc1[N+](=O)[O-] ZINC001474727606 1074536323 /nfs/dbraw/zinc/53/63/23/1074536323.db2.gz HWLASRRKXLFYAL-ZDUSSCGKSA-N 0 3 387.440 3.625 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000540987367 837484265 /nfs/dbraw/zinc/48/42/65/837484265.db2.gz NSBLNBXXJLTDQI-MRXNPFEDSA-N 0 3 393.390 3.537 20 5 GHBDHN CCOc1cc(NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000180962689 837741164 /nfs/dbraw/zinc/74/11/64/837741164.db2.gz OHRHALFFUKWWHQ-QGZVFWFLSA-N 0 3 389.452 3.726 20 5 GHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179512982 835786661 /nfs/dbraw/zinc/78/66/61/835786661.db2.gz TUJYEWLAMWXPOU-HNNXBMFYSA-N 0 3 385.468 3.757 20 5 GHBDHN O=C(CCN1CCC[C@H]1CC(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411387996 836160977 /nfs/dbraw/zinc/16/09/77/836160977.db2.gz KNCAPYGJCZRYGL-INIZCTEOSA-N 0 3 387.461 3.722 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000411480438 836177944 /nfs/dbraw/zinc/17/79/44/836177944.db2.gz IQRWLGGKMDIRNL-GFCCVEGCSA-N 0 3 377.828 3.936 20 5 GHBDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000175660174 836933297 /nfs/dbraw/zinc/93/32/97/836933297.db2.gz MZXASAWZWLGBLR-UHFFFAOYSA-N 0 3 379.507 3.582 20 5 GHBDHN CN1CCC(N(Cc2ccccc2)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000176124912 837194293 /nfs/dbraw/zinc/19/42/93/837194293.db2.gz WKZFBDUYHGQJLU-UHFFFAOYSA-N 0 3 392.459 3.813 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000104661239 838836120 /nfs/dbraw/zinc/83/61/20/838836120.db2.gz XHBFOMXGDXMPRZ-UHFFFAOYSA-N 0 3 392.459 3.610 20 5 GHBDHN CC[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCc2ccccc2C1 ZINC000109891398 839474845 /nfs/dbraw/zinc/47/48/45/839474845.db2.gz JABPPMMPZKOGMX-KRWDZBQOSA-N 0 3 392.459 3.643 20 5 GHBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1O ZINC000190066064 839724476 /nfs/dbraw/zinc/72/44/76/839724476.db2.gz VDXMYSWPJWDOTQ-BZNIZROVSA-N 0 3 395.253 3.820 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccco1 ZINC000580544858 839776192 /nfs/dbraw/zinc/77/61/92/839776192.db2.gz HOFPMQCYNDZTOA-JSGCOSHPSA-N 0 3 377.466 3.769 20 5 GHBDHN CC(C)[C@@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236777493 839875684 /nfs/dbraw/zinc/87/56/84/839875684.db2.gz XBTKJAPTDLIPGX-HNNXBMFYSA-N 0 3 383.242 3.724 20 5 GHBDHN Cc1c(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000616237839 839940459 /nfs/dbraw/zinc/94/04/59/839940459.db2.gz WTKKHLPBBXCGJS-FQEVSTJZSA-N 0 3 396.491 3.930 20 5 GHBDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610458537 840109228 /nfs/dbraw/zinc/10/92/28/840109228.db2.gz NNXNDZKQOCQVTB-ZWKOTPCHSA-N 0 3 396.491 3.962 20 5 GHBDHN COc1cc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000511763453 840675744 /nfs/dbraw/zinc/67/57/44/840675744.db2.gz SPQJBEWDNLOLRQ-LMMKCTJWSA-N 0 3 386.423 3.747 20 5 GHBDHN COC(=O)c1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000417309835 840706544 /nfs/dbraw/zinc/70/65/44/840706544.db2.gz KIGPNACJUKCYBH-IBGZPJMESA-N 0 3 384.432 3.947 20 5 GHBDHN O=C1CCCN1CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000584783804 840855997 /nfs/dbraw/zinc/85/59/97/840855997.db2.gz MNOZVPICFLCVIE-UHFFFAOYSA-N 0 3 389.839 3.753 20 5 GHBDHN Cc1nc(C)c([C@@H](C)N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000106876459 841127541 /nfs/dbraw/zinc/12/75/41/841127541.db2.gz NIAFYPWMQCTCBR-CYBMUJFWSA-N 0 3 376.482 3.998 20 5 GHBDHN CN(C)[C@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3Br)cccc21 ZINC000432918060 844626138 /nfs/dbraw/zinc/62/61/38/844626138.db2.gz NPHAQWARTAWYEJ-AWEZNQCLSA-N 0 3 393.241 3.881 20 5 GHBDHN Cc1cc(NC[C@@H](O)COc2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302213908 861241946 /nfs/dbraw/zinc/24/19/46/861241946.db2.gz ZKVOYTZKNQWSBC-CYBMUJFWSA-N 0 3 389.358 3.581 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512111285 842531880 /nfs/dbraw/zinc/53/18/80/842531880.db2.gz GHSCHRFKYYVXSG-PXNSSMCTSA-N 0 3 396.491 3.614 20 5 GHBDHN COc1ccc([C@@H]2CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)cc1 ZINC000728900894 842920513 /nfs/dbraw/zinc/92/05/13/842920513.db2.gz SHSIUFUEWWONDA-GOSISDBHSA-N 0 3 378.432 3.914 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582715 843129190 /nfs/dbraw/zinc/12/91/90/843129190.db2.gz QMFLJRWPIHUDLH-MRXNPFEDSA-N 0 3 380.448 3.832 20 5 GHBDHN COc1ccccc1[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)N1CCCC1 ZINC000302850079 861386408 /nfs/dbraw/zinc/38/64/08/861386408.db2.gz PLLOCPYYODXYBV-IBGZPJMESA-N 0 3 382.464 3.820 20 5 GHBDHN COC[C@@H](CNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)OC ZINC000512391404 843625106 /nfs/dbraw/zinc/62/51/06/843625106.db2.gz MYDOWJKTARQKDI-MRXNPFEDSA-N 0 3 376.478 3.805 20 5 GHBDHN COc1ccc([C@H]2C[C@H](NCc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)cc1F ZINC000500566641 843651629 /nfs/dbraw/zinc/65/16/29/843651629.db2.gz CMHBFQCTGJIHHI-CTYIDZIISA-N 0 3 390.411 3.796 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000510910335 843779577 /nfs/dbraw/zinc/77/95/77/843779577.db2.gz GLHVKERNIMESBI-FQEVSTJZSA-N 0 3 385.464 3.725 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000429822726 843892425 /nfs/dbraw/zinc/89/24/25/843892425.db2.gz CAXWBXJUIBZVTM-HXUWFJFHSA-N 0 3 383.492 3.854 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(F)c(Cl)c1 ZINC000433273660 843945861 /nfs/dbraw/zinc/94/58/61/843945861.db2.gz RZXVFKUNOKNURW-UHFFFAOYSA-N 0 3 395.818 3.857 20 5 GHBDHN COC(=O)COc1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433278929 843950809 /nfs/dbraw/zinc/95/08/09/843950809.db2.gz MSNFTCURXUKZCN-IBGZPJMESA-N 0 3 384.432 3.659 20 5 GHBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000178461914 844840831 /nfs/dbraw/zinc/84/08/31/844840831.db2.gz KHAHTHXIAKYTIJ-ZIAGYGMSSA-N 0 3 377.466 3.687 20 5 GHBDHN Cc1ccc([C@H](C)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000119481346 845380493 /nfs/dbraw/zinc/38/04/93/845380493.db2.gz HUWFBJKGRSZZBS-PXNSSMCTSA-N 0 3 381.476 3.788 20 5 GHBDHN CCc1ccc([C@@H](NC[C@H]2CC[C@H](C(N)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421852467 846621406 /nfs/dbraw/zinc/62/14/06/846621406.db2.gz HLOPTNNNHKLNAZ-UVFQYZLESA-N 0 3 385.464 3.721 20 5 GHBDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413241397 847032521 /nfs/dbraw/zinc/03/25/21/847032521.db2.gz OBUAFPCZFPOTSO-HNNXBMFYSA-N 0 3 397.504 3.866 20 5 GHBDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501869537 847276332 /nfs/dbraw/zinc/27/63/32/847276332.db2.gz ILZWFPMRJNWQFV-SFHVURJKSA-N 0 3 391.855 3.896 20 5 GHBDHN O=C(CCN[C@H]1CCSc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000548761759 848260956 /nfs/dbraw/zinc/26/09/56/848260956.db2.gz SPAGBRVCIMHYDE-AWEZNQCLSA-N 0 3 375.425 3.889 20 5 GHBDHN CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000061165440 848486763 /nfs/dbraw/zinc/48/67/63/848486763.db2.gz ZNLLBBQYUQTKOK-QGZVFWFLSA-N 0 3 396.491 3.616 20 5 GHBDHN Cc1c(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000142989387 862051109 /nfs/dbraw/zinc/05/11/09/862051109.db2.gz HNKARXPZYQIXPJ-UHFFFAOYSA-N 0 3 382.464 3.686 20 5 GHBDHN Cc1c([C@H](C)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000162951099 849736299 /nfs/dbraw/zinc/73/62/99/849736299.db2.gz OZDXUDDWQIHQHS-CVEARBPZSA-N 0 3 397.475 3.972 20 5 GHBDHN COc1cc(C[NH2+]C[C@@H](C)CSc2ccccc2OC)c([N+](=O)[O-])cc1[O-] ZINC000504171545 849952188 /nfs/dbraw/zinc/95/21/88/849952188.db2.gz ZEYWSHWIPULJHK-CYBMUJFWSA-N 0 3 392.477 3.836 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000503160467 862093830 /nfs/dbraw/zinc/09/38/30/862093830.db2.gz OKOOHGFOUNGSIY-LJQANCHMSA-N 0 3 393.447 3.986 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000503160467 862093844 /nfs/dbraw/zinc/09/38/44/862093844.db2.gz OKOOHGFOUNGSIY-LJQANCHMSA-N 0 3 393.447 3.986 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[n-]2)cc1 ZINC000503160467 862093857 /nfs/dbraw/zinc/09/38/57/862093857.db2.gz OKOOHGFOUNGSIY-LJQANCHMSA-N 0 3 393.447 3.986 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000439913790 850579043 /nfs/dbraw/zinc/57/90/43/850579043.db2.gz WZFUBRYFARSCNS-VQIMIIECSA-N 0 3 384.436 3.560 20 5 GHBDHN CO[C@@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000514085507 851222889 /nfs/dbraw/zinc/22/28/89/851222889.db2.gz XJDCIQIUWISIKQ-WBVHZDCISA-N 0 3 376.844 3.517 20 5 GHBDHN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](C)C1 ZINC000436113435 851241356 /nfs/dbraw/zinc/24/13/56/851241356.db2.gz YVSDYONLNTYTSF-CABCVRRESA-N 0 3 395.478 3.671 20 5 GHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000028503108 851681912 /nfs/dbraw/zinc/68/19/12/851681912.db2.gz BYLIPWJGVWOPJN-UHFFFAOYSA-N 0 3 396.491 3.521 20 5 GHBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@@H](OCC)C1(C)C ZINC000303818845 851685667 /nfs/dbraw/zinc/68/56/67/851685667.db2.gz JREBVTJWMZDNQL-ZWKOTPCHSA-N 0 3 378.469 3.877 20 5 GHBDHN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000578787626 851912521 /nfs/dbraw/zinc/91/25/21/851912521.db2.gz VJHFSSFGPGVZJR-LJQANCHMSA-N 0 3 383.448 3.591 20 5 GHBDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3[O-])CC2)cc1[N+](=O)[O-] ZINC000436830727 852380272 /nfs/dbraw/zinc/38/02/72/852380272.db2.gz RHJWMWDGHYTAHK-HNNXBMFYSA-N 0 3 383.448 3.564 20 5 GHBDHN COc1cc(CN[C@@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000133049564 862377336 /nfs/dbraw/zinc/37/73/36/862377336.db2.gz FSEMPBBADKYXRI-SFHVURJKSA-N 0 3 388.411 3.626 20 5 GHBDHN COc1cc(CN(C)[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000509559023 852959485 /nfs/dbraw/zinc/95/94/85/852959485.db2.gz KHXCJSGRPWANTB-IBGZPJMESA-N 0 3 399.491 3.708 20 5 GHBDHN Cc1sc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000140037259 853256389 /nfs/dbraw/zinc/25/63/89/853256389.db2.gz TWUMCBCNTATHCI-CYBMUJFWSA-N 0 3 379.507 3.668 20 5 GHBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000490828472 853280808 /nfs/dbraw/zinc/28/08/08/853280808.db2.gz QUBGYEUOOFRNJK-UHFFFAOYSA-N 0 3 375.375 3.866 20 5 GHBDHN COc1cc(CN(C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491111926 853440764 /nfs/dbraw/zinc/44/07/64/853440764.db2.gz HXIABTHIVVAHMM-UHFFFAOYSA-N 0 3 392.402 3.847 20 5 GHBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000519785551 853491800 /nfs/dbraw/zinc/49/18/00/853491800.db2.gz HEWBSYCMYJSGFG-KRWDZBQOSA-N 0 3 375.473 3.622 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441373564 854157095 /nfs/dbraw/zinc/15/70/95/854157095.db2.gz BRRWDUWPTRAHRH-UONOGXRCSA-N 0 3 387.402 3.779 20 5 GHBDHN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000458884563 854414470 /nfs/dbraw/zinc/41/44/70/854414470.db2.gz DJNAFSZDNOYLQF-SCLBCKFNSA-N 0 3 390.871 3.911 20 5 GHBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)[C@@H]2C1 ZINC000590444257 855423593 /nfs/dbraw/zinc/42/35/93/855423593.db2.gz NJWYCCWIBMTEAV-KBXCAEBGSA-N 0 3 383.473 3.522 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H]2c3ccccc3CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000474001960 855909861 /nfs/dbraw/zinc/90/98/61/855909861.db2.gz OSQGAECQABGPBC-IVZQSRNASA-N 0 3 398.459 3.950 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3CCN(CC(F)F)CC3)cs2)c1 ZINC000172117172 856344316 /nfs/dbraw/zinc/34/43/16/856344316.db2.gz MWRRKRXLORTFMP-UHFFFAOYSA-N 0 3 382.436 3.537 20 5 GHBDHN CCOc1ccc([C@@H](C)NCCNc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000153887597 856723434 /nfs/dbraw/zinc/72/34/34/856723434.db2.gz PZTGOJDPKNROKC-LLVKDONJSA-N 0 3 399.373 3.565 20 5 GHBDHN CN(C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301701945 857255461 /nfs/dbraw/zinc/25/54/61/857255461.db2.gz TXLXLJSHVNSMRE-CQSZACIVSA-N 0 3 383.221 3.606 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000520986354 857462662 /nfs/dbraw/zinc/46/26/62/857462662.db2.gz IZXHHLVWWBQIJL-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000521298160 857845357 /nfs/dbraw/zinc/84/53/57/857845357.db2.gz VUCAVLCMXSHUTL-UHFFFAOYSA-N 0 3 382.464 3.686 20 5 GHBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001128353214 857941005 /nfs/dbraw/zinc/94/10/05/857941005.db2.gz OMTNWVWTTOPBGA-FQEVSTJZSA-N 0 3 398.507 3.547 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)N1CCc2sccc2C1 ZINC000595007169 858364526 /nfs/dbraw/zinc/36/45/26/858364526.db2.gz KKEWBBQCXKWODP-KBPBESRZSA-N 0 3 375.494 3.762 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(OC)c1 ZINC000010917449 858517210 /nfs/dbraw/zinc/51/72/10/858517210.db2.gz AJQQETXOAVSKKV-FQEVSTJZSA-N 0 3 385.464 3.725 20 5 GHBDHN C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000543150477 858663776 /nfs/dbraw/zinc/66/37/76/858663776.db2.gz DVUNVWACRCFWIL-QWHCGFSZSA-N 0 3 385.917 3.719 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593129543 858730916 /nfs/dbraw/zinc/73/09/16/858730916.db2.gz XBUKNFFYZUETCD-JQWIXIFHSA-N 0 3 383.326 3.829 20 5 GHBDHN CCC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000543183940 858764159 /nfs/dbraw/zinc/76/41/59/858764159.db2.gz SKXMYKHFIKULTI-YOEHRIQHSA-N 0 3 380.391 3.744 20 5 GHBDHN NC(=O)c1cc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000596075600 858772402 /nfs/dbraw/zinc/77/24/02/858772402.db2.gz IEZSEAXXDOAKQM-GOSISDBHSA-N 0 3 388.855 3.596 20 5 GHBDHN Cc1cc(N2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)c([N+](=O)[O-])s1 ZINC000856535401 881347654 /nfs/dbraw/zinc/34/76/54/881347654.db2.gz XVVKKIAPOGRKBK-QGZVFWFLSA-N 0 3 390.509 3.858 20 5 GHBDHN CN(C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000543262705 859079292 /nfs/dbraw/zinc/07/92/92/859079292.db2.gz RJTOCYSHKHPXRU-INIZCTEOSA-N 0 3 393.896 3.759 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000596865845 859144034 /nfs/dbraw/zinc/14/40/34/859144034.db2.gz JEEXEVBEDQKYNJ-UHFFFAOYSA-N 0 3 397.479 3.640 20 5 GHBDHN CCOC(=O)C1(C(C)C)CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170354054 881394443 /nfs/dbraw/zinc/39/44/43/881394443.db2.gz HPFAGXIAXPQILB-INIZCTEOSA-N 0 3 392.496 3.836 20 5 GHBDHN C[C@@](CO)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccccc1 ZINC000483648326 859508397 /nfs/dbraw/zinc/50/83/97/859508397.db2.gz VFPMTKIXIULFEP-IBGZPJMESA-N 0 3 380.391 3.527 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000611196435 859638518 /nfs/dbraw/zinc/63/85/18/859638518.db2.gz TZRRQBLDXODTJN-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000543481022 859889929 /nfs/dbraw/zinc/88/99/29/859889929.db2.gz NZGCNFPZSVLASB-MRXNPFEDSA-N 0 3 387.455 3.736 20 5 GHBDHN COC(=O)COc1ccc(CNCc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000474353412 859909736 /nfs/dbraw/zinc/90/97/36/859909736.db2.gz OGUQKRWBTUYBDL-UHFFFAOYSA-N 0 3 380.400 3.590 20 5 GHBDHN CCCCOc1ncccc1CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765335242 859916386 /nfs/dbraw/zinc/91/63/86/859916386.db2.gz ULCBHQMMVODLCB-UHFFFAOYSA-N 0 3 384.480 3.927 20 5 GHBDHN CSc1cccc(N(C(=O)c2ccc([N+](=O)[O-])o2)C2CCN(C)CC2)c1 ZINC000484296044 859930821 /nfs/dbraw/zinc/93/08/21/859930821.db2.gz MFELREYJBICMRD-UHFFFAOYSA-N 0 3 375.450 3.651 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000602381770 860003266 /nfs/dbraw/zinc/00/32/66/860003266.db2.gz ILTHSUBSWDEBSO-GXFFZTMASA-N 0 3 383.326 3.829 20 5 GHBDHN O=C(c1ccoc1)N1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602508344 860081200 /nfs/dbraw/zinc/08/12/00/860081200.db2.gz BGCLZTJGQZZRBB-UHFFFAOYSA-N 0 3 397.353 3.601 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCC(n4ccnc4)CC3)o2)c([N+](=O)[O-])c1 ZINC000092648689 860095203 /nfs/dbraw/zinc/09/52/03/860095203.db2.gz RLJIMHLGUYGOLT-UHFFFAOYSA-N 0 3 382.420 3.897 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1Br ZINC000602684236 860215886 /nfs/dbraw/zinc/21/58/86/860215886.db2.gz NISIJEDYZVKBIF-QMTHXVAHSA-N 0 3 398.282 3.824 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(-c4cccnc4)c3)C2)nc1 ZINC000093534389 860297646 /nfs/dbraw/zinc/29/76/46/860297646.db2.gz WJZJSHWEMITIIA-IBGZPJMESA-N 0 3 375.432 3.738 20 5 GHBDHN COCCOc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000130741558 860453559 /nfs/dbraw/zinc/45/35/59/860453559.db2.gz CWVAPRJXTOWNHB-UHFFFAOYSA-N 0 3 386.448 3.663 20 5 GHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](c1ccccc1)N1CCCC1 ZINC000124845997 860514575 /nfs/dbraw/zinc/51/45/75/860514575.db2.gz GWDYEBIKJIHOOW-OAQYLSRUSA-N 0 3 392.459 3.572 20 5 GHBDHN COc1ccc(CCCN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000125873202 860806838 /nfs/dbraw/zinc/80/68/38/860806838.db2.gz NACIVPWUPIRRDU-INIZCTEOSA-N 0 3 385.464 3.803 20 5 GHBDHN C[C@@H](C(=O)N1CCN(c2ccnc3ccccc32)CC1)c1cccc([N+](=O)[O-])c1 ZINC000593897265 863215961 /nfs/dbraw/zinc/21/59/61/863215961.db2.gz JANSPMLVCADEPA-MRXNPFEDSA-N 0 3 390.443 3.595 20 5 GHBDHN CC[C@@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594039679 863869006 /nfs/dbraw/zinc/86/90/06/863869006.db2.gz BSOROXUVQNHEFF-UKRRQHHQSA-N 0 3 388.411 3.685 20 5 GHBDHN C[C@H](C[S@](C)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000184259137 864286086 /nfs/dbraw/zinc/28/60/86/864286086.db2.gz ALWWKPGEZSLOHZ-YDBLSZJJSA-N 0 3 382.869 3.897 20 5 GHBDHN Cc1c(Cl)cccc1N1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792881694 881770850 /nfs/dbraw/zinc/77/08/50/881770850.db2.gz ANNBUNGGQZRJMQ-FQEVSTJZSA-N 0 3 389.883 3.802 20 5 GHBDHN COc1cc(CNCC2(C(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475219295 864597146 /nfs/dbraw/zinc/59/71/46/864597146.db2.gz KSYAHYYJESAUJT-UHFFFAOYSA-N 0 3 384.301 3.679 20 5 GHBDHN CSc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000475310120 864760323 /nfs/dbraw/zinc/76/03/23/864760323.db2.gz ANCUJEPALNQPQV-KRWDZBQOSA-N 0 3 385.489 3.663 20 5 GHBDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000533968292 865004106 /nfs/dbraw/zinc/00/41/06/865004106.db2.gz MQDVUJQATVXPCO-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000740803036 866015640 /nfs/dbraw/zinc/01/56/40/866015640.db2.gz MCUCKPXGLUVRGO-ADYSOMBNSA-N 0 3 379.460 3.731 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000740803037 866016476 /nfs/dbraw/zinc/01/64/76/866016476.db2.gz MCUCKPXGLUVRGO-GFBZKKKVSA-N 0 3 379.460 3.731 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N2CCCC2)cc1 ZINC000534221224 866328544 /nfs/dbraw/zinc/32/85/44/866328544.db2.gz RXKAWVNZVVRSPR-FQEVSTJZSA-N 0 3 392.459 3.951 20 5 GHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534245151 866360297 /nfs/dbraw/zinc/36/02/97/866360297.db2.gz HRJDGLATQGRTLH-INIZCTEOSA-N 0 3 384.461 3.705 20 5 GHBDHN Cn1nccc1[C@H](O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000857062101 881978817 /nfs/dbraw/zinc/97/88/17/881978817.db2.gz XSBREZPOJJMMCC-OAQYLSRUSA-N 0 3 396.447 3.534 20 5 GHBDHN Cc1c(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000478793746 866644071 /nfs/dbraw/zinc/64/40/71/866644071.db2.gz JFAPDHCJICVFEH-LPHOPBHVSA-N 0 3 382.464 3.538 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248782283 867364439 /nfs/dbraw/zinc/36/44/39/867364439.db2.gz IAVHLXZSFMBIAK-QMMLZNLJSA-N 0 3 381.476 3.725 20 5 GHBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(CCN1CCCC1)c1ccccc1 ZINC000523537482 867477043 /nfs/dbraw/zinc/47/70/43/867477043.db2.gz SJFDKYQQCUJVOI-UHFFFAOYSA-N 0 3 387.867 3.920 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000523614152 867616642 /nfs/dbraw/zinc/61/66/42/867616642.db2.gz BVCJPSKBKKUZJX-OAQYLSRUSA-N 0 3 396.491 3.582 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440909637 869218998 /nfs/dbraw/zinc/21/89/98/869218998.db2.gz AXCOWNHYCRJWNZ-YOEHRIQHSA-N 0 3 380.448 3.693 20 5 GHBDHN COc1ccc(-c2ccc(CN3CCS[C@H]4COCC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000539909997 870009831 /nfs/dbraw/zinc/00/98/31/870009831.db2.gz MHOJBMYKIDMDDE-APWZRJJASA-N 0 3 390.461 3.570 20 5 GHBDHN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)CCCC2 ZINC001193142596 870917054 /nfs/dbraw/zinc/91/70/54/870917054.db2.gz XRYXVYPBGLISCD-HNNXBMFYSA-N 0 3 379.460 3.714 20 5 GHBDHN O=[N+]([O-])c1ccc(CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429698542 871048517 /nfs/dbraw/zinc/04/85/17/871048517.db2.gz NRLJZJLCVDJPTR-QHCPKHFHSA-N 0 3 395.503 3.850 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463278549 871315263 /nfs/dbraw/zinc/31/52/63/871315263.db2.gz NRHYDYBQPCYADC-UZLBHIALSA-N 0 3 396.491 3.650 20 5 GHBDHN COc1ccc(OCCN(C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000441246489 871513526 /nfs/dbraw/zinc/51/35/26/871513526.db2.gz OZUWWXUKYOCBSO-UHFFFAOYSA-N 0 3 385.464 3.714 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462167778 871728965 /nfs/dbraw/zinc/72/89/65/871728965.db2.gz CFFNKIPIRITNMJ-APWZRJJASA-N 0 3 381.476 3.770 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462192343 871821783 /nfs/dbraw/zinc/82/17/83/871821783.db2.gz BLAOUEICJPJMHQ-FTRWYGJKSA-N 0 3 399.516 3.712 20 5 GHBDHN CC(C)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000182448989 872350548 /nfs/dbraw/zinc/35/05/48/872350548.db2.gz KXZMRWHETSMNAB-KUHUBIRLSA-N 0 3 380.391 3.600 20 5 GHBDHN CC1(C)[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000464074180 873173314 /nfs/dbraw/zinc/17/33/14/873173314.db2.gz LTIOTUGKIYESPN-RTBURBONSA-N 0 3 388.489 3.540 20 5 GHBDHN C[C@H](CCCOc1ccccc1C(N)=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000768706575 873511499 /nfs/dbraw/zinc/51/14/99/873511499.db2.gz PVELPAZMYCGQCU-CYBMUJFWSA-N 0 3 391.855 3.684 20 5 GHBDHN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001197077483 873583228 /nfs/dbraw/zinc/58/32/28/873583228.db2.gz LPIBDCKGSPYQMR-HXUWFJFHSA-N 0 3 389.402 3.569 20 5 GHBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000541760531 874224740 /nfs/dbraw/zinc/22/47/40/874224740.db2.gz IWNKDANSWNERHB-UHFFFAOYSA-N 0 3 394.880 3.558 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@]3(CO)Cc3ccccc3)co2)cc1 ZINC000475663474 875977781 /nfs/dbraw/zinc/97/77/81/875977781.db2.gz DFPGDTROCZDRQE-QFIPXVFZSA-N 0 3 393.443 3.819 20 5 GHBDHN COC(=O)Cc1ccc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000450213655 876084449 /nfs/dbraw/zinc/08/44/49/876084449.db2.gz HYOAHNUXURLNFE-QGZVFWFLSA-N 0 3 389.477 3.621 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000850564986 877029184 /nfs/dbraw/zinc/02/91/84/877029184.db2.gz IMVKAITZYXTFOD-WCGZIJFHSA-N 0 3 391.468 3.654 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000610041857 877322687 /nfs/dbraw/zinc/32/26/87/877322687.db2.gz GKRBDJLCAFKGJR-QFBILLFUSA-N 0 3 381.476 3.824 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000068134145 877944814 /nfs/dbraw/zinc/94/48/14/877944814.db2.gz JVTNVUZTFVDENA-WBVHZDCISA-N 0 3 377.510 3.552 20 5 GHBDHN CC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F ZINC000179804085 878041740 /nfs/dbraw/zinc/04/17/40/878041740.db2.gz QEVZKEHCWMUBRK-MRXNPFEDSA-N 0 3 393.390 3.951 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000776582261 878198632 /nfs/dbraw/zinc/19/86/32/878198632.db2.gz NLVIBLOJWFPXAL-UXHICEINSA-N 0 3 390.867 3.727 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000530632956 878205380 /nfs/dbraw/zinc/20/53/80/878205380.db2.gz IDVIVXGQIRKXPF-UHFFFAOYSA-N 0 3 391.387 3.627 20 5 GHBDHN CC(C)[C@H](O)[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000597223807 878745096 /nfs/dbraw/zinc/74/50/96/878745096.db2.gz ZZKLKLLXIHDWIW-YADHBBJMSA-N 0 3 394.475 3.843 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CNC2(c3ccc(Br)cc3)CC2)c1 ZINC000180520414 879008952 /nfs/dbraw/zinc/00/89/52/879008952.db2.gz LGYNNQJXZMIMPO-MRXNPFEDSA-N 0 3 377.238 3.670 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000538568026 879731527 /nfs/dbraw/zinc/73/15/27/879731527.db2.gz KYCAPUDTMMTQRQ-GUYCJALGSA-N 0 3 377.510 3.700 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000538568024 879732016 /nfs/dbraw/zinc/73/20/16/879732016.db2.gz KYCAPUDTMMTQRQ-CXAGYDPISA-N 0 3 377.510 3.700 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000790588268 879844917 /nfs/dbraw/zinc/84/49/17/879844917.db2.gz RFJZJGGOUDBIFW-SFHVURJKSA-N 0 3 393.846 3.657 20 5 GHBDHN C[C@@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494060061 879867208 /nfs/dbraw/zinc/86/72/08/879867208.db2.gz KVGDRXZZWCQSDU-DNVCBOLYSA-N 0 3 394.475 3.562 20 5 GHBDHN CN(C)CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000790894622 880053016 /nfs/dbraw/zinc/05/30/16/880053016.db2.gz DRQHXSFLHCBFOY-UHFFFAOYSA-N 0 3 379.819 3.525 20 5 GHBDHN C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2sccc21 ZINC000453189947 880595455 /nfs/dbraw/zinc/59/54/55/880595455.db2.gz DYPDHHDNGRISBA-WBMJQRKESA-N 0 3 380.491 3.658 20 5 GHBDHN CN1CCC(N(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c2ccccc2)CC1 ZINC000609566887 883349067 /nfs/dbraw/zinc/34/90/67/883349067.db2.gz UEQTUGHBGVONIL-UHFFFAOYSA-N 0 3 392.459 3.677 20 5 GHBDHN CC(C)c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000428539252 883833612 /nfs/dbraw/zinc/83/36/12/883833612.db2.gz PPSSEPNMNVMGJM-GOSISDBHSA-N 0 3 383.448 3.537 20 5 GHBDHN CN(C)C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000859848006 884118583 /nfs/dbraw/zinc/11/85/83/884118583.db2.gz ZJWXDGJXPVUREO-QZTJIDSGSA-N 0 3 398.290 3.828 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000532467208 885615266 /nfs/dbraw/zinc/61/52/66/885615266.db2.gz RTCGHNFORIFUGY-ROUUACIJSA-N 0 3 383.492 3.975 20 5 GHBDHN CC(C)N(CCN(C)C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000495864075 887207107 /nfs/dbraw/zinc/20/71/07/887207107.db2.gz RXOJBBXRVWXKNW-UHFFFAOYSA-N 0 3 393.431 3.504 20 5 GHBDHN COc1ccc(CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000809611039 887582301 /nfs/dbraw/zinc/58/23/01/887582301.db2.gz OMUZBLPDNSXESJ-UHFFFAOYSA-N 0 3 381.473 3.729 20 5 GHBDHN COC(=O)N1CCC([C@@H](C)NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809979994 888039181 /nfs/dbraw/zinc/03/91/81/888039181.db2.gz FUSQIUNZIKMJBL-SNVBAGLBSA-N 0 3 390.267 3.858 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC001132338049 888623274 /nfs/dbraw/zinc/62/32/74/888623274.db2.gz HFKROMLHMXNHKM-SFHVURJKSA-N 0 3 397.475 3.778 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000796111352 913288103 /nfs/dbraw/zinc/28/81/03/913288103.db2.gz DNJTXWXUPKQQHA-QGZVFWFLSA-N 0 3 397.244 3.704 20 5 GHBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000533292725 890209052 /nfs/dbraw/zinc/20/90/52/890209052.db2.gz DNZWDWUMXISYJQ-RTBURBONSA-N 0 3 389.496 3.644 20 5 GHBDHN CC(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813114668 891307003 /nfs/dbraw/zinc/30/70/03/891307003.db2.gz FNJSMDCBVLAJLK-SNVBAGLBSA-N 0 3 380.740 3.863 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2sccc2[C@@H]1C ZINC000026335649 891350646 /nfs/dbraw/zinc/35/06/46/891350646.db2.gz POCBVKYKDHQECH-LBPRGKRZSA-N 0 3 375.450 3.613 20 5 GHBDHN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000497722348 892271520 /nfs/dbraw/zinc/27/15/20/892271520.db2.gz MFUSWUURRIWCBT-FQEVSTJZSA-N 0 3 392.459 3.503 20 5 GHBDHN CC(=O)c1ccc2c(c1)CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000533766533 892894458 /nfs/dbraw/zinc/89/44/58/892894458.db2.gz LHIDYFNIHGQJFF-UHFFFAOYSA-N 0 3 395.459 3.535 20 5 GHBDHN COc1ccc2cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2c1 ZINC000536678808 893525684 /nfs/dbraw/zinc/52/56/84/893525684.db2.gz JZHLRKLYVPRLJK-GOSISDBHSA-N 0 3 378.432 3.838 20 5 GHBDHN CC1(C)CN(C2(CNc3c4ccccc4ncc3[N+](=O)[O-])CCCCC2)CCO1 ZINC001185323729 913815677 /nfs/dbraw/zinc/81/56/77/913815677.db2.gz VYQVHGCCGMUHTF-UHFFFAOYSA-N 0 3 398.507 3.791 20 5 GHBDHN C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000817021519 895265199 /nfs/dbraw/zinc/26/51/99/895265199.db2.gz LAIJJFJVAPWAAQ-LLVKDONJSA-N 0 3 386.279 3.848 20 5 GHBDHN CCN(CC)C(=O)[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000565799186 895888691 /nfs/dbraw/zinc/88/86/91/895888691.db2.gz DGXHDECHDKWPNC-OAQYLSRUSA-N 0 3 394.475 3.818 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000569450283 898677108 /nfs/dbraw/zinc/67/71/08/898677108.db2.gz XXMQYJUSFDMURK-DGCLKSJQSA-N 0 3 382.869 3.717 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000571465630 899877731 /nfs/dbraw/zinc/87/77/31/899877731.db2.gz XDQQLYCLACCQPU-DYESRHJHSA-N 0 3 381.476 3.960 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(Cc3cc(F)ccc3F)CC2)cc1 ZINC001171097002 900372022 /nfs/dbraw/zinc/37/20/22/900372022.db2.gz ATNXXHXAKZQCGR-HXUWFJFHSA-N 0 3 376.403 3.861 20 5 GHBDHN CC(C)N1CC[C@H](NCc2cccnc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000886192256 900876096 /nfs/dbraw/zinc/87/60/96/900876096.db2.gz NHPHHKYZJIZBIQ-ROUUACIJSA-N 0 3 376.407 3.582 20 5 GHBDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000127109737 902420675 /nfs/dbraw/zinc/42/06/75/902420675.db2.gz KMZCKCCIOHDPEC-FQEVSTJZSA-N 0 3 396.447 3.534 20 5 GHBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000577012926 902432742 /nfs/dbraw/zinc/43/27/42/902432742.db2.gz AWHNAPRKENXQNR-LPHOPBHVSA-N 0 3 379.460 3.889 20 5 GHBDHN CC([C@H](OC(=O)CCc1nc(C2CCCC2)no1)c1ccccc1F)[N+](=O)[O-] ZINC000845873319 902474982 /nfs/dbraw/zinc/47/49/82/902474982.db2.gz CIKWIXBKTCXMNC-XIKOKIGWSA-N 0 3 391.399 3.749 20 5 GHBDHN CC(C)n1ncc2cc(C(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])cnc21 ZINC000845873811 902475372 /nfs/dbraw/zinc/47/53/72/902475372.db2.gz WRSUFUIALDCAQC-SJCJKPOMSA-N 0 3 386.383 3.715 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845873001 902476827 /nfs/dbraw/zinc/47/68/27/902476827.db2.gz AOXRPQJOIRZTTN-RLFDGXBXSA-N 0 3 383.322 3.821 20 5 GHBDHN CC([C@@H](OC(=O)CCC(=O)c1cccc(F)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845879541 902482528 /nfs/dbraw/zinc/48/25/28/902482528.db2.gz VRTOZGLLWNDWSI-CWTRNNRKSA-N 0 3 377.343 3.877 20 5 GHBDHN CCOC(=O)C1CCC(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845881344 902485507 /nfs/dbraw/zinc/48/55/07/902485507.db2.gz LVEOBKJKXLKKOR-WYXOVGLDSA-N 0 3 395.427 3.835 20 5 GHBDHN CC([C@H](OC(=O)c1sc(N(C)C)nc1Cl)c1ccccc1F)[N+](=O)[O-] ZINC000845884016 902489304 /nfs/dbraw/zinc/48/93/04/902489304.db2.gz WHVPDYRZQOQFGG-KWQFWETISA-N 0 3 387.820 3.565 20 5 GHBDHN CC([C@H](OC(=O)c1sc(N(C)C)nc1Cl)c1ccccc1F)[N+](=O)[O-] ZINC000845884015 902489489 /nfs/dbraw/zinc/48/94/89/902489489.db2.gz WHVPDYRZQOQFGG-KCJUWKMLSA-N 0 3 387.820 3.565 20 5 GHBDHN COCc1ccc([C@@H]2CCCN2CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000130783298 903022365 /nfs/dbraw/zinc/02/23/65/903022365.db2.gz DPFYFVCBHHLCPB-SFHVURJKSA-N 0 3 387.436 3.808 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000600983690 903183354 /nfs/dbraw/zinc/18/33/54/903183354.db2.gz MKWWBJGQDIBSLR-GOSISDBHSA-N 0 3 389.427 3.555 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000578082602 903503027 /nfs/dbraw/zinc/50/30/27/903503027.db2.gz VPGSJCFQNADOTP-GOEBONIOSA-N 0 3 377.510 3.796 20 5 GHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C2CCCCC2)CC1 ZINC000141676893 903955023 /nfs/dbraw/zinc/95/50/23/903955023.db2.gz WEVVCZZVNYZADX-HNNXBMFYSA-N 0 3 385.468 3.656 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(CCSC(F)(F)F)[C@H]1CC[C@H](O)CC1 ZINC001171559910 904827854 /nfs/dbraw/zinc/82/78/54/904827854.db2.gz AUBDONRSUUQNMB-HDJSIYSDSA-N 0 3 378.416 3.953 20 5 GHBDHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243235 905793072 /nfs/dbraw/zinc/79/30/72/905793072.db2.gz FYWKQAHNDWNCRB-MRXNPFEDSA-N 0 3 382.468 3.602 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](c2cccnc2OC)C2CC2)c1F ZINC001173182314 906263551 /nfs/dbraw/zinc/26/35/51/906263551.db2.gz RWTZRLXHTGBDNO-BLVKFPJESA-N 0 3 389.427 3.818 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](c2ccc(F)cn2)C2CC2)c1F ZINC001173182345 906263766 /nfs/dbraw/zinc/26/37/66/906263766.db2.gz SCEFOMZXAPQKIR-WLRWDXFRSA-N 0 3 377.391 3.949 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1I ZINC001173219277 906296384 /nfs/dbraw/zinc/29/63/84/906296384.db2.gz MVKQYHQBHRJGSD-GFCCVEGCSA-N 0 3 396.228 3.920 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001173231177 906316159 /nfs/dbraw/zinc/31/61/59/906316159.db2.gz YGABMBWQUWKDBK-CYBMUJFWSA-N 0 3 381.388 3.699 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000183444322 907389636 /nfs/dbraw/zinc/38/96/36/907389636.db2.gz YCRSISZSXVAVTM-IWLLYFRBSA-N 0 3 394.475 3.735 20 5 GHBDHN CCN1CCN(c2ccc(N[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000774270845 911600017 /nfs/dbraw/zinc/60/00/17/911600017.db2.gz HLODRPSIEOLROB-UXHICEINSA-N 0 3 398.511 3.529 20 5 GHBDHN Cc1cc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC001186922920 914903611 /nfs/dbraw/zinc/90/36/11/914903611.db2.gz SGTODLVHNLITAZ-NHCUHLMSSA-N 0 3 385.439 3.522 20 5 GHBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)C2)C1 ZINC000293842800 916416150 /nfs/dbraw/zinc/41/61/50/916416150.db2.gz CQQBHBNTUWDXKY-QHCPKHFHSA-N 0 3 375.472 3.652 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294218580 916656278 /nfs/dbraw/zinc/65/62/78/916656278.db2.gz AYTAKZLPGIEWER-UHFFFAOYSA-N 0 3 381.354 3.605 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCOC[C@@H]2CCCO2)ccc1Oc1ccc(F)cc1 ZINC000115625880 919461407 /nfs/dbraw/zinc/46/14/07/919461407.db2.gz YERWIMGLJNCSTI-SFHVURJKSA-N 0 3 390.411 3.811 20 5 GHBDHN CN(CCCc1cc(-c2ccc(F)cc2)no1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750055964 927409686 /nfs/dbraw/zinc/40/96/86/927409686.db2.gz WRUUSHZIGMWOEO-NRFANRHFSA-N 0 3 399.422 3.987 20 5 GHBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000750188178 927476392 /nfs/dbraw/zinc/47/63/92/927476392.db2.gz URASGGUDMLOYOS-UHFFFAOYSA-N 0 3 375.856 3.761 20 5 GHBDHN CN(C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000750291284 927537904 /nfs/dbraw/zinc/53/79/04/927537904.db2.gz VWWXEOMQWUDTED-MRXNPFEDSA-N 0 3 393.484 3.553 20 5 GHBDHN C/C(=C\C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000752518475 928863179 /nfs/dbraw/zinc/86/31/79/928863179.db2.gz RIBJIAZIAQNYRE-DTQAZKPQSA-N 0 3 395.459 3.594 20 5 GHBDHN C/C(=C\C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752642452 928945828 /nfs/dbraw/zinc/94/58/28/928945828.db2.gz YFAZJULPGKNOLJ-IWLLYFRBSA-N 0 3 394.475 3.735 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467690207 929306648 /nfs/dbraw/zinc/30/66/48/929306648.db2.gz CCJRBQCWZQGZAK-DNVCBOLYSA-N 0 3 394.475 3.562 20 5 GHBDHN Cc1c(NC(=O)CCN2CC[C@H](c3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000469474718 929924279 /nfs/dbraw/zinc/92/42/79/929924279.db2.gz PZIFVNKBMRTDGU-AWEZNQCLSA-N 0 3 389.402 4.000 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000557363943 931378131 /nfs/dbraw/zinc/37/81/31/931378131.db2.gz PQRWIJNZCSMEJG-LJQANCHMSA-N 0 3 399.466 3.647 20 5 GHBDHN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000559516846 932716394 /nfs/dbraw/zinc/71/63/94/932716394.db2.gz JZTLZXVWMFJQFQ-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2c(F)cccc2N2CCCC2)n1 ZINC000560575647 933355723 /nfs/dbraw/zinc/35/57/23/933355723.db2.gz YBSGUIHDUNTNGJ-PKOBYXMFSA-N 0 3 387.459 3.804 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000560680788 933451652 /nfs/dbraw/zinc/45/16/52/933451652.db2.gz UYISRRJXBOXVIC-GFCCVEGCSA-N 0 3 393.394 3.571 20 5 GHBDHN O=C(NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC001118326830 934139838 /nfs/dbraw/zinc/13/98/38/934139838.db2.gz YFVPYHHUOPRNRQ-INIZCTEOSA-N 0 3 393.365 3.621 20 5 GHBDHN Cc1sc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000561653961 934340343 /nfs/dbraw/zinc/34/03/43/934340343.db2.gz XEWDTRGFVKLQTN-QGZVFWFLSA-N 0 3 391.493 3.785 20 5 GHBDHN Cc1cc(Br)cn2cc(CCNCc3ccccc3[N+](=O)[O-])nc12 ZINC000544940988 1015249965 /nfs/dbraw/zinc/24/99/65/1015249965.db2.gz NLWMLBWNVUTTMY-UHFFFAOYSA-N 0 3 389.253 3.646 20 5 GHBDHN COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001227544215 1032458569 /nfs/dbraw/zinc/45/85/69/1032458569.db2.gz JQYZYRABHIROAC-ZFWWWQNUSA-N 0 3 390.461 3.732 20 5 GHBDHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CCN(C)C)c1ccccc1 ZINC000562103607 1018039811 /nfs/dbraw/zinc/03/98/11/1018039811.db2.gz BMGWIRVBRBOPAE-CQSZACIVSA-N 0 3 391.855 3.610 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2cccc(Br)c2)cc1Cl ZINC000802659069 1021518094 /nfs/dbraw/zinc/51/80/94/1021518094.db2.gz WGPBVWAZOHTXAL-OAHLLOKOSA-N 0 3 385.645 3.834 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001204952518 1033182596 /nfs/dbraw/zinc/18/25/96/1033182596.db2.gz DTWCTHHTSJSWSX-GJZGRUSLSA-N 0 3 393.484 3.729 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](c1cccs1)N(C)C ZINC001161941714 1025507685 /nfs/dbraw/zinc/50/76/85/1025507685.db2.gz MYXUWBSMUDOIDW-CYBMUJFWSA-N 0 3 383.857 3.811 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](c1ccc(F)cc1)N(C)C ZINC001162206021 1025669354 /nfs/dbraw/zinc/66/93/54/1025669354.db2.gz NQOSOBXXZBRKSE-GOSISDBHSA-N 0 3 375.400 3.544 20 5 GHBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000832585149 1025742156 /nfs/dbraw/zinc/74/21/56/1025742156.db2.gz JDPPPVAFVXNUMS-DLBZAZTESA-N 0 3 397.372 3.854 20 5 GHBDHN Cc1cc(Cl)c(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000839235432 1025748716 /nfs/dbraw/zinc/74/87/16/1025748716.db2.gz HNHLNBCZGMMXCK-UHFFFAOYSA-N 0 3 391.855 3.886 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001165202066 1026663149 /nfs/dbraw/zinc/66/31/49/1026663149.db2.gz RRTGVXDFYPUHCU-JKSUJKDBSA-N 0 3 377.448 3.637 20 5 GHBDHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(F)c1 ZINC000840508025 1027586530 /nfs/dbraw/zinc/58/65/30/1027586530.db2.gz XHIFQYHLUQAHCY-UHFFFAOYSA-N 0 3 386.427 3.648 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@]3(OC(C)C)CCOC3)o2)c([N+](=O)[O-])c1 ZINC001203772846 1027593904 /nfs/dbraw/zinc/59/39/04/1027593904.db2.gz YAZPHAIJMFMDTK-HXUWFJFHSA-N 0 3 390.436 3.537 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1Cl ZINC001216577473 1029691092 /nfs/dbraw/zinc/69/10/92/1029691092.db2.gz DCFDGBXHRASXNW-UHFFFAOYSA-N 0 3 392.202 3.659 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001150120174 1030405658 /nfs/dbraw/zinc/40/56/58/1030405658.db2.gz UEGMJMDYZCAOMS-WMLDXEAASA-N 0 3 391.537 3.946 20 5 GHBDHN CNC(=O)CC1(CNCc2c(Br)cccc2[N+](=O)[O-])CCCCC1 ZINC001461660155 1069663253 /nfs/dbraw/zinc/66/32/53/1069663253.db2.gz IYSFWYSVMZQPLY-UHFFFAOYSA-N 0 3 398.301 3.534 20 5 GHBDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001223871220 1030783904 /nfs/dbraw/zinc/78/39/04/1030783904.db2.gz XODNWGYGBOHYFS-MSOLQXFVSA-N 0 3 396.491 3.819 20 5 GHBDHN Nc1ccc2n(C(=O)[C@H]3C[C@H](c4ccccc4)CCN3)c3ccccc3cc-2c1=O ZINC001219255563 1031328606 /nfs/dbraw/zinc/32/86/06/1031328606.db2.gz FYBGFYZSXUXQQJ-DYESRHJHSA-N 0 3 397.478 3.865 20 5 GHBDHN CCOc1cc(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001207138082 1034121293 /nfs/dbraw/zinc/12/12/93/1034121293.db2.gz QRDHWTTYMIAKOE-OAQYLSRUSA-N 0 3 398.463 3.780 20 5 GHBDHN COc1ccc(O[C@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)nc1 ZINC001232225534 1035172316 /nfs/dbraw/zinc/17/23/16/1035172316.db2.gz DDSGBEIFENRQBJ-FQEVSTJZSA-N 0 3 386.455 3.840 20 5 GHBDHN COc1cc(C)nc(NCC2CCN(Cc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC001161193866 1035175915 /nfs/dbraw/zinc/17/59/15/1035175915.db2.gz HCGPHABEQZJMFS-UHFFFAOYSA-N 0 3 388.443 3.770 20 5 GHBDHN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)C(C[C@H]1CCCO1)C(F)(F)F ZINC001278725484 1039684097 /nfs/dbraw/zinc/68/40/97/1039684097.db2.gz LUPGLTSSDYHNIT-TZMCWYRMSA-N 0 3 383.326 3.829 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCN(Cc4cccc(F)c4)CC3)CC2)cc1 ZINC001254479031 1040265580 /nfs/dbraw/zinc/26/55/80/1040265580.db2.gz PDQXIQMWPXPHER-UHFFFAOYSA-N 0 3 398.482 3.521 20 5 GHBDHN COc1ccc(OC(F)(F)F)cc1CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576810 1040353115 /nfs/dbraw/zinc/35/31/15/1040353115.db2.gz ZUXDZFQUOFMXAQ-CQSZACIVSA-N 0 3 382.338 3.759 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC(Oc3ncnc4ccccc43)CC1)C2 ZINC001254612068 1040383993 /nfs/dbraw/zinc/38/39/93/1040383993.db2.gz UUWVBVPNLZGBRJ-GOSISDBHSA-N 0 3 390.443 3.549 20 5 GHBDHN COc1cc(N2CCC(NCc3cc(F)cnc3Cl)CC2)ccc1[N+](=O)[O-] ZINC001256100142 1041527679 /nfs/dbraw/zinc/52/76/79/1041527679.db2.gz FOBHJEGDOFAZJN-UHFFFAOYSA-N 0 3 394.834 3.550 20 5 GHBDHN CC(C)(CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC001292157158 1043607676 /nfs/dbraw/zinc/60/76/76/1043607676.db2.gz NOETWJZUSFQXFE-UHFFFAOYSA-N 0 3 399.466 3.620 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001294804382 1044800366 /nfs/dbraw/zinc/80/03/66/1044800366.db2.gz NQVOSIDFHMQWMO-QFBILLFUSA-N 0 3 397.475 3.775 20 5 GHBDHN C[C@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000566321022 1046033401 /nfs/dbraw/zinc/03/34/01/1046033401.db2.gz BWCNEFNCEDPIPX-HRAATJIYSA-N 0 3 382.464 3.620 20 5 GHBDHN CC[C@H](NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC001306818335 1048912916 /nfs/dbraw/zinc/91/29/16/1048912916.db2.gz YESUDOBEWFYMKO-PMACEKPBSA-N 0 3 385.464 3.910 20 5 GHBDHN O=[N+]([O-])c1ccc(NCCCCN2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC001306934785 1048967202 /nfs/dbraw/zinc/96/72/02/1048967202.db2.gz FYLTYWFTTZOKFA-UHFFFAOYSA-N 0 3 386.471 3.744 20 5 GHBDHN Cn1c2ccccc2c(NC[C@H]2CCN2C2CCCCCC2)c([N+](=O)[O-])c1=O ZINC001307191045 1049128733 /nfs/dbraw/zinc/12/87/33/1049128733.db2.gz MBUWLGZIKPQSPJ-MRXNPFEDSA-N 0 3 384.480 3.656 20 5 GHBDHN Cc1ccc(CN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001307913128 1049689983 /nfs/dbraw/zinc/68/99/83/1049689983.db2.gz HRBWBKSGBBZMEX-OAHLLOKOSA-N 0 3 393.365 3.513 20 5 GHBDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001308432908 1049975002 /nfs/dbraw/zinc/97/50/02/1049975002.db2.gz DJPGMASBHNQYAE-WBVHZDCISA-N 0 3 394.855 3.652 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(OC(F)F)cc1F ZINC001308901589 1050149747 /nfs/dbraw/zinc/14/97/47/1050149747.db2.gz JRGAKPIGOPTOSN-NSHDSACASA-N 0 3 397.353 3.842 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001310849115 1051647534 /nfs/dbraw/zinc/64/75/34/1051647534.db2.gz PEIFVYOXQADQEQ-HNAYVOBHSA-N 0 3 382.464 3.942 20 5 GHBDHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318838389 1054910038 /nfs/dbraw/zinc/91/00/38/1054910038.db2.gz PWOMDAUSYVIHNS-OAQYLSRUSA-N 0 3 394.475 3.847 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC001345606414 1055148473 /nfs/dbraw/zinc/14/84/73/1055148473.db2.gz POEYGNCWTWZHJB-IRLDBZIGSA-N 0 3 392.459 3.540 20 5 GHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001319998504 1055587516 /nfs/dbraw/zinc/58/75/16/1055587516.db2.gz VKEZSEICIKEWEK-HNNXBMFYSA-N 0 3 393.443 3.664 20 5 GHBDHN COc1cc(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c([N+](=O)[O-])cc1[O-] ZINC001200535209 1056262986 /nfs/dbraw/zinc/26/29/86/1056262986.db2.gz ZWMMAHKXDBOFTD-HNNXBMFYSA-N 0 3 385.464 3.624 20 5 GHBDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001435562936 1062735101 /nfs/dbraw/zinc/73/51/01/1062735101.db2.gz JHZSGXZXCDPNAT-OAHLLOKOSA-N 0 3 388.237 3.508 20 5 GHBDHN CCN1CCN(c2ccc(Nc3c4ccccc4ncc3[N+](=O)[O-])c(C)c2)CC1 ZINC001458054968 1063531810 /nfs/dbraw/zinc/53/18/10/1063531810.db2.gz SMKXIMBUKGTOOL-UHFFFAOYSA-N 0 3 391.475 3.759 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccsc2)cc1Cl ZINC001436639012 1063587433 /nfs/dbraw/zinc/58/74/33/1063587433.db2.gz GEBFPXFINGNRIA-UHFFFAOYSA-N 0 3 381.885 3.822 20 5 GHBDHN Cc1c(CC(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001437027875 1063743059 /nfs/dbraw/zinc/74/30/59/1063743059.db2.gz JMGXUAGOLVGVNL-OAQYLSRUSA-N 0 3 395.503 3.957 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCCN(Cc3ccccc3)CCOCC2)c(F)c1 ZINC001458665735 1063914933 /nfs/dbraw/zinc/91/49/33/1063914933.db2.gz IHASZGSUDBQUIW-UHFFFAOYSA-N 0 3 391.418 3.602 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001357631835 1067206912 /nfs/dbraw/zinc/20/69/12/1067206912.db2.gz RPIOSEFQULUCQU-FXAWDEMLSA-N 0 3 393.487 3.968 20 5 GHBDHN CCCN(CCc1cccs1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC001473359811 1067460206 /nfs/dbraw/zinc/46/02/06/1067460206.db2.gz DGKFUNSLORLWGY-CQSZACIVSA-N 0 3 391.493 3.947 20 5 GHBDHN CC1(C)[C@H](c2ccccc2)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460257498 1068889978 /nfs/dbraw/zinc/88/99/78/1068889978.db2.gz LVUPTLLNBHIGAY-IBGZPJMESA-N 0 3 379.460 3.752 20 5 GHBDHN COC(=O)/C=C/c1ccc(N[C@H]2CCN(Cc3ccc(C)cc3)C2)c([N+](=O)[O-])c1 ZINC001472859335 1073697993 /nfs/dbraw/zinc/69/79/93/1073697993.db2.gz FWEMLBTXYPXULH-RQMBKDMJSA-N 0 3 395.459 3.776 20 5 GHBDHN C[C@](CO)(NCCOc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001473714146 1074103396 /nfs/dbraw/zinc/10/33/96/1074103396.db2.gz MITGMEWNOFWHFQ-QGZVFWFLSA-N 0 3 385.247 3.778 20 5 GHBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001473843325 1074170484 /nfs/dbraw/zinc/17/04/84/1074170484.db2.gz BGFXPPLSHGYOOI-MRXNPFEDSA-N 0 3 376.254 3.959 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nc(C(F)(F)F)cs1 ZINC001474023484 1074239020 /nfs/dbraw/zinc/23/90/20/1074239020.db2.gz BMCRFDJVORRLBZ-UHFFFAOYSA-N 0 3 375.372 3.801 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@H]2CCN(C3CCCCC3)C2)cc1Br ZINC001474634323 1074492394 /nfs/dbraw/zinc/49/23/94/1074492394.db2.gz SBUWJULANJLQPK-NSHDSACASA-N 0 3 388.331 3.915 20 5 GHBDHN COc1ccccc1C[C@](C)(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001560548724 1126212748 /nfs/dbraw/zinc/21/27/48/1126212748.db2.gz YXLGCZREXJRDFP-JOCHJYFZSA-N 0 3 396.443 3.947 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000738369783 598466164 /nfs/dbraw/zinc/46/61/64/598466164.db2.gz OKHYOQLECOAHRA-UHFFFAOYSA-N 0 3 392.444 3.793 20 5 GHBDHN CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419135 608549197 /nfs/dbraw/zinc/54/91/97/608549197.db2.gz IDEVHXYQPOTAJW-LYASGUKUSA-N 0 3 378.436 3.871 20 5 GHBDHN CC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825419135 608549199 /nfs/dbraw/zinc/54/91/99/608549199.db2.gz IDEVHXYQPOTAJW-LYASGUKUSA-N 0 3 378.436 3.871 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000581965957 837756557 /nfs/dbraw/zinc/75/65/57/837756557.db2.gz FLTFXRYQUSYDCD-AUUYWEPGSA-N 0 3 387.505 3.839 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000176792426 834755620 /nfs/dbraw/zinc/75/56/20/834755620.db2.gz AMSXMDSZEYKJPU-IBGZPJMESA-N 0 3 385.439 3.918 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000136166292 835314466 /nfs/dbraw/zinc/31/44/66/835314466.db2.gz XKIBHQWPSVUPFE-KRWDZBQOSA-N 0 3 375.856 3.843 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCn3cc(Br)cn3)o2)c1 ZINC000513032914 844117016 /nfs/dbraw/zinc/11/70/16/844117016.db2.gz QCRNQLCVQLGVHF-UHFFFAOYSA-N 0 3 391.225 3.604 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCc3c2cnn3CCO)s1 ZINC000365064992 836174119 /nfs/dbraw/zinc/17/41/19/836174119.db2.gz DKQUSPABFFQOOO-QGZVFWFLSA-N 0 3 398.488 3.679 20 5 GHBDHN COc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411782942 836345869 /nfs/dbraw/zinc/34/58/69/836345869.db2.gz ALFTTWRRSYHIMG-NWDGAFQWSA-N 0 3 389.374 3.595 20 5 GHBDHN COc1cc(CN2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000612540302 836378410 /nfs/dbraw/zinc/37/84/10/836378410.db2.gz MAYMCEXCHRTZBW-LBPRGKRZSA-N 0 3 386.395 3.596 20 5 GHBDHN Cc1ccccc1CN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612611049 836493358 /nfs/dbraw/zinc/49/33/58/836493358.db2.gz YQLWYRSUBZAIDC-UHFFFAOYSA-N 0 3 386.427 3.782 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000548952682 836558595 /nfs/dbraw/zinc/55/85/95/836558595.db2.gz SLCMRQBHIXAZLF-RDJZCZTQSA-N 0 3 383.448 3.559 20 5 GHBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](c1ccccc1)N(C)C ZINC000187274315 837276399 /nfs/dbraw/zinc/27/63/99/837276399.db2.gz AZZWTEWYUXXMSO-SJCJKPOMSA-N 0 3 393.390 3.617 20 5 GHBDHN COc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000053249792 838569528 /nfs/dbraw/zinc/56/95/28/838569528.db2.gz LAEPMORKRRPHRX-FQEVSTJZSA-N 0 3 398.463 3.870 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000412374086 839223959 /nfs/dbraw/zinc/22/39/59/839223959.db2.gz WOURZPZXQKLEBO-ZCNNSNEGSA-N 0 3 399.516 3.839 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2SCC)c([N+](=O)[O-])c1 ZINC000190059999 839523753 /nfs/dbraw/zinc/52/37/53/839523753.db2.gz QAQLFEZEZFICFR-DOTOQJQBSA-N 0 3 381.498 3.586 20 5 GHBDHN CCc1nncn1CCNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000548117351 839887018 /nfs/dbraw/zinc/88/70/18/839887018.db2.gz RWKXCZWGLPCEJL-UHFFFAOYSA-N 0 3 397.504 3.998 20 5 GHBDHN COC[C@@](C)(CCO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000175850633 840136871 /nfs/dbraw/zinc/13/68/71/840136871.db2.gz GJLRNJBMSGBPRJ-LJQANCHMSA-N 0 3 394.855 3.918 20 5 GHBDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000126429100 841056777 /nfs/dbraw/zinc/05/67/77/841056777.db2.gz KYXAMRUXXLQPFE-JKSUJKDBSA-N 0 3 382.464 3.873 20 5 GHBDHN CCOC(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000473080843 841271662 /nfs/dbraw/zinc/27/16/62/841271662.db2.gz YSCUNBUUNMHGJO-UHFFFAOYSA-N 0 3 378.812 3.941 20 5 GHBDHN Cc1ccc([C@H](CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)N2CCOCC2)o1 ZINC000302159745 861223544 /nfs/dbraw/zinc/22/35/44/861223544.db2.gz JOSXGKMMTCXDAI-FQEVSTJZSA-N 0 3 396.447 3.838 20 5 GHBDHN CCN1CCN(C[C@H](C)CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302240998 861249966 /nfs/dbraw/zinc/24/99/66/861249966.db2.gz NPVOLRPKTKXMPD-GFCCVEGCSA-N 0 3 375.300 3.587 20 5 GHBDHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489812548 861250780 /nfs/dbraw/zinc/25/07/80/861250780.db2.gz VOCBBAQAXMJQBJ-IBGZPJMESA-N 0 3 394.475 3.543 20 5 GHBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000489812550 861251109 /nfs/dbraw/zinc/25/11/09/861251109.db2.gz VOCBBAQAXMJQBJ-LJQANCHMSA-N 0 3 394.475 3.543 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000512023116 842174792 /nfs/dbraw/zinc/17/47/92/842174792.db2.gz HWKRVLHSKIUAGR-UHFFFAOYSA-N 0 3 385.489 3.747 20 5 GHBDHN CC1(C)C[C@@H](NCc2ccccc2CS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279033286 842488982 /nfs/dbraw/zinc/48/89/82/842488982.db2.gz ISICAJYIULFFQV-LJQANCHMSA-N 0 3 388.489 3.652 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000049799235 842568441 /nfs/dbraw/zinc/56/84/41/842568441.db2.gz DSNSUNCOVPQNJQ-FQEVSTJZSA-N 0 3 384.480 3.602 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000175987958 842679564 /nfs/dbraw/zinc/67/95/64/842679564.db2.gz FUZGXMFPODVUDW-UHFFFAOYSA-N 0 3 396.491 3.994 20 5 GHBDHN C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@H](C)C1 ZINC000581923231 842698507 /nfs/dbraw/zinc/69/85/07/842698507.db2.gz IWHFPDPDOFBWAL-HOTGVXAUSA-N 0 3 377.488 3.532 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000510632222 843094643 /nfs/dbraw/zinc/09/46/43/843094643.db2.gz VIOXTUPNQUNZRO-FQEVSTJZSA-N 0 3 399.447 3.600 20 5 GHBDHN O=c1ccccn1C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000500486109 843522097 /nfs/dbraw/zinc/52/20/97/843522097.db2.gz SLQFHZLLTUUBHW-MEJUDOHFSA-N 0 3 375.428 3.801 20 5 GHBDHN COc1ccc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[N+](=O)[O-] ZINC000500549319 843622901 /nfs/dbraw/zinc/62/29/01/843622901.db2.gz WPCHUFMUAXEASS-IBGZPJMESA-N 0 3 376.840 3.748 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000538568025 845520978 /nfs/dbraw/zinc/52/09/78/845520978.db2.gz KYCAPUDTMMTQRQ-DYVFJYSZSA-N 0 3 377.510 3.700 20 5 GHBDHN Cc1nc2ccccc2n1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280248175 846348362 /nfs/dbraw/zinc/34/83/62/846348362.db2.gz OFDAYFDONIVCGW-NRFANRHFSA-N 0 3 380.448 3.623 20 5 GHBDHN CC[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)N1CCc2ccccc2C1 ZINC000501393425 846887151 /nfs/dbraw/zinc/88/71/51/846887151.db2.gz ZLZLJCCHCJKTNK-GOSISDBHSA-N 0 3 382.464 3.862 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273407 847577040 /nfs/dbraw/zinc/57/70/40/847577040.db2.gz WRKYVWJSZJUETN-LJQANCHMSA-N 0 3 389.839 3.936 20 5 GHBDHN C[C@H](C(=O)N(c1ccccc1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000612461222 848619905 /nfs/dbraw/zinc/61/99/05/848619905.db2.gz VHXLVVWUBGVCHL-HNNXBMFYSA-N 0 3 385.439 3.965 20 5 GHBDHN CCOC(=O)c1cc(NC2CCN([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000425227193 849841751 /nfs/dbraw/zinc/84/17/51/849841751.db2.gz AMJVRUQRHZWJNR-OAHLLOKOSA-N 0 3 398.463 3.804 20 5 GHBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487246304 850597783 /nfs/dbraw/zinc/59/77/83/850597783.db2.gz HQBXHYYGZVLRHU-HNNXBMFYSA-N 0 3 383.473 3.713 20 5 GHBDHN COc1ccc(CN2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000505253880 850760235 /nfs/dbraw/zinc/76/02/35/850760235.db2.gz IIZXTWRDYXUOPS-DAXSKMNVSA-N 0 3 381.476 3.825 20 5 GHBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436136530 851247178 /nfs/dbraw/zinc/24/71/78/851247178.db2.gz HPYXMCSVEAWRMX-HZPDHXFCSA-N 0 3 377.488 3.532 20 5 GHBDHN CC(C)(NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000488395560 851463967 /nfs/dbraw/zinc/46/39/67/851463967.db2.gz HHDVQIJDNSTWIR-SFHVURJKSA-N 0 3 396.491 3.794 20 5 GHBDHN CC(C)(NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000488395558 851464008 /nfs/dbraw/zinc/46/40/08/851464008.db2.gz HHDVQIJDNSTWIR-GOSISDBHSA-N 0 3 396.491 3.794 20 5 GHBDHN CCOc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000434739895 851606817 /nfs/dbraw/zinc/60/68/17/851606817.db2.gz UJDWLAYORMDUKG-UHFFFAOYSA-N 0 3 384.480 3.906 20 5 GHBDHN CCOc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000029178259 852584303 /nfs/dbraw/zinc/58/43/03/852584303.db2.gz QFKXTQXDXXBGIY-SFHVURJKSA-N 0 3 383.448 3.560 20 5 GHBDHN Cc1cc2ncn(C[C@H](O)CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2cc1C ZINC000490014563 852724641 /nfs/dbraw/zinc/72/46/41/852724641.db2.gz QRFDFNRZLJEGIK-HXUWFJFHSA-N 0 3 394.475 3.587 20 5 GHBDHN O=[N+]([O-])c1cc2c(cc1NC1(c3ccc(C(F)(F)F)cc3)COC1)CNC2 ZINC001168375824 852994379 /nfs/dbraw/zinc/99/43/79/852994379.db2.gz DIBPRTOAQDFREP-UHFFFAOYSA-N 0 3 379.338 3.554 20 5 GHBDHN Cc1cc2ncn(C[C@@H](O)CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c2cc1C ZINC000490848894 853308452 /nfs/dbraw/zinc/30/84/52/853308452.db2.gz XVTGDSJXXKANAA-FQEVSTJZSA-N 0 3 394.475 3.587 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000506110906 853447048 /nfs/dbraw/zinc/44/70/48/853447048.db2.gz XUOCCMGBFZLSCA-HNNXBMFYSA-N 0 3 379.526 3.947 20 5 GHBDHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000171586118 862495434 /nfs/dbraw/zinc/49/54/34/862495434.db2.gz PVYVZFOYCHDEKP-OAHLLOKOSA-N 0 3 393.484 3.599 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000588928653 854598329 /nfs/dbraw/zinc/59/83/29/854598329.db2.gz AGJIJXZAEXUAEE-CYBMUJFWSA-N 0 3 386.782 3.715 20 5 GHBDHN CCOC(=O)c1ccn(-c2cccc(CNCc3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000589206718 854749023 /nfs/dbraw/zinc/74/90/23/854749023.db2.gz MVZIPFUHFVFPMC-UHFFFAOYSA-N 0 3 394.431 3.555 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC2COCCOC2)cc1 ZINC000589938398 855193651 /nfs/dbraw/zinc/19/36/51/855193651.db2.gz QDXGRCRUVSFNBQ-UHFFFAOYSA-N 0 3 378.812 3.546 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCCc2cnc(SC3CCCC3)nc2)c(F)c1 ZINC000590196149 855317643 /nfs/dbraw/zinc/31/76/43/855317643.db2.gz YVDRVECBIXPWDY-UHFFFAOYSA-N 0 3 376.457 3.891 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000765844662 855493893 /nfs/dbraw/zinc/49/38/93/855493893.db2.gz HLMMMHWLOVULNJ-HZPDHXFCSA-N 0 3 393.237 3.504 20 5 GHBDHN COC(=O)c1c(Cl)c(NC[C@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000590570253 855494198 /nfs/dbraw/zinc/49/41/98/855494198.db2.gz XYLCEZCQNGDXPG-GFCCVEGCSA-N 0 3 383.857 3.811 20 5 GHBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000133783262 862691596 /nfs/dbraw/zinc/69/15/96/862691596.db2.gz RTVMNQYFHGLJGH-UHFFFAOYSA-N 0 3 393.896 3.667 20 5 GHBDHN O=C(CCN[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000591727658 856234269 /nfs/dbraw/zinc/23/42/69/856234269.db2.gz OCKQQGYYKAZCCG-QUCCMNQESA-N 0 3 387.411 3.572 20 5 GHBDHN C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000281010798 862801817 /nfs/dbraw/zinc/80/18/17/862801817.db2.gz OFVVYACAPLBKAJ-GFCCVEGCSA-N 0 3 380.491 3.551 20 5 GHBDHN CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000173061813 856710495 /nfs/dbraw/zinc/71/04/95/856710495.db2.gz LUISKABMEYGBOW-MRXNPFEDSA-N 0 3 381.354 3.646 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000245619297 857008356 /nfs/dbraw/zinc/00/83/56/857008356.db2.gz DRBFTGGEGHEYOX-QSFXBCCZSA-N 0 3 382.464 3.709 20 5 GHBDHN C[C@@]1(c2cccc(F)c2)CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000593041253 857195795 /nfs/dbraw/zinc/19/57/95/857195795.db2.gz PBRCOKWIKVDMIA-OAQYLSRUSA-N 0 3 399.422 3.696 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301742132 857507818 /nfs/dbraw/zinc/50/78/18/857507818.db2.gz YKXFLNMVJYBWSK-NSHDSACASA-N 0 3 393.793 3.932 20 5 GHBDHN CCN1CCN(c2cccc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000184884901 858187970 /nfs/dbraw/zinc/18/79/70/858187970.db2.gz LLUYGDFMEYKDGX-INIZCTEOSA-N 0 3 397.479 3.619 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCC(=O)N1CCc2ccccc21 ZINC000595020027 858353173 /nfs/dbraw/zinc/35/31/73/858353173.db2.gz UJLKVJZCWKXAHG-HNNXBMFYSA-N 0 3 383.448 3.624 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C2CCC(C)CC2)CC1 ZINC000115566987 858571668 /nfs/dbraw/zinc/57/16/68/858571668.db2.gz KRJOEMLSXRWPMR-UPTPFMHGSA-N 0 3 399.495 3.902 20 5 GHBDHN Cc1c(NC(=O)NC[C@@H]2CCN2C(C)(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000596889866 859128517 /nfs/dbraw/zinc/12/85/17/859128517.db2.gz ZHGBHFCFQUEHCE-LBPRGKRZSA-N 0 3 399.289 3.660 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@H](Oc3ncccc3C)C2)c([N+](=O)[O-])c1 ZINC001170354862 881393567 /nfs/dbraw/zinc/39/35/67/881393567.db2.gz QUCFMQASBLUVBM-APWZRJJASA-N 0 3 385.464 3.781 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1 ZINC000597011844 859223750 /nfs/dbraw/zinc/22/37/50/859223750.db2.gz FWLGKYLXRLQFEQ-JOCHJYFZSA-N 0 3 398.459 3.806 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000160844103 859268217 /nfs/dbraw/zinc/26/82/17/859268217.db2.gz ADKDOGIGNATFCD-HOTGVXAUSA-N 0 3 393.447 3.767 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000489396719 859369841 /nfs/dbraw/zinc/36/98/41/859369841.db2.gz DMIQEIWKMNIUIH-OXJNMPFZSA-N 0 3 384.480 3.875 20 5 GHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1(CO)CC1 ZINC000597255897 859378994 /nfs/dbraw/zinc/37/89/94/859378994.db2.gz QEVOLFZVCXATSF-UHFFFAOYSA-N 0 3 381.226 3.574 20 5 GHBDHN CSc1cccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000593336477 859449350 /nfs/dbraw/zinc/44/93/50/859449350.db2.gz HMBJOQYRCGIIJQ-FQEVSTJZSA-N 0 3 385.489 3.711 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1F ZINC000764454867 859454303 /nfs/dbraw/zinc/45/43/03/859454303.db2.gz AJFLDVOYXBLESB-UHFFFAOYSA-N 0 3 395.381 3.525 20 5 GHBDHN CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001127775670 859486057 /nfs/dbraw/zinc/48/60/57/859486057.db2.gz GIZVVHUGCWIPLL-BHIFYINESA-N 0 3 393.487 3.821 20 5 GHBDHN CCC[C@@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000483762769 859584974 /nfs/dbraw/zinc/58/49/74/859584974.db2.gz ZARKCBSBERTDRF-CTNGQTDRSA-N 0 3 394.475 3.864 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000598061902 860036960 /nfs/dbraw/zinc/03/69/60/860036960.db2.gz JMNZGGBYSSMUQX-UHFFFAOYSA-N 0 3 396.491 3.557 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](c3ccccc3)c3ccccn3)CC2)cn1 ZINC000602500289 860065682 /nfs/dbraw/zinc/06/56/82/860065682.db2.gz YHVYGNWDTHVXEA-QFIPXVFZSA-N 0 3 389.459 3.733 20 5 GHBDHN O=[N+]([O-])c1sc(CNC2CCN(c3ccccn3)CC2)cc1Br ZINC000602515563 860068220 /nfs/dbraw/zinc/06/82/20/860068220.db2.gz PSKDEGJJCSRNQZ-UHFFFAOYSA-N 0 3 397.298 3.572 20 5 GHBDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602563654 860116580 /nfs/dbraw/zinc/11/65/80/860116580.db2.gz FSZCAPHSRXOWCK-UQKYIBTBSA-N 0 3 395.344 3.588 20 5 GHBDHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000603589933 860876441 /nfs/dbraw/zinc/87/64/41/860876441.db2.gz QIVUJMPWVNARQW-CYBMUJFWSA-N 0 3 389.477 3.784 20 5 GHBDHN C[C@H]1[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000557039189 881610647 /nfs/dbraw/zinc/61/06/47/881610647.db2.gz YINXKOOYKZRZFS-QFBILLFUSA-N 0 3 381.476 3.652 20 5 GHBDHN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](N2CCCC2)C1 ZINC000444011953 863148265 /nfs/dbraw/zinc/14/82/65/863148265.db2.gz TWDHMZAXPPLHHE-HNNXBMFYSA-N 0 3 393.462 3.521 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)C[C@@H]3c3cccc(F)c3)o2)c1 ZINC000281628735 863293184 /nfs/dbraw/zinc/29/31/84/863293184.db2.gz HZSVJBRRSHVDLI-RBUKOAKNSA-N 0 3 397.406 3.739 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2CCO[C@@H]2C2CC2)cc1OC ZINC000494444331 881733393 /nfs/dbraw/zinc/73/33/93/881733393.db2.gz LQGLZJKKZFRNTN-GQWAEJPESA-N 0 3 378.469 3.685 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@@H]1CCOC1)c1ccccc1 ZINC000042183428 865499477 /nfs/dbraw/zinc/49/94/77/865499477.db2.gz ZCOYGQWZAYXFPN-SCLBCKFNSA-N 0 3 389.839 3.554 20 5 GHBDHN C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248741688 865684371 /nfs/dbraw/zinc/68/43/71/865684371.db2.gz MHVSKDCBSGOUFE-FCEWJHQRSA-N 0 3 383.448 3.679 20 5 GHBDHN COc1ccc([C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000192588983 881925540 /nfs/dbraw/zinc/92/55/40/881925540.db2.gz GERVFWVCYWBSSI-JLTOFOAXSA-N 0 3 383.448 3.980 20 5 GHBDHN COC(=O)COc1ccc(CN(C)Cc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000475552967 866250856 /nfs/dbraw/zinc/25/08/56/866250856.db2.gz NICJKSXAKUKGQX-UHFFFAOYSA-N 0 3 394.427 3.932 20 5 GHBDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183143256 866267577 /nfs/dbraw/zinc/26/75/77/866267577.db2.gz VVTPQYLINZNQMF-HNNXBMFYSA-N 0 3 393.447 3.687 20 5 GHBDHN CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456297074 866361478 /nfs/dbraw/zinc/36/14/78/866361478.db2.gz BVVWAHZPFCUBIY-QGZVFWFLSA-N 0 3 397.475 3.588 20 5 GHBDHN COC(=O)COc1ccc(CN(C)[C@@H](C)c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000475580345 866398001 /nfs/dbraw/zinc/39/80/01/866398001.db2.gz YHYHTFGSTGXBHL-INIZCTEOSA-N 0 3 386.448 3.956 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000478756705 866567581 /nfs/dbraw/zinc/56/75/81/866567581.db2.gz NDLUFYWTUITKOV-SFHVURJKSA-N 0 3 390.509 3.847 20 5 GHBDHN COc1cnccc1N1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000475615115 867409995 /nfs/dbraw/zinc/40/99/95/867409995.db2.gz JBZSSLOXDAZKCU-UHFFFAOYSA-N 0 3 394.431 3.581 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000462503020 869565871 /nfs/dbraw/zinc/56/58/71/869565871.db2.gz QJDJWVUXAIGVHI-PXNSSMCTSA-N 0 3 383.492 3.800 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000524837928 869641377 /nfs/dbraw/zinc/64/13/77/869641377.db2.gz WMWAMOJRQDHIRQ-NRFANRHFSA-N 0 3 398.507 3.828 20 5 GHBDHN CC[C@]1(O)CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000428436273 869656539 /nfs/dbraw/zinc/65/65/39/869656539.db2.gz FOGGHSAMWMISOI-NRFANRHFSA-N 0 3 386.448 3.529 20 5 GHBDHN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000441071925 870173489 /nfs/dbraw/zinc/17/34/89/870173489.db2.gz VWQJSXISSAIIQY-VGSWGCGISA-N 0 3 376.460 3.870 20 5 GHBDHN COCC[C@]1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000447057728 870933319 /nfs/dbraw/zinc/93/33/19/870933319.db2.gz QTGXTOVOHLTWJP-FQEVSTJZSA-N 0 3 390.411 3.811 20 5 GHBDHN C[C@H](c1ccc(Br)cc1)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169056378 871137547 /nfs/dbraw/zinc/13/75/47/871137547.db2.gz SLUCERKQWRLLSL-RKVPGOIHSA-N 0 3 396.329 3.573 20 5 GHBDHN C[C@H]1CN(c2cccc3cnccc32)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000447403453 871541243 /nfs/dbraw/zinc/54/12/43/871541243.db2.gz OVHMEYXNOILAJQ-KRWDZBQOSA-N 0 3 376.460 3.896 20 5 GHBDHN O=C1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000447583817 871883516 /nfs/dbraw/zinc/88/35/16/871883516.db2.gz COCXAJKNKMDFRM-ZHNGQKSSSA-N 0 3 391.471 3.719 20 5 GHBDHN COC(=O)[C@@H](C)CN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000508632481 882633233 /nfs/dbraw/zinc/63/32/33/882633233.db2.gz VEEOBMLBPNZXQV-ZDUSSCGKSA-N 0 3 388.420 3.637 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC001196124697 872909042 /nfs/dbraw/zinc/90/90/42/872909042.db2.gz OCGJOUCBMUGJJD-JCGIZDLHSA-N 0 3 389.496 3.946 20 5 GHBDHN COC(=O)COc1ccc(CN2CCC[C@@H](c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000475715528 882701910 /nfs/dbraw/zinc/70/19/10/882701910.db2.gz DGOJGVVKXIRRIS-LJQANCHMSA-N 0 3 398.459 3.916 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)CCC2 ZINC000192621300 882822383 /nfs/dbraw/zinc/82/23/83/882822383.db2.gz TXUUHFYOYWYZPF-YADHBBJMSA-N 0 3 381.476 3.635 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770014854 874405562 /nfs/dbraw/zinc/40/55/62/874405562.db2.gz HFWWKNCUYYTMPH-UHFFFAOYSA-N 0 3 394.834 3.983 20 5 GHBDHN COc1ccc(CN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](CO)C(C)C)cc1 ZINC000491328320 874476140 /nfs/dbraw/zinc/47/61/40/874476140.db2.gz GYWCBJADYNLHNT-HXUWFJFHSA-N 0 3 388.464 3.631 20 5 GHBDHN COc1cc(CN[C@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494694919 882836320 /nfs/dbraw/zinc/83/63/20/882836320.db2.gz BRLOZOXKFJRLAJ-ZBFHGGJFSA-N 0 3 392.402 3.968 20 5 GHBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000770446261 874689262 /nfs/dbraw/zinc/68/92/62/874689262.db2.gz SWKUBBLWLRHDJG-JJMMYFGJSA-N 0 3 395.459 3.570 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H](C)c2cccc(C3CC3)c2)cc1[N+](=O)[O-] ZINC000449351100 874747671 /nfs/dbraw/zinc/74/76/71/874747671.db2.gz OJZGJTUAMSECEG-CQSZACIVSA-N 0 3 384.432 3.875 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271744366 874997923 /nfs/dbraw/zinc/99/79/23/874997923.db2.gz QNOCVLBCKBROBN-OAHLLOKOSA-N 0 3 386.452 3.555 20 5 GHBDHN COc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000858227892 882959043 /nfs/dbraw/zinc/95/90/43/882959043.db2.gz SDHMWIVNQCKSCX-QGZVFWFLSA-N 0 3 391.468 3.625 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(Oc3cccnc3)c(F)c2)cc1 ZINC000776277608 876121727 /nfs/dbraw/zinc/12/17/27/876121727.db2.gz NFAFSRFWLPIBMO-IBGZPJMESA-N 0 3 383.379 3.744 20 5 GHBDHN CCNc1ccc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000610122078 877434859 /nfs/dbraw/zinc/43/48/59/877434859.db2.gz PZYQDRZUTVHTBH-QGZVFWFLSA-N 0 3 396.491 3.763 20 5 GHBDHN C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192739741 877509265 /nfs/dbraw/zinc/50/92/65/877509265.db2.gz WRDZNHCTILEOQW-FTRWYGJKSA-N 0 3 383.448 3.679 20 5 GHBDHN Nc1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000787893852 877722301 /nfs/dbraw/zinc/72/23/01/877722301.db2.gz CBFFRCJWMUASCS-UHFFFAOYSA-N 0 3 394.397 3.908 20 5 GHBDHN C[C@@H]1Cc2ccccc2N1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586606 878263037 /nfs/dbraw/zinc/26/30/37/878263037.db2.gz GFGWSLCRCKTTEY-OPAMFIHVSA-N 0 3 381.476 3.544 20 5 GHBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000537854475 878435463 /nfs/dbraw/zinc/43/54/63/878435463.db2.gz DMZWBADVFXIPOX-MRXNPFEDSA-N 0 3 381.354 3.704 20 5 GHBDHN C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000461265340 879478326 /nfs/dbraw/zinc/47/83/26/879478326.db2.gz QYENMWZWYMOXQL-SFHVURJKSA-N 0 3 395.503 3.597 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@H]2CCC[C@]2(C)CO)cc1OC ZINC000493573858 879527142 /nfs/dbraw/zinc/52/71/42/879527142.db2.gz QWWXZZSUHJPDHY-PNHOKKKMSA-N 0 3 380.485 3.669 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000494060063 879866865 /nfs/dbraw/zinc/86/68/65/879866865.db2.gz KVGDRXZZWCQSDU-KXBFYZLASA-N 0 3 394.475 3.562 20 5 GHBDHN C[C@]1(Br)C[C@H]1CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC001183532187 912641071 /nfs/dbraw/zinc/64/10/71/912641071.db2.gz BVWYJOVGADHAPB-CABZTGNLSA-N 0 3 378.064 3.620 20 5 GHBDHN COc1cccc(CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)c1 ZINC000064400150 883294756 /nfs/dbraw/zinc/29/47/56/883294756.db2.gz JIGCLFMNQIGGRS-NRFANRHFSA-N 0 3 386.448 3.663 20 5 GHBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000609530799 883320238 /nfs/dbraw/zinc/32/02/38/883320238.db2.gz GDNRTOJKWRSGBG-LJQANCHMSA-N 0 3 396.491 3.811 20 5 GHBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609859879 883741812 /nfs/dbraw/zinc/74/18/12/883741812.db2.gz PMSSEOUPAIWRBZ-UHFFFAOYSA-N 0 3 397.809 3.730 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000494966174 884300529 /nfs/dbraw/zinc/30/05/29/884300529.db2.gz LXWSZZCTZIWOOZ-MRXNPFEDSA-N 0 3 377.510 3.652 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000843795177 884565267 /nfs/dbraw/zinc/56/52/67/884565267.db2.gz DQGPLLKOVHQKPR-UHFFFAOYSA-N 0 3 395.500 3.524 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000556886099 886464005 /nfs/dbraw/zinc/46/40/05/886464005.db2.gz NFFIZBMPNVQFEM-ZAAXVRCTSA-N 0 3 380.448 3.912 20 5 GHBDHN CCN1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000487976353 886724782 /nfs/dbraw/zinc/72/47/82/886724782.db2.gz DLYNUQHGEMLVSL-QGZVFWFLSA-N 0 3 396.491 3.536 20 5 GHBDHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000809914244 887937525 /nfs/dbraw/zinc/93/75/25/887937525.db2.gz BWTCSBPXSFQAEY-HNNXBMFYSA-N 0 3 392.843 3.681 20 5 GHBDHN C[C@H](c1ccncc1)N1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488089196 888834058 /nfs/dbraw/zinc/83/40/58/888834058.db2.gz MSHLWYSHSFIRSD-OAHLLOKOSA-N 0 3 377.448 3.597 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccccc2)CCN(C)C)c1 ZINC000916385179 888951375 /nfs/dbraw/zinc/95/13/75/888951375.db2.gz ZTQFRPJSYJHTCL-UHFFFAOYSA-N 0 3 387.505 3.563 20 5 GHBDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000130230254 889493590 /nfs/dbraw/zinc/49/35/90/889493590.db2.gz WPRGGMJWSFECHK-UXHICEINSA-N 0 3 386.448 3.607 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000868812323 889607816 /nfs/dbraw/zinc/60/78/16/889607816.db2.gz AKQVCIIAMMFMAL-UHFFFAOYSA-N 0 3 398.463 3.518 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C)c(C)c2)CC1 ZINC000067025523 891158479 /nfs/dbraw/zinc/15/84/79/891158479.db2.gz QSLXYJJYKUFEGE-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN Cc1cc(-c2cc(C(=O)OCC(C)[N+](=O)[O-])c3cnn(C(C)C)c3n2)c(C)o1 ZINC000813105285 891301844 /nfs/dbraw/zinc/30/18/44/891301844.db2.gz LKBIPKLKVZXNNX-LLVKDONJSA-N 0 3 386.408 3.711 20 5 GHBDHN CC(COC(=O)c1ccccc1OCc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813109801 891302707 /nfs/dbraw/zinc/30/27/07/891302707.db2.gz PAVYOESHPOCLHI-GFCCVEGCSA-N 0 3 394.221 3.850 20 5 GHBDHN CC(COC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC000813112056 891305324 /nfs/dbraw/zinc/30/53/24/891305324.db2.gz MURVIFKIQXUBCS-NSHDSACASA-N 0 3 375.768 3.608 20 5 GHBDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000497569102 891911830 /nfs/dbraw/zinc/91/18/30/891911830.db2.gz DDBDNKFDISQSTM-OAHLLOKOSA-N 0 3 384.436 3.945 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000026345607 891940529 /nfs/dbraw/zinc/94/05/29/891940529.db2.gz FGFVIRAUNAKOTK-SFHVURJKSA-N 0 3 387.411 3.908 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000026345604 891940699 /nfs/dbraw/zinc/94/06/99/891940699.db2.gz FGFVIRAUNAKOTK-GOSISDBHSA-N 0 3 387.411 3.908 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccccc2)C[C@H](O)c2ccsc2)c1 ZINC000154442535 892185949 /nfs/dbraw/zinc/18/59/49/892185949.db2.gz CAYHKMPFIHHSQW-RTWAWAEBSA-N 0 3 398.484 3.926 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000814175765 892330659 /nfs/dbraw/zinc/33/06/59/892330659.db2.gz JSJUXAQOVBCLGL-AEFFLSMTSA-N 0 3 375.469 3.735 20 5 GHBDHN CCc1ccc([C@H]2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000814225762 892417388 /nfs/dbraw/zinc/41/73/88/892417388.db2.gz WPAADPOYDUYPEY-IBGZPJMESA-N 0 3 377.448 3.863 20 5 GHBDHN O=C(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000192469151 892499008 /nfs/dbraw/zinc/49/90/08/892499008.db2.gz NZLDMVRRSSSSFB-UHFFFAOYSA-N 0 3 399.422 3.657 20 5 GHBDHN Cc1ccc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000876172477 893001743 /nfs/dbraw/zinc/00/17/43/893001743.db2.gz WTPXIZSIJBOBTG-UHFFFAOYSA-N 0 3 396.491 3.709 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000747978780 893191955 /nfs/dbraw/zinc/19/19/55/893191955.db2.gz GQEKGGKNINULPY-UHFFFAOYSA-N 0 3 389.883 3.885 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000508777820 893315889 /nfs/dbraw/zinc/31/58/89/893315889.db2.gz JVGUMVXEUHWLAB-GOSISDBHSA-N 0 3 393.365 3.988 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459668032 894029571 /nfs/dbraw/zinc/02/95/71/894029571.db2.gz SZRKQVROWWWVOR-INIZCTEOSA-N 0 3 388.386 3.655 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000564120252 894620291 /nfs/dbraw/zinc/62/02/91/894620291.db2.gz LGDXURAUDIKVAA-HZPDHXFCSA-N 0 3 387.505 3.712 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000565444620 895630591 /nfs/dbraw/zinc/63/05/91/895630591.db2.gz LBESVWDUGQEBIP-SJLPKXTDSA-N 0 3 382.464 3.996 20 5 GHBDHN O=C1CCCN1C1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000104730199 898160161 /nfs/dbraw/zinc/16/01/61/898160161.db2.gz UDIPNARULKYEDQ-UHFFFAOYSA-N 0 3 376.456 3.533 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])c1 ZINC000118840139 899481415 /nfs/dbraw/zinc/48/14/15/899481415.db2.gz RIPQNEIBAGWTNB-LJQANCHMSA-N 0 3 386.452 3.622 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(N)c2F)N(C)C)cc1 ZINC000570716813 899529015 /nfs/dbraw/zinc/52/90/15/899529015.db2.gz NOSPRHDPVWZLPX-QGZVFWFLSA-N 0 3 376.432 3.818 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000571465633 899877867 /nfs/dbraw/zinc/87/78/67/899877867.db2.gz XDQQLYCLACCQPU-UWJYYQICSA-N 0 3 381.476 3.960 20 5 GHBDHN COc1ccc(C[C@H]2CCCCN2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)cc1 ZINC000844738882 901217234 /nfs/dbraw/zinc/21/72/34/901217234.db2.gz RNNSTIOABNMMHK-QGZVFWFLSA-N 0 3 395.463 3.711 20 5 GHBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000577012927 902432562 /nfs/dbraw/zinc/43/25/62/902432562.db2.gz AWHNAPRKENXQNR-QFBILLFUSA-N 0 3 379.460 3.889 20 5 GHBDHN CCO[C@H](C)c1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845874833 902477986 /nfs/dbraw/zinc/47/79/86/902477986.db2.gz IUNPCAKRLGLDMU-UEKVPHQBSA-N 0 3 382.413 3.943 20 5 GHBDHN CC([C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1F)[N+](=O)[O-] ZINC000845874834 902478083 /nfs/dbraw/zinc/47/80/83/902478083.db2.gz IXOYRXGWNASTLV-KPZWWZAWSA-N 0 3 376.340 3.616 20 5 GHBDHN CC([C@H](OC(=O)CCCc1nc(C(C)(C)C)no1)c1ccccc1F)[N+](=O)[O-] ZINC000845879594 902482468 /nfs/dbraw/zinc/48/24/68/902482468.db2.gz YAAWHMPTZDBPDC-SJCJKPOMSA-N 0 3 393.415 3.779 20 5 GHBDHN Cn1c(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2cc(Cl)ccc21 ZINC000779068687 903813639 /nfs/dbraw/zinc/81/36/39/903813639.db2.gz AYDQTOKZBNMJHK-UHFFFAOYSA-N 0 3 399.882 3.894 20 5 GHBDHN CCC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151903169 904211898 /nfs/dbraw/zinc/21/18/98/904211898.db2.gz OEHCDFAOLJUWRK-IFXJQAMLSA-N 0 3 391.493 3.695 20 5 GHBDHN O=[N+]([O-])c1ccc(CN2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000365805664 921176327 /nfs/dbraw/zinc/17/63/27/921176327.db2.gz MMFLSXBBRCQMDA-UHFFFAOYSA-N 0 3 399.329 3.625 20 5 GHBDHN COc1cc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc(Cl)c1[O-] ZINC001172901671 905923716 /nfs/dbraw/zinc/92/37/16/905923716.db2.gz IZUKEGAQEZAZLV-OAHLLOKOSA-N 0 3 376.840 4.000 20 5 GHBDHN COCC[C@@H]1CO[C@@]2(C1)CCCN([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172908996 905944050 /nfs/dbraw/zinc/94/40/50/905944050.db2.gz QHKJDJXPCQCSPW-UCNVEGJOSA-N 0 3 388.508 3.750 20 5 GHBDHN COc1ccccc1CN1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914152 905986964 /nfs/dbraw/zinc/98/69/64/905986964.db2.gz DFCLJAJZKLPOSI-OAQYLSRUSA-N 0 3 395.503 3.669 20 5 GHBDHN CC(=O)c1ccc(N2CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172915549 905989175 /nfs/dbraw/zinc/98/91/75/905989175.db2.gz OXMXJFOKBPCGBN-QFIPXVFZSA-N 0 3 393.487 3.867 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3noc4ccccc43)CC2)c(F)c1 ZINC001173010660 906087056 /nfs/dbraw/zinc/08/70/56/906087056.db2.gz ZQCNMVNDQPYZGG-UHFFFAOYSA-N 0 3 388.374 3.773 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccc(Br)cn2)c1F ZINC001173177239 906254607 /nfs/dbraw/zinc/25/46/07/906254607.db2.gz RYHBPVNRDFUMCQ-SNVBAGLBSA-N 0 3 398.232 3.621 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001173220765 906297267 /nfs/dbraw/zinc/29/72/67/906297267.db2.gz CFSGBYMTAXMOBA-FOIQADDNSA-N 0 3 375.469 3.611 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001173220847 906298050 /nfs/dbraw/zinc/29/80/50/906298050.db2.gz DAQCICMIRNQVCO-CVEARBPZSA-N 0 3 377.485 3.857 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001173228480 906312981 /nfs/dbraw/zinc/31/29/81/906312981.db2.gz XMGBIRPBFLHPEJ-CYBMUJFWSA-N 0 3 376.844 3.513 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001173237148 906348307 /nfs/dbraw/zinc/34/83/07/906348307.db2.gz IKZKDVDBDUBZAW-OXJNMPFZSA-N 0 3 379.460 3.646 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181208883 906945407 /nfs/dbraw/zinc/94/54/07/906945407.db2.gz LIPYGKQQWQKOTB-OXJNMPFZSA-N 0 3 383.448 3.599 20 5 GHBDHN CCN1CCN(c2ccc(-n3c4ccccc4cc4c(=O)c(N)ccc3-4)cc2)CC1 ZINC001175782512 907744327 /nfs/dbraw/zinc/74/43/27/907744327.db2.gz RGKRRHNIQMMVCW-UHFFFAOYSA-N 0 3 398.510 3.820 20 5 GHBDHN CCOC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000189797550 908376636 /nfs/dbraw/zinc/37/66/36/908376636.db2.gz LKBUGOMTWCLJFO-IAQYHMDHSA-N 0 3 391.390 3.591 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000193675105 908621969 /nfs/dbraw/zinc/62/19/69/908621969.db2.gz XVQKKRRYNOYBOL-SFHVURJKSA-N 0 3 391.855 3.863 20 5 GHBDHN COC[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000193682750 908622621 /nfs/dbraw/zinc/62/26/21/908622621.db2.gz YTWPTMONIJILGG-KRWDZBQOSA-N 0 3 391.855 3.863 20 5 GHBDHN CC(C)c1[n-]nc(C(=O)Nc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001177616364 908670911 /nfs/dbraw/zinc/67/09/11/908670911.db2.gz QJSNRTRUHKZAPY-UHFFFAOYSA-N 0 3 399.373 3.774 20 5 GHBDHN CC(C)c1[nH]nc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001177616364 908670915 /nfs/dbraw/zinc/67/09/15/908670915.db2.gz QJSNRTRUHKZAPY-UHFFFAOYSA-N 0 3 399.373 3.774 20 5 GHBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000194504141 908948580 /nfs/dbraw/zinc/94/85/80/908948580.db2.gz PBFHRWMHLYDECK-UHFFFAOYSA-N 0 3 385.489 3.747 20 5 GHBDHN COc1cc(C[NH2+]C[C@@H](Cc2ccccc2)c2ccccn2)c([N+](=O)[O-])cc1[O-] ZINC001179822794 909773892 /nfs/dbraw/zinc/77/38/92/909773892.db2.gz VSAPVIGPAIGUDJ-QGZVFWFLSA-N 0 3 393.443 3.820 20 5 GHBDHN CCC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1CCOC ZINC001179979774 909847010 /nfs/dbraw/zinc/84/70/10/909847010.db2.gz JUBFVVCIBGTMBW-MRXNPFEDSA-N 0 3 389.418 3.546 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1cc(Br)cnc1F ZINC001180350376 910090302 /nfs/dbraw/zinc/09/03/02/910090302.db2.gz ZPSZSXWNYPFKJC-UHFFFAOYSA-N 0 3 388.624 3.877 20 5 GHBDHN C[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000270116390 910446858 /nfs/dbraw/zinc/44/68/58/910446858.db2.gz NSLXBNBBFHLCAU-HJFSHJIFSA-N 0 3 398.488 3.584 20 5 GHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000291581829 915260969 /nfs/dbraw/zinc/26/09/69/915260969.db2.gz OWVOCVAXZRESRW-ZBEGNZNMSA-N 0 3 389.279 3.559 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292780765 915842187 /nfs/dbraw/zinc/84/21/87/915842187.db2.gz MOOPYGVUFWMZKA-UHFFFAOYSA-N 0 3 381.354 3.605 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000295782941 917491530 /nfs/dbraw/zinc/49/15/30/917491530.db2.gz CRCUXYZHXOYICH-UHFFFAOYSA-N 0 3 380.404 3.522 20 5 GHBDHN CCOc1cc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC001191909327 918266981 /nfs/dbraw/zinc/26/69/81/918266981.db2.gz GGTWIVJJEJPXER-FQEVSTJZSA-N 0 3 393.484 3.777 20 5 GHBDHN CC(C)(C)OC(=O)Nc1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000800236101 919743220 /nfs/dbraw/zinc/74/32/20/919743220.db2.gz QEIOSJCMLLDHCT-UHFFFAOYSA-N 0 3 394.453 3.567 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000800396354 920025316 /nfs/dbraw/zinc/02/53/16/920025316.db2.gz WXALJQAKLZOYGH-CVEARBPZSA-N 0 3 393.237 3.504 20 5 GHBDHN CSc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000010050370 923776783 /nfs/dbraw/zinc/77/67/83/923776783.db2.gz HVFMCXOCQUUEFF-GOSISDBHSA-N 0 3 385.489 3.884 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CN3CCC(c4ncc(C(F)(F)F)[nH]4)CC3)nc2c1 ZINC000370227024 923973231 /nfs/dbraw/zinc/97/32/31/923973231.db2.gz HMPJAWPESRLMRX-UHFFFAOYSA-N 0 3 395.341 3.858 20 5 GHBDHN O=C1OCCN1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000827740634 925942394 /nfs/dbraw/zinc/94/23/94/925942394.db2.gz FBFZZOYYQOJCFH-UHFFFAOYSA-N 0 3 387.461 3.740 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2sccc2[C@H]1C ZINC000411144505 926120664 /nfs/dbraw/zinc/12/06/64/926120664.db2.gz KAEYMTLLJPQLAA-GFCCVEGCSA-N 0 3 375.450 3.613 20 5 GHBDHN CSCC[C@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000133283849 926171359 /nfs/dbraw/zinc/17/13/59/926171359.db2.gz VWMZVBXHGYAJFI-OAHLLOKOSA-N 0 3 380.441 3.730 20 5 GHBDHN Cc1c(NC(=O)CCN2CCC(F)(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000375278749 928116752 /nfs/dbraw/zinc/11/67/52/928116752.db2.gz CXIKJPIGDBFQFI-UHFFFAOYSA-N 0 3 386.427 3.588 20 5 GHBDHN CN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000758268953 929996312 /nfs/dbraw/zinc/99/63/12/929996312.db2.gz VAOIUOJAUGVYCG-XLIONFOSSA-N 0 3 384.411 3.893 20 5 GHBDHN Cc1cccc2nc(C3CCN(C[C@H](O)c4ccc([N+](=O)[O-])cc4)CC3)oc21 ZINC000781994352 931055343 /nfs/dbraw/zinc/05/53/43/931055343.db2.gz DAQZOSRIRVSGJF-IBGZPJMESA-N 0 3 381.432 3.957 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC000557930449 931760188 /nfs/dbraw/zinc/76/01/88/931760188.db2.gz JQBZWNMPSTUGTF-BEFAXECRSA-N 0 3 390.443 3.536 20 5 GHBDHN COC[C@@]1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC000797122229 932192032 /nfs/dbraw/zinc/19/20/32/932192032.db2.gz CJNQEXVDBZRMMI-QRWLVFNGSA-N 0 3 393.484 3.662 20 5 GHBDHN CO[C@@H](CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC001118630185 934212645 /nfs/dbraw/zinc/21/26/45/934212645.db2.gz YTDBTORACKZNHS-SGTLLEGYSA-N 0 3 380.828 3.649 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000561650690 934338127 /nfs/dbraw/zinc/33/81/27/934338127.db2.gz BURPHEXSALOEGM-HXUWFJFHSA-N 0 3 385.464 3.723 20 5 GHBDHN Cc1c(CC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000561652391 934338385 /nfs/dbraw/zinc/33/83/85/934338385.db2.gz YYAZJEHKWDBJRR-NRFANRHFSA-N 0 3 399.491 3.652 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1Cc2ccccc2OC(C)(C)C1 ZINC000561794373 934457553 /nfs/dbraw/zinc/45/75/53/934457553.db2.gz ZRYRDEBNXWWINE-UHFFFAOYSA-N 0 3 383.448 3.905 20 5 GHBDHN Cc1cc(F)cc(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000778069653 934831216 /nfs/dbraw/zinc/83/12/16/934831216.db2.gz BRSITPKHVVPOJG-OAQYLSRUSA-N 0 3 385.439 3.827 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000468618099 1015850187 /nfs/dbraw/zinc/85/01/87/1015850187.db2.gz JUBVKXYKQDRIFI-XETPBLJFSA-N 0 3 387.386 3.671 20 5 GHBDHN C[C@H](N[C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000564415247 1019071861 /nfs/dbraw/zinc/07/18/61/1019071861.db2.gz QZQCUTJWKLAUTO-YWZLYKJASA-N 0 3 395.459 3.606 20 5 GHBDHN C[C@@H](C(=O)N(Cc1ccccc1)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000577158140 1020138633 /nfs/dbraw/zinc/13/86/33/1020138633.db2.gz MNIQLTYFLCSNRI-QGZVFWFLSA-N 0 3 381.476 3.821 20 5 GHBDHN Cc1ccc([C@H](C)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1[N+](=O)[O-] ZINC000834904776 1021656320 /nfs/dbraw/zinc/65/63/20/1021656320.db2.gz PXVIABWLFRJKPX-DOTOQJQBSA-N 0 3 393.484 3.580 20 5 GHBDHN CN(Cc1ccc(Br)c(F)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755192409 1023117952 /nfs/dbraw/zinc/11/79/52/1023117952.db2.gz BMZHLQHSJRJYJK-MRXNPFEDSA-N 0 3 383.217 3.662 20 5 GHBDHN Cc1cc([C@H](N)CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(Cl)n1 ZINC000831428100 1024557109 /nfs/dbraw/zinc/55/71/09/1024557109.db2.gz ZKRTUWLMSRXEBF-MRXNPFEDSA-N 0 3 388.855 3.533 20 5 GHBDHN O=[N+]([O-])c1cccc(CNC2(CO)C3CC4CC(C3)CC2C4)c1Br ZINC000839650876 1026170180 /nfs/dbraw/zinc/17/01/80/1026170180.db2.gz WRUHDRLHGBZPIY-UHFFFAOYSA-N 0 3 395.297 3.634 20 5 GHBDHN O=C(CN1CCN(Cc2c3ccccc3cc3ccccc32)CC1)N1CCCC1 ZINC001141727687 1026359541 /nfs/dbraw/zinc/35/95/41/1026359541.db2.gz CCXHRYNZUHSZOX-UHFFFAOYSA-N 0 3 387.527 3.733 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC001141775928 1027217864 /nfs/dbraw/zinc/21/78/64/1027217864.db2.gz XHUQPKKEJCBCFE-LPHOPBHVSA-N 0 3 397.475 3.775 20 5 GHBDHN CCOC(=O)C1CCN(Cc2cccc(Nc3ccc(N)c([N+](=O)[O-])c3)c2)CC1 ZINC001209938573 1027287356 /nfs/dbraw/zinc/28/73/56/1027287356.db2.gz ZNZBWEWCBNDBMW-UHFFFAOYSA-N 0 3 398.463 3.696 20 5 GHBDHN Cc1ccc(CN2CCO[C@H](CNCc3c(C)ccc([N+](=O)[O-])c3C)C2)cc1 ZINC001203403734 1027315156 /nfs/dbraw/zinc/31/51/56/1027315156.db2.gz YKZQGUQPTOVJDW-HXUWFJFHSA-N 0 3 383.492 3.511 20 5 GHBDHN CN(C)Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])c(F)c(F)c3F)n2)cc1 ZINC001216716428 1029903198 /nfs/dbraw/zinc/90/31/98/1029903198.db2.gz IXJGOBRYKIDOMR-UHFFFAOYSA-N 0 3 378.310 3.791 20 5 GHBDHN CO[C@](C)(CO)CNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001461605596 1069637175 /nfs/dbraw/zinc/63/71/75/1069637175.db2.gz KGDOFWNFSSOEED-IBGZPJMESA-N 0 3 376.478 3.541 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225846430 1031648646 /nfs/dbraw/zinc/64/86/46/1031648646.db2.gz MOJMTBXIKMCMGT-LRDDRELGSA-N 0 3 381.354 3.908 20 5 GHBDHN CN(C)C[C@@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001205641678 1033507379 /nfs/dbraw/zinc/50/73/79/1033507379.db2.gz QBMFDNPGOAXSJV-OAHLLOKOSA-N 0 3 380.807 3.812 20 5 GHBDHN CCOc1nc(N(Cc2ccc(F)cc2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001158449056 1034083679 /nfs/dbraw/zinc/08/36/79/1034083679.db2.gz OGXNEOZXCNYERE-UHFFFAOYSA-N 0 3 388.443 3.628 20 5 GHBDHN O=[N+]([O-])c1ccc2ccnc(NC3CCN(Cc4ccc(O)cc4)CC3)c2c1 ZINC001161137380 1035155657 /nfs/dbraw/zinc/15/56/57/1035155657.db2.gz RZFXPRGTVJYVKE-UHFFFAOYSA-N 0 3 378.432 3.925 20 5 GHBDHN O=[N+]([O-])c1cccc2nc(NCC3CCN(Cc4ccccn4)CC3)ccc21 ZINC001161243471 1035190465 /nfs/dbraw/zinc/19/04/65/1035190465.db2.gz POSKGYKBXFEFQA-UHFFFAOYSA-N 0 3 377.448 3.862 20 5 GHBDHN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001248635545 1036015050 /nfs/dbraw/zinc/01/50/50/1036015050.db2.gz GPBCDMGGMHYLOK-ZWKOTPCHSA-N 0 3 396.491 3.819 20 5 GHBDHN C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233506101 1039396382 /nfs/dbraw/zinc/39/63/82/1039396382.db2.gz LWCLQUVODNTGGS-NWDGAFQWSA-N 0 3 387.827 3.734 20 5 GHBDHN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233506101 1039396401 /nfs/dbraw/zinc/39/64/01/1039396401.db2.gz LWCLQUVODNTGGS-NWDGAFQWSA-N 0 3 387.827 3.734 20 5 GHBDHN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccccc3)C2)c2ncccc12 ZINC001233903003 1039693761 /nfs/dbraw/zinc/69/37/61/1039693761.db2.gz ZKOUJFVESLBMAS-HNNXBMFYSA-N 0 3 394.387 3.705 20 5 GHBDHN C[C@H](c1ccccc1)N1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479517 1040267335 /nfs/dbraw/zinc/26/73/35/1040267335.db2.gz CXTUBXZXTUMZMA-LJQANCHMSA-N 0 3 394.519 3.942 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001254547020 1040314670 /nfs/dbraw/zinc/31/46/70/1040314670.db2.gz BWFWOTFKVQRGGR-CYBMUJFWSA-N 0 3 381.388 3.699 20 5 GHBDHN COc1cc(N2CCC(NCc3c(F)ccc(C)c3F)CC2)ccc1[N+](=O)[O-] ZINC001256086008 1041516134 /nfs/dbraw/zinc/51/61/34/1041516134.db2.gz UQEIVHWPDJMZSG-UHFFFAOYSA-N 0 3 391.418 3.949 20 5 GHBDHN COc1cc(N2CCC(NCc3cccc(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC001256087605 1041517124 /nfs/dbraw/zinc/51/71/24/1041517124.db2.gz GZBGAEGPVPVGEE-UHFFFAOYSA-N 0 3 377.391 3.640 20 5 GHBDHN C[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1nc2ccccc2n1C(F)F ZINC001462690372 1070473730 /nfs/dbraw/zinc/47/37/30/1070473730.db2.gz OKEVQRMLDFFNRT-VOMCLLRMSA-N 0 3 376.367 3.590 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001292110060 1043597181 /nfs/dbraw/zinc/59/71/81/1043597181.db2.gz QYBNSEUKGQECBA-WMLDXEAASA-N 0 3 387.867 3.742 20 5 GHBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001278981639 1043784198 /nfs/dbraw/zinc/78/41/98/1043784198.db2.gz GKCMXMAQUSEULL-SFHVURJKSA-N 0 3 396.491 3.810 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(CCN2CCCC2)c2ccccc2)c1 ZINC001293771749 1044326853 /nfs/dbraw/zinc/32/68/53/1044326853.db2.gz ZAUXOBBJOOQFSV-UHFFFAOYSA-N 0 3 397.475 3.801 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001294803980 1044800953 /nfs/dbraw/zinc/80/09/53/1044800953.db2.gz NQVOSIDFHMQWMO-APWZRJJASA-N 0 3 397.475 3.775 20 5 GHBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)CCCC2 ZINC000609450973 1047426681 /nfs/dbraw/zinc/42/66/81/1047426681.db2.gz FEGBQCXQOYROKB-YCRPNKLZSA-N 0 3 379.460 3.930 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)N[C@@]23CCN(C2)CCC3)cc1[N+](=O)[O-] ZINC001288004156 1048966534 /nfs/dbraw/zinc/96/65/34/1048966534.db2.gz MMDBGWSYPUNESH-IBGZPJMESA-N 0 3 377.510 3.701 20 5 GHBDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC001307745962 1049558183 /nfs/dbraw/zinc/55/81/83/1049558183.db2.gz FMGOQDKAPKDPJF-IIYDPXPESA-N 0 3 381.448 3.858 20 5 GHBDHN C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001308004954 1049754158 /nfs/dbraw/zinc/75/41/58/1049754158.db2.gz FJMZZOAPASJCOW-LJQANCHMSA-N 0 3 393.846 3.646 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001290312885 1049798929 /nfs/dbraw/zinc/79/89/29/1049798929.db2.gz VBOVMWSLFVTTTN-OAQYLSRUSA-N 0 3 393.487 3.970 20 5 GHBDHN COc1ccc(NC(=O)CN[C@@H]2CCc3cccc4cccc2c43)c([N+](=O)[O-])c1 ZINC001308092410 1049839733 /nfs/dbraw/zinc/83/97/33/1049839733.db2.gz IGQLXSFAIUYCSF-GOSISDBHSA-N 0 3 391.427 3.972 20 5 GHBDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001308432905 1049975014 /nfs/dbraw/zinc/97/50/14/1049975014.db2.gz DJPGMASBHNQYAE-DOTOQJQBSA-N 0 3 394.855 3.652 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001308443899 1049977945 /nfs/dbraw/zinc/97/79/45/1049977945.db2.gz CHXZGSPHHRHIHF-SJORKVTESA-N 0 3 393.484 3.775 20 5 GHBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@H](O)[C@@H](C)O)cc2[N+](=O)[O-])c1 ZINC001308479610 1049985690 /nfs/dbraw/zinc/98/56/90/1049985690.db2.gz OCAHILQAXBPILO-DNVCBOLYSA-N 0 3 388.464 3.650 20 5 GHBDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001308532581 1050000677 /nfs/dbraw/zinc/00/06/77/1050000677.db2.gz ANPYGGXMDGTYGZ-SJLPKXTDSA-N 0 3 392.839 3.934 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(OC(F)F)cc1F ZINC001308901586 1050150219 /nfs/dbraw/zinc/15/02/19/1050150219.db2.gz JRGAKPIGOPTOSN-LLVKDONJSA-N 0 3 397.353 3.842 20 5 GHBDHN COc1ccc(NC(=O)CCN(C)Cc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC001334842967 1051989440 /nfs/dbraw/zinc/98/94/40/1051989440.db2.gz AFXWFCWCUBRQBO-UHFFFAOYSA-N 0 3 382.420 3.545 20 5 GHBDHN CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001355531344 1057197793 /nfs/dbraw/zinc/19/77/93/1057197793.db2.gz XWXDUBHUEVZCLX-FQEVSTJZSA-N 0 3 399.466 3.790 20 5 GHBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001341816139 1060907341 /nfs/dbraw/zinc/90/73/41/1060907341.db2.gz RYZRFNQJIIWSJV-HIFRSBDPSA-N 0 3 377.828 3.513 20 5 GHBDHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001438565250 1064070221 /nfs/dbraw/zinc/07/02/21/1064070221.db2.gz SLQIKDMCOIIVQJ-BHIFYINESA-N 0 3 393.487 3.869 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001464141811 1064854556 /nfs/dbraw/zinc/85/45/56/1064854556.db2.gz ROZMGMRTFCDNIZ-GBESFXJTSA-N 0 3 387.505 3.959 20 5 GHBDHN CN(C)CCN(CC1CCCCC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001464473712 1065031744 /nfs/dbraw/zinc/03/17/44/1065031744.db2.gz CRSPFYXSVWVJSQ-UHFFFAOYSA-N 0 3 381.904 3.761 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001466376543 1066122054 /nfs/dbraw/zinc/12/20/54/1066122054.db2.gz OHVRLLBYUVJJQN-CRAIPNDOSA-N 0 3 398.463 3.778 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](c2ccccc2)CC1 ZINC001460944521 1069289923 /nfs/dbraw/zinc/28/99/23/1069289923.db2.gz DMJDTTMUCIONJT-FQEVSTJZSA-N 0 3 383.448 3.695 20 5 GHBDHN C[C@@H](NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001471321603 1073017985 /nfs/dbraw/zinc/01/79/85/1073017985.db2.gz LZJMLYZHPLESKM-ZWKOTPCHSA-N 0 3 396.491 3.962 20 5 GHBDHN CC(C)N1CCN(c2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)CC1 ZINC001472750097 1073648114 /nfs/dbraw/zinc/64/81/14/1073648114.db2.gz NBSWJYIHFMDVAS-UHFFFAOYSA-N 0 3 385.424 3.777 20 5 GHBDHN C[C@]1(c2cccc(F)c2)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001473615538 1074050022 /nfs/dbraw/zinc/05/00/22/1074050022.db2.gz DLQOFDYSAGQNPR-FQEVSTJZSA-N 0 3 389.402 3.865 20 5 GHBDHN Cc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164728515 720354712 /nfs/dbraw/zinc/35/47/12/720354712.db2.gz VYTZQSUTCFXIRU-RTWAWAEBSA-N 0 3 389.459 3.700 20 5 GHBDHN Cn1cc(N2CCC[C@H](N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000180636832 837402061 /nfs/dbraw/zinc/40/20/61/837402061.db2.gz HAGMKMLSLMYARR-UGKGYDQZSA-N 0 3 391.475 3.676 20 5 GHBDHN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000176761610 837734608 /nfs/dbraw/zinc/73/46/08/837734608.db2.gz NBRGVQKNPYIGHB-UHFFFAOYSA-N 0 3 377.828 3.684 20 5 GHBDHN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187170215 835254425 /nfs/dbraw/zinc/25/44/25/835254425.db2.gz CXQCCRUAUVSJHE-IERDGZPVSA-N 0 3 396.491 3.616 20 5 GHBDHN COc1ccccc1[C@@H]1CCCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612073317 835457314 /nfs/dbraw/zinc/45/73/14/835457314.db2.gz LAHJPRZCIRLNBZ-WMZOPIPTSA-N 0 3 386.448 3.570 20 5 GHBDHN CN1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[C@@H]1c1ccccc1 ZINC000179467263 835734031 /nfs/dbraw/zinc/73/40/31/835734031.db2.gz DJSHWPYPWKWRFF-CTNGQTDRSA-N 0 3 394.475 3.714 20 5 GHBDHN COc1ccc(C[C@H](C)CN(C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000535615828 835780726 /nfs/dbraw/zinc/78/07/26/835780726.db2.gz GJROJQWZXWQBPV-JKSUJKDBSA-N 0 3 385.464 3.741 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000411809044 836360195 /nfs/dbraw/zinc/36/01/95/836360195.db2.gz SVRQBTCWVPDGSI-RYUDHWBXSA-N 0 3 389.374 3.595 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000548946759 836483110 /nfs/dbraw/zinc/48/31/10/836483110.db2.gz SBWVFQNYSGLTDP-QGZVFWFLSA-N 0 3 376.844 3.981 20 5 GHBDHN CN1CCC[C@@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000247163079 837012044 /nfs/dbraw/zinc/01/20/44/837012044.db2.gz AMLCLAYEKDGOMH-GTNSWQLSSA-N 0 3 395.431 3.747 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000511404345 837043751 /nfs/dbraw/zinc/04/37/51/837043751.db2.gz AIEFONLHFQZZHK-HNNXBMFYSA-N 0 3 379.526 3.798 20 5 GHBDHN CC(C)N1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275528015 837173099 /nfs/dbraw/zinc/17/30/99/837173099.db2.gz QBFXRZVFPOODRS-UHFFFAOYSA-N 0 3 399.441 3.974 20 5 GHBDHN C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1ccc([N+](=O)[O-])cc1 ZINC000180417024 837224344 /nfs/dbraw/zinc/22/43/44/837224344.db2.gz MLLYZVFWUPTGBM-AWEZNQCLSA-N 0 3 375.856 3.775 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000513078641 844335212 /nfs/dbraw/zinc/33/52/12/844335212.db2.gz YUDXALIHQGGUEP-ZLGUVYLKSA-N 0 3 398.459 3.902 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178444270 844349553 /nfs/dbraw/zinc/34/95/53/844349553.db2.gz BIEROSTVDHWRBC-UHFFFAOYSA-N 0 3 381.354 3.605 20 5 GHBDHN CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000121179524 838997846 /nfs/dbraw/zinc/99/78/46/838997846.db2.gz VDJXXWHBDJVLFC-HKUYNNGSSA-N 0 3 395.459 3.750 20 5 GHBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001125878218 839018662 /nfs/dbraw/zinc/01/86/62/839018662.db2.gz AWYMMEAZZSCDEQ-KRWDZBQOSA-N 0 3 387.867 3.700 20 5 GHBDHN CN(C)Cc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000047453362 844455777 /nfs/dbraw/zinc/45/57/77/844455777.db2.gz WCTDUGKZCYDRRP-UHFFFAOYSA-N 0 3 382.464 3.512 20 5 GHBDHN CC(C)Oc1cc(C(=O)N(CCN(C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000412171451 839862416 /nfs/dbraw/zinc/86/24/16/839862416.db2.gz JUPMHMCGQVMTST-UHFFFAOYSA-N 0 3 391.493 3.648 20 5 GHBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275924552 839887208 /nfs/dbraw/zinc/88/72/08/839887208.db2.gz GXGSDCNWDVDUEP-IIBYNOLFSA-N 0 3 375.472 3.650 20 5 GHBDHN C[C@@H](c1ccncc1)N1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000119277505 840019385 /nfs/dbraw/zinc/01/93/85/840019385.db2.gz JITSJEGLZIOEDG-AWEZNQCLSA-N 0 3 395.463 3.512 20 5 GHBDHN COC[C@](C)(CCO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000175850651 840136461 /nfs/dbraw/zinc/13/64/61/840136461.db2.gz GJLRNJBMSGBPRJ-IBGZPJMESA-N 0 3 394.855 3.918 20 5 GHBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000312756183 840203868 /nfs/dbraw/zinc/20/38/68/840203868.db2.gz XVWXTDKUMWPXFA-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000126428885 841056334 /nfs/dbraw/zinc/05/63/34/841056334.db2.gz KYXAMRUXXLQPFE-CVEARBPZSA-N 0 3 382.464 3.873 20 5 GHBDHN CCO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCCC2 ZINC000610540463 842242802 /nfs/dbraw/zinc/24/28/02/842242802.db2.gz KFHHBVLKIYGPMS-MSOLQXFVSA-N 0 3 376.453 3.679 20 5 GHBDHN Cc1nn(C)c(C)c1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182045838 842499852 /nfs/dbraw/zinc/49/98/52/842499852.db2.gz GWPRVZABHQNRBJ-UHFFFAOYSA-N 0 3 385.493 3.791 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512111286 842531707 /nfs/dbraw/zinc/53/17/07/842531707.db2.gz GHSCHRFKYYVXSG-XLIONFOSSA-N 0 3 396.491 3.614 20 5 GHBDHN C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@H](C)C1 ZINC000581923230 842698805 /nfs/dbraw/zinc/69/88/05/842698805.db2.gz IWHFPDPDOFBWAL-CVEARBPZSA-N 0 3 377.488 3.532 20 5 GHBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000512195733 843030170 /nfs/dbraw/zinc/03/01/70/843030170.db2.gz MBJTVLQXCOWOSE-KRWDZBQOSA-N 0 3 385.247 3.994 20 5 GHBDHN COc1ccccc1[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)N1CCCC1 ZINC000302850080 861386516 /nfs/dbraw/zinc/38/65/16/861386516.db2.gz PLLOCPYYODXYBV-LJQANCHMSA-N 0 3 382.464 3.820 20 5 GHBDHN COC(=O)COc1ccc(CN[C@@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000500469757 843497200 /nfs/dbraw/zinc/49/72/00/843497200.db2.gz LUVWNBFNIFCXAD-HXUWFJFHSA-N 0 3 390.411 3.773 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000599624495 861451294 /nfs/dbraw/zinc/45/12/94/861451294.db2.gz KOJRZGRTNULRCT-UHFFFAOYSA-N 0 3 384.436 3.519 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006531 846203937 /nfs/dbraw/zinc/20/39/37/846203937.db2.gz BVWMLYQMXKGYGP-NRFANRHFSA-N 0 3 381.476 3.727 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000157963999 846286648 /nfs/dbraw/zinc/28/66/48/846286648.db2.gz JVJUOJUKCNFJDU-AWEZNQCLSA-N 0 3 387.484 3.843 20 5 GHBDHN COc1cc(CN[C@@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000582180738 846591436 /nfs/dbraw/zinc/59/14/36/846591436.db2.gz NWTTYTAWKFGTAV-VXGBXAGGSA-N 0 3 380.338 3.915 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000501499086 846965594 /nfs/dbraw/zinc/96/55/94/846965594.db2.gz DHIKDXBHUHYBDY-INIZCTEOSA-N 0 3 393.237 3.850 20 5 GHBDHN O=[N+]([O-])c1ccc(CN(Cc2ccc(CN3CCOCC3)cc2)C2CC2)cc1 ZINC000420913163 847532079 /nfs/dbraw/zinc/53/20/79/847532079.db2.gz AKINWTVJFLVJKS-UHFFFAOYSA-N 0 3 381.476 3.592 20 5 GHBDHN CN(C)CCN(CCCc1ccccc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000502383199 847828396 /nfs/dbraw/zinc/82/83/96/847828396.db2.gz PMKQVCQTLQPZGE-UHFFFAOYSA-N 0 3 394.475 3.713 20 5 GHBDHN O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000061287457 848641359 /nfs/dbraw/zinc/64/13/59/848641359.db2.gz DMVMEMYLOHFZLH-UHFFFAOYSA-N 0 3 389.452 3.578 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(O)CC3)o2)c(Br)c1 ZINC000162257135 848876519 /nfs/dbraw/zinc/87/65/19/848876519.db2.gz FPLPVSAIEOMBSM-UHFFFAOYSA-N 0 3 381.226 3.574 20 5 GHBDHN CC1CCN([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000604200181 861968090 /nfs/dbraw/zinc/96/80/90/861968090.db2.gz GLIALAQUKOTXED-FQEVSTJZSA-N 0 3 397.475 3.563 20 5 GHBDHN COc1ccc(C[C@H](C)N[C@@H]2CCOc3cc(F)cc(F)c32)c([N+](=O)[O-])c1 ZINC001170312133 881342483 /nfs/dbraw/zinc/34/24/83/881342483.db2.gz CVKJRNQQSAAKIB-MEDUHNTESA-N 0 3 378.375 3.926 20 5 GHBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000515071296 850664984 /nfs/dbraw/zinc/66/49/84/850664984.db2.gz CUOXERQPJPRGSS-XOBRGWDASA-N 0 3 395.459 3.590 20 5 GHBDHN C[S@](=O)C1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000435747797 850812569 /nfs/dbraw/zinc/81/25/69/850812569.db2.gz KUFUKEWHAOELIJ-MHZLTWQESA-N 0 3 392.452 3.917 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000425011166 850861995 /nfs/dbraw/zinc/86/19/95/850861995.db2.gz XDZQXQPVXYNHAG-OXJNMPFZSA-N 0 3 397.500 3.663 20 5 GHBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCCN(Cc2ccccc2)CC1 ZINC000436271692 851414779 /nfs/dbraw/zinc/41/47/79/851414779.db2.gz REWXKGCTYCZKEB-UHFFFAOYSA-N 0 3 380.370 3.721 20 5 GHBDHN COc1cc(C[NH2+]CCc2cn(C)c3cc(Cl)ccc23)c([N+](=O)[O-])cc1[O-] ZINC000436404627 851578474 /nfs/dbraw/zinc/57/84/74/851578474.db2.gz DZCCXSXCZODKAF-UHFFFAOYSA-N 0 3 389.839 3.786 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000489578638 852450350 /nfs/dbraw/zinc/45/03/50/852450350.db2.gz BJYRCRBLKOUPEN-WMZOPIPTSA-N 0 3 396.491 3.792 20 5 GHBDHN COc1cc(Br)c(CNCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000058093467 862358248 /nfs/dbraw/zinc/35/82/48/862358248.db2.gz SJNQARGNRYNDDA-UHFFFAOYSA-N 0 3 395.253 3.707 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000509585704 853016338 /nfs/dbraw/zinc/01/63/38/853016338.db2.gz OGAYURPCGYRRSA-QAPCUYQASA-N 0 3 388.468 3.501 20 5 GHBDHN CCOc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000516958390 853203380 /nfs/dbraw/zinc/20/33/80/853203380.db2.gz YMHZTQKYEGENIL-INIZCTEOSA-N 0 3 391.855 3.680 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000054719905 853507571 /nfs/dbraw/zinc/50/75/71/853507571.db2.gz WMJTYTRQAUNHTI-APWZRJJASA-N 0 3 382.464 3.572 20 5 GHBDHN Cc1cc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)ccc1Br ZINC000425917042 853601921 /nfs/dbraw/zinc/60/19/21/853601921.db2.gz LLHUDEQGTUUHFH-UHFFFAOYSA-N 0 3 393.285 3.742 20 5 GHBDHN COc1ccc(OCCN(C)CCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000441207275 853999945 /nfs/dbraw/zinc/99/99/45/853999945.db2.gz WZKANFSCWFLACW-UHFFFAOYSA-N 0 3 380.828 3.646 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N(C)C)cc1 ZINC000572639037 854913183 /nfs/dbraw/zinc/91/31/83/854913183.db2.gz XUNORHQULOWESD-GOSISDBHSA-N 0 3 398.488 3.831 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)C3CC3)o2)c(Br)c1 ZINC000153611880 855313073 /nfs/dbraw/zinc/31/30/73/855313073.db2.gz JHOYPTDDNQWISZ-UHFFFAOYSA-N 0 3 381.226 3.574 20 5 GHBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCC3CCCC3)[C@@H]2C1 ZINC000590447537 855425489 /nfs/dbraw/zinc/42/54/89/855425489.db2.gz XVVPZUQGCSVRNN-CRAIPNDOSA-N 0 3 389.521 3.653 20 5 GHBDHN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN([C@H](C)CC)CC2)cc1OC ZINC001170316051 881344982 /nfs/dbraw/zinc/34/49/82/881344982.db2.gz UZKARXHTLKGPFQ-IAGOWNOFSA-N 0 3 393.528 3.944 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000323685607 856476732 /nfs/dbraw/zinc/47/67/32/856476732.db2.gz BRXYHHCKHRHJEC-HNNXBMFYSA-N 0 3 387.867 3.842 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000482209437 862810719 /nfs/dbraw/zinc/81/07/19/862810719.db2.gz LBNAEDUNPBJKPX-RZQQEMMASA-N 0 3 382.464 3.618 20 5 GHBDHN C[C@@H](NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173349890 856877564 /nfs/dbraw/zinc/87/75/64/856877564.db2.gz CELOXDOTZHMMSV-WBMJQRKESA-N 0 3 384.354 3.704 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000173970493 857188262 /nfs/dbraw/zinc/18/82/62/857188262.db2.gz WCNRNEUUWYFFDI-HNNXBMFYSA-N 0 3 387.402 3.526 20 5 GHBDHN O=C(NC1CC1)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000059386685 862882477 /nfs/dbraw/zinc/88/24/77/862882477.db2.gz MLELVUAJUPMDEV-IBGZPJMESA-N 0 3 394.475 3.564 20 5 GHBDHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000485955107 857268507 /nfs/dbraw/zinc/26/85/07/857268507.db2.gz RBKSEIGOJJVKPQ-CQSZACIVSA-N 0 3 383.467 3.527 20 5 GHBDHN CN(C)[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301712007 857340134 /nfs/dbraw/zinc/34/01/34/857340134.db2.gz YDRFAIYCHLRKSY-CQSZACIVSA-N 0 3 383.221 3.606 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000439650068 862905404 /nfs/dbraw/zinc/90/54/04/862905404.db2.gz QGYYIZGCBSPAHY-JCGIZDLHSA-N 0 3 375.469 3.558 20 5 GHBDHN O=C1CCCCCN1CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113313594 857424459 /nfs/dbraw/zinc/42/44/59/857424459.db2.gz SJMSEYWGXFPSPX-UHFFFAOYSA-N 0 3 388.493 3.601 20 5 GHBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058763260 857567058 /nfs/dbraw/zinc/56/70/58/857567058.db2.gz VQLYDTMKDFKINW-FQEVSTJZSA-N 0 3 396.491 3.568 20 5 GHBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000027284566 857765555 /nfs/dbraw/zinc/76/55/55/857765555.db2.gz CLMBWVONDMDFFO-UHFFFAOYSA-N 0 3 384.274 3.950 20 5 GHBDHN CN(C)[C@H](CNc1c(Br)cncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301821140 858045044 /nfs/dbraw/zinc/04/50/44/858045044.db2.gz BKJPJCRXCFDIDP-CYBMUJFWSA-N 0 3 383.221 3.606 20 5 GHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000594503223 858195419 /nfs/dbraw/zinc/19/54/19/858195419.db2.gz HWUJXDMZCNFVES-GUYCJALGSA-N 0 3 396.365 3.630 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H]2CCCc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000595000569 858361962 /nfs/dbraw/zinc/36/19/62/858361962.db2.gz LVFJSNDTIKMNDU-SFHVURJKSA-N 0 3 384.432 3.622 20 5 GHBDHN COc1ccccc1-c1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000595105087 858406211 /nfs/dbraw/zinc/40/62/11/858406211.db2.gz XEFZXHAEPFLPTI-WMZOPIPTSA-N 0 3 397.435 3.728 20 5 GHBDHN C[C@H]1[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000575084826 858578617 /nfs/dbraw/zinc/57/86/17/858578617.db2.gz IEYITKUKWHNLHQ-JXFKEZNVSA-N 0 3 396.491 3.792 20 5 GHBDHN CC(C)(C)O[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000595778776 858685517 /nfs/dbraw/zinc/68/55/17/858685517.db2.gz VCTPVUYZZZLGPY-JKSUJKDBSA-N 0 3 395.887 3.903 20 5 GHBDHN COc1ccc(C[C@@H](C)N(C)Cc2cncc(Br)c2)c([N+](=O)[O-])c1 ZINC001170335162 881381022 /nfs/dbraw/zinc/38/10/22/881381022.db2.gz LWXJSKQXTLZXMY-GFCCVEGCSA-N 0 3 394.269 3.824 20 5 GHBDHN COCc1cc([N+](=O)[O-])ccc1NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000474143114 859256251 /nfs/dbraw/zinc/25/62/51/859256251.db2.gz RYPGYGVECLZUIS-JOCHJYFZSA-N 0 3 398.507 3.532 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1 ZINC000117769985 859615073 /nfs/dbraw/zinc/61/50/73/859615073.db2.gz NQOPYQFIGSJJPV-GOSISDBHSA-N 0 3 375.856 3.518 20 5 GHBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000597606291 859677579 /nfs/dbraw/zinc/67/75/79/859677579.db2.gz WCCMLUROLHZTLP-LJQANCHMSA-N 0 3 396.491 3.763 20 5 GHBDHN O=[N+]([O-])c1ccc(CCCCN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000611409770 859744858 /nfs/dbraw/zinc/74/48/58/859744858.db2.gz ABLLWZLTDNBVEJ-SFHVURJKSA-N 0 3 392.452 3.565 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000484538585 860095833 /nfs/dbraw/zinc/09/58/33/860095833.db2.gz XFYRTKAJLOYLES-HNNXBMFYSA-N 0 3 379.526 3.947 20 5 GHBDHN CC(C)c1noc(CCCNCc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602536094 860103351 /nfs/dbraw/zinc/10/33/51/860103351.db2.gz XLVWZQFGFZZYBL-UHFFFAOYSA-N 0 3 389.275 3.648 20 5 GHBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1Br ZINC000602682547 860215362 /nfs/dbraw/zinc/21/53/62/860215362.db2.gz MBKZMNIILNUAJY-BXUZGUMPSA-N 0 3 398.282 3.824 20 5 GHBDHN O=[N+]([O-])c1c(N2CCN(Cc3cccc4ccccc43)CC2)nc2ccccn21 ZINC000137661284 860334419 /nfs/dbraw/zinc/33/44/19/860334419.db2.gz MWYFNSKIUZEXHH-UHFFFAOYSA-N 0 3 387.443 3.718 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000192941338 860362105 /nfs/dbraw/zinc/36/21/05/860362105.db2.gz RNTKYIWDEDAOAX-IBGZPJMESA-N 0 3 385.464 3.725 20 5 GHBDHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](c1cccs1)N1CCCC1 ZINC000124857979 860516403 /nfs/dbraw/zinc/51/64/03/860516403.db2.gz VWCQZKAZLLBQOI-SFHVURJKSA-N 0 3 398.488 3.633 20 5 GHBDHN Cc1c(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025536585 860534727 /nfs/dbraw/zinc/53/47/27/860534727.db2.gz PEABULHFMAICTP-OAQYLSRUSA-N 0 3 381.476 3.716 20 5 GHBDHN CC[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000552577636 860540883 /nfs/dbraw/zinc/54/08/83/860540883.db2.gz APNWYMBCWSAPSW-NLWGTHIKSA-N 0 3 389.402 3.886 20 5 GHBDHN COc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCCC2)cc1 ZINC000053250310 860582061 /nfs/dbraw/zinc/58/20/61/860582061.db2.gz OGQRHHSXJXRRIN-FQEVSTJZSA-N 0 3 398.463 3.870 20 5 GHBDHN CN1Cc2ccccc2[C@H](N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000598943400 860683106 /nfs/dbraw/zinc/68/31/06/860683106.db2.gz UALUBMIGAKIFRE-ZRCAFCQKSA-N 0 3 379.460 3.609 20 5 GHBDHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)N(C)C)c1 ZINC000509070456 860792636 /nfs/dbraw/zinc/79/26/36/860792636.db2.gz SHIDGGREPRGAOI-INIZCTEOSA-N 0 3 381.379 3.920 20 5 GHBDHN Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000494352661 881581186 /nfs/dbraw/zinc/58/11/86/881581186.db2.gz RRFCCXPOAPEDCG-HUUCEWRRSA-N 0 3 380.452 3.755 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000532234528 881587900 /nfs/dbraw/zinc/58/79/00/881587900.db2.gz JWFOAKIYLNYMAP-SPEDKVCISA-N 0 3 383.492 3.843 20 5 GHBDHN CCN(C(=O)NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000480060211 863965234 /nfs/dbraw/zinc/96/52/34/863965234.db2.gz RWOWDLOITMEITG-FQEVSTJZSA-N 0 3 396.491 3.709 20 5 GHBDHN Cn1cc(CN2CC[C@@]3(C2)OCc2ccccc23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186434372 865474468 /nfs/dbraw/zinc/47/44/68/865474468.db2.gz UVBQWYHIUINESA-QFIPXVFZSA-N 0 3 390.443 3.627 20 5 GHBDHN COc1cc(CNCC(C)(C)SC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174438092 865820327 /nfs/dbraw/zinc/82/03/27/865820327.db2.gz GMSLVSLTRIUXFB-UHFFFAOYSA-N 0 3 382.404 3.776 20 5 GHBDHN COc1ccc(-c2ccc(CN(CCO)[C@@H]3CCCSC3)o2)c([N+](=O)[O-])c1 ZINC000475498625 866039641 /nfs/dbraw/zinc/03/96/41/866039641.db2.gz XOESHQZXFKRDGD-CQSZACIVSA-N 0 3 392.477 3.553 20 5 GHBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000553495317 867511123 /nfs/dbraw/zinc/51/11/23/867511123.db2.gz XTMFVUUMEYRAMP-UHFFFAOYSA-N 0 3 395.525 3.663 20 5 GHBDHN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594719189 868346293 /nfs/dbraw/zinc/34/62/93/868346293.db2.gz ZSALKOMUNKAXQI-XKQJLSEDSA-N 0 3 375.469 3.638 20 5 GHBDHN C[C@@H](OC(=O)C1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000744066816 868583276 /nfs/dbraw/zinc/58/32/76/868583276.db2.gz WXDFJGFSUMLKEN-MLGOLLRUSA-N 0 3 388.807 3.906 20 5 GHBDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183966567 868837745 /nfs/dbraw/zinc/83/77/45/868837745.db2.gz SCMMWUDODVCHKQ-AWEZNQCLSA-N 0 3 391.418 3.567 20 5 GHBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000445971462 869247430 /nfs/dbraw/zinc/24/74/30/869247430.db2.gz MTMOTXFNGFEGSW-AWEZNQCLSA-N 0 3 395.293 3.764 20 5 GHBDHN COc1ccc(-c2ccc(CNCCC(=O)OC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000525183870 870124283 /nfs/dbraw/zinc/12/42/83/870124283.db2.gz HPMBRSKWQMDWSP-UHFFFAOYSA-N 0 3 376.409 3.685 20 5 GHBDHN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000441071919 870152462 /nfs/dbraw/zinc/15/24/62/870152462.db2.gz VWQJSXISSAIIQY-VGOFRKELSA-N 0 3 376.460 3.870 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1NC)c1ccsc1 ZINC000462912228 870370866 /nfs/dbraw/zinc/37/08/66/870370866.db2.gz MLERXPSQXXXLFF-MRXNPFEDSA-N 0 3 376.482 3.511 20 5 GHBDHN Cc1c([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000540190573 870686606 /nfs/dbraw/zinc/68/66/06/870686606.db2.gz TWOFUVIBZBAAPZ-YYKUARIBSA-N 0 3 379.460 3.711 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000461718711 870807255 /nfs/dbraw/zinc/80/72/55/870807255.db2.gz YKMOZFQVARBXFR-QGZVFWFLSA-N 0 3 396.491 3.789 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000920964043 882476932 /nfs/dbraw/zinc/47/69/32/882476932.db2.gz WQVSJDKHAAWDLF-GBFAAKNCSA-N 0 3 377.444 3.751 20 5 GHBDHN CN(C)Cc1ccccc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181798895 871483808 /nfs/dbraw/zinc/48/38/08/871483808.db2.gz UGBOTKYFTYXXME-UHFFFAOYSA-N 0 3 393.896 3.718 20 5 GHBDHN COc1ccc(OCCN(C)CCOc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000441254900 871584030 /nfs/dbraw/zinc/58/40/30/871584030.db2.gz GCTLTFZFNJZUEN-UHFFFAOYSA-N 0 3 380.828 3.646 20 5 GHBDHN Cc1ccc(Sc2ccc(CN[C@@H]3CCC(=O)N(C)C3)cc2[N+](=O)[O-])cc1 ZINC000540618024 871736879 /nfs/dbraw/zinc/73/68/79/871736879.db2.gz KPIIPUIGTBEMKE-MRXNPFEDSA-N 0 3 385.489 3.765 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)CCC2 ZINC000447526372 871755174 /nfs/dbraw/zinc/75/51/74/871755174.db2.gz CZQKAEOBLVPODA-GUDVDZBRSA-N 0 3 376.403 3.799 20 5 GHBDHN CSc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462183488 871786690 /nfs/dbraw/zinc/78/66/90/871786690.db2.gz BXSQUIYPAAKNAP-PBHICJAKSA-N 0 3 385.489 3.567 20 5 GHBDHN CCOc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182199153 872019372 /nfs/dbraw/zinc/01/93/72/872019372.db2.gz WQBVLAZMSAUXDH-HKUYNNGSSA-N 0 3 386.448 3.570 20 5 GHBDHN Cc1ccc(C(C)C)c(Oc2ccc(CNC[C@@](C)(O)CO)cc2[N+](=O)[O-])c1 ZINC000619464299 872658203 /nfs/dbraw/zinc/65/82/03/872658203.db2.gz OLTJGYOCUMQNIN-OAQYLSRUSA-N 0 3 388.464 3.652 20 5 GHBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000619569585 872747187 /nfs/dbraw/zinc/74/71/87/872747187.db2.gz UTCYHWJFRNXJTC-DMSXTEQDSA-N 0 3 390.480 3.613 20 5 GHBDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000770385707 874670250 /nfs/dbraw/zinc/67/02/50/874670250.db2.gz KGDQQADHOBUDAZ-LRDXNBAQSA-N 0 3 375.469 3.843 20 5 GHBDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000770385706 874670552 /nfs/dbraw/zinc/67/05/52/874670552.db2.gz KGDQQADHOBUDAZ-JDFMTEHDSA-N 0 3 375.469 3.843 20 5 GHBDHN COc1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000542030663 874776754 /nfs/dbraw/zinc/77/67/54/874776754.db2.gz KWMBJIIEJOVPBG-MRXNPFEDSA-N 0 3 398.463 3.732 20 5 GHBDHN C[C@H](NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000153065886 874971340 /nfs/dbraw/zinc/97/13/40/874971340.db2.gz PAZNSVZANNRXKC-BLLLJJGKSA-N 0 3 384.354 3.704 20 5 GHBDHN CC(C)(C)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000542252223 875223450 /nfs/dbraw/zinc/22/34/50/875223450.db2.gz ACQRFAWDTPFMFE-KUHUBIRLSA-N 0 3 394.418 3.990 20 5 GHBDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[C@@H]2C1 ZINC000491974468 876071574 /nfs/dbraw/zinc/07/15/74/876071574.db2.gz BSKHQUJCQAGKSA-MGPUTAFESA-N 0 3 396.447 3.945 20 5 GHBDHN O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(CN2CCCC2)c1 ZINC000785708364 876213557 /nfs/dbraw/zinc/21/35/57/876213557.db2.gz GJSRBMQJQCKOJR-UHFFFAOYSA-N 0 3 381.388 3.689 20 5 GHBDHN C[C@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000785709409 876214245 /nfs/dbraw/zinc/21/42/45/876214245.db2.gz KSYFESNGNUEMLV-INIZCTEOSA-N 0 3 398.459 3.717 20 5 GHBDHN O=C(OCC1CCN(Cc2ccco2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000772690849 876988244 /nfs/dbraw/zinc/98/82/44/876988244.db2.gz QJCIFAMYEDPRCG-UHFFFAOYSA-N 0 3 378.812 3.910 20 5 GHBDHN COc1cc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492783864 877537325 /nfs/dbraw/zinc/53/73/25/877537325.db2.gz MYQTXSNTUDXCGD-KRWDZBQOSA-N 0 3 393.447 3.768 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2cccc(Cl)c2)CC1 ZINC000179679729 877825472 /nfs/dbraw/zinc/82/54/72/877825472.db2.gz HNEKFNKTTOSCBY-UHFFFAOYSA-N 0 3 389.839 3.864 20 5 GHBDHN CCCC1CCC(N(C)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000790477697 879751173 /nfs/dbraw/zinc/75/11/73/879751173.db2.gz IRKNBPBXWCQDST-UHFFFAOYSA-N 0 3 388.468 3.612 20 5 GHBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000113094242 880329967 /nfs/dbraw/zinc/32/99/67/880329967.db2.gz FHNSNNQTKZNHMY-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2noc([C@H]3CN(Cc4ccccc4)CCC3(F)F)n2)o1 ZINC000453257352 880691483 /nfs/dbraw/zinc/69/14/83/880691483.db2.gz MYCMZAFYUREITK-CYBMUJFWSA-N 0 3 390.346 3.863 20 5 GHBDHN COc1cc(C(=O)OCC2CCN(Cc3ccco3)CC2)cc([N+](=O)[O-])c1C ZINC000791849059 880750372 /nfs/dbraw/zinc/75/03/72/880750372.db2.gz JREQQVYQNLHEMI-UHFFFAOYSA-N 0 3 388.420 3.574 20 5 GHBDHN CN(C)c1ccc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000792268369 881026365 /nfs/dbraw/zinc/02/63/65/881026365.db2.gz MKCDQDMGIBCCJQ-UHFFFAOYSA-N 0 3 382.464 3.654 20 5 GHBDHN COc1cc(CN[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000119835964 881128840 /nfs/dbraw/zinc/12/88/40/881128840.db2.gz DJCQDOTWYSTUMK-OAHLLOKOSA-N 0 3 388.411 3.683 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2cccc(C)c2)CCCC1 ZINC000556956492 881198173 /nfs/dbraw/zinc/19/81/73/881198173.db2.gz SHVDGCVYUNWHJR-UHFFFAOYSA-N 0 3 383.448 3.909 20 5 GHBDHN CN(c1ccccc1)c1ccc(CNCCOC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000609677650 883533457 /nfs/dbraw/zinc/53/34/57/883533457.db2.gz VDEGUPCYGNAWCN-LJQANCHMSA-N 0 3 385.464 3.648 20 5 GHBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000532517514 885918370 /nfs/dbraw/zinc/91/83/70/885918370.db2.gz KBTHZRWMTYHZJX-NPPFBWRTSA-N 0 3 383.492 3.843 20 5 GHBDHN CN1CCN(CCCCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000915212005 886015871 /nfs/dbraw/zinc/01/58/71/886015871.db2.gz RQUFEKBVRQFJPR-UHFFFAOYSA-N 0 3 394.825 3.707 20 5 GHBDHN Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000498936443 886138892 /nfs/dbraw/zinc/13/88/92/886138892.db2.gz HIZBHJYPEYRQFX-INIZCTEOSA-N 0 3 382.464 3.686 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)s1 ZINC000808452597 886365405 /nfs/dbraw/zinc/36/54/05/886365405.db2.gz MGWBEBQNTZLZEG-UZLBHIALSA-N 0 3 382.441 3.908 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccccc1Cl ZINC000026227471 887532651 /nfs/dbraw/zinc/53/26/51/887532651.db2.gz FVWAVLOYWJCCJX-GFCCVEGCSA-N 0 3 377.828 3.936 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000810046197 888093604 /nfs/dbraw/zinc/09/36/04/888093604.db2.gz IZFTUFLVLGNRLD-GOSISDBHSA-N 0 3 385.395 3.788 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000810320450 888392255 /nfs/dbraw/zinc/39/22/55/888392255.db2.gz YLGXIBXRWWVCDF-UHFFFAOYSA-N 0 3 384.480 3.795 20 5 GHBDHN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000917062337 890890787 /nfs/dbraw/zinc/89/07/87/890890787.db2.gz OSYVXAVXWSPRFP-GOSISDBHSA-N 0 3 394.475 3.564 20 5 GHBDHN Cc1nc(CCC(=O)OCC(C)[N+](=O)[O-])oc1-c1ccc(Br)cc1 ZINC000813106419 891303217 /nfs/dbraw/zinc/30/32/17/891303217.db2.gz CQIVPGUAYUVSCV-SNVBAGLBSA-N 0 3 397.225 3.554 20 5 GHBDHN COc1cccc2c1CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000194571836 893114267 /nfs/dbraw/zinc/11/42/67/893114267.db2.gz JAGLTBXYBGNYGI-UHFFFAOYSA-N 0 3 392.459 3.605 20 5 GHBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001134764020 893277626 /nfs/dbraw/zinc/27/76/26/893277626.db2.gz CVVKPXQJSREAJC-QGZVFWFLSA-N 0 3 385.489 3.960 20 5 GHBDHN CC[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000542611384 893408149 /nfs/dbraw/zinc/40/81/49/893408149.db2.gz FGGRMBWTUJCBCC-QAPCUYQASA-N 0 3 399.466 3.791 20 5 GHBDHN CN(C)[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC001135742504 895195748 /nfs/dbraw/zinc/19/57/48/895195748.db2.gz ONYPKOBETKUUMY-GOSISDBHSA-N 0 3 375.856 3.600 20 5 GHBDHN CC(C)(C)OC(=O)CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000564915580 895309815 /nfs/dbraw/zinc/30/98/15/895309815.db2.gz JDRXNQLXWNGKFM-UHFFFAOYSA-N 0 3 398.887 3.961 20 5 GHBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc2ccccc21 ZINC000302907958 914053804 /nfs/dbraw/zinc/05/38/04/914053804.db2.gz FILIORHIJGOQLE-OAHLLOKOSA-N 0 3 375.428 3.988 20 5 GHBDHN Cc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(OCC(F)(F)F)c1 ZINC000819147070 896402113 /nfs/dbraw/zinc/40/21/13/896402113.db2.gz NJADJUKMKLCVNA-MRXNPFEDSA-N 0 3 384.354 3.668 20 5 GHBDHN COc1cc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845873942 902478174 /nfs/dbraw/zinc/47/81/74/902478174.db2.gz FNOHASKKSUYYQK-KPZWWZAWSA-N 0 3 377.368 3.715 20 5 GHBDHN COc1cccc2[nH]cc(CC(=O)O[C@@H](c3ccccc3F)C(C)[N+](=O)[O-])c21 ZINC000845878762 902482340 /nfs/dbraw/zinc/48/23/40/902482340.db2.gz SQAHUGVNXPLCJK-MPBGBICISA-N 0 3 386.379 3.808 20 5 GHBDHN COc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)c1OC ZINC000845878609 902482510 /nfs/dbraw/zinc/48/25/10/902482510.db2.gz HLSMQXNNNWAPKC-XIKOKIGWSA-N 0 3 377.368 3.715 20 5 GHBDHN CCc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000845878162 902482543 /nfs/dbraw/zinc/48/25/43/902482543.db2.gz RESJOGXIVJMRRV-UGSOOPFHSA-N 0 3 398.394 3.532 20 5 GHBDHN COc1cccc(CO[C@H](C)C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845880543 902483924 /nfs/dbraw/zinc/48/39/24/902483924.db2.gz ZYSHZESSTSYGNL-PJIJBLCYSA-N 0 3 391.395 3.689 20 5 GHBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C)C2(CCCCC2)C1 ZINC000846946789 903338874 /nfs/dbraw/zinc/33/88/74/903338874.db2.gz KVWJBKVTSZZGRE-AWEZNQCLSA-N 0 3 394.903 3.526 20 5 GHBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136738866 903806169 /nfs/dbraw/zinc/80/61/69/903806169.db2.gz XTCVDQRSQXXIRG-ZDUSSCGKSA-N 0 3 393.896 3.952 20 5 GHBDHN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)C1CCN(Cc2ccccc2)CC1 ZINC000889491016 904603936 /nfs/dbraw/zinc/60/39/36/904603936.db2.gz QNNHUNVGIIUTKY-UHFFFAOYSA-N 0 3 396.491 3.815 20 5 GHBDHN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3cn(C4CCC4)cn3)CC2)c(F)c1 ZINC001173011421 906089059 /nfs/dbraw/zinc/08/90/59/906089059.db2.gz BEEQMWJFHYMSIN-UHFFFAOYSA-N 0 3 391.422 3.553 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](c2ncccc2OC)C2CC2)c1F ZINC001173181424 906261859 /nfs/dbraw/zinc/26/18/59/906261859.db2.gz VPQKUZJLFLJQED-CWTRNNRKSA-N 0 3 389.427 3.818 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)Cc2ccc3c(c2)OCO3)c1F ZINC001173195398 906281931 /nfs/dbraw/zinc/28/19/31/906281931.db2.gz FMDCTOSLOQUIDY-LBPRGKRZSA-N 0 3 376.384 3.534 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001173233384 906319101 /nfs/dbraw/zinc/31/91/01/906319101.db2.gz WAHFHDHTFFBBQY-CYBMUJFWSA-N 0 3 376.844 3.513 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001173233430 906320495 /nfs/dbraw/zinc/32/04/95/906320495.db2.gz WNOMMNPRETWAHS-RKVPGOIHSA-N 0 3 377.485 3.903 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1cccc(Br)c1 ZINC001173212208 906329641 /nfs/dbraw/zinc/32/96/41/906329641.db2.gz XLRLMXHMRWMAPY-LBPRGKRZSA-N 0 3 377.238 3.761 20 5 GHBDHN O=c1ccccn1Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192757315 907881331 /nfs/dbraw/zinc/88/13/31/907881331.db2.gz BSADXOUXFLUZEE-JOCHJYFZSA-N 0 3 389.455 3.972 20 5 GHBDHN COc1cc([N+](=O)[O-])c(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1SC ZINC000291753635 915348577 /nfs/dbraw/zinc/34/85/77/915348577.db2.gz YTIABPYJZCHXDK-UHFFFAOYSA-N 0 3 395.525 3.518 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC2(Cc3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000292744129 915823317 /nfs/dbraw/zinc/82/33/17/915823317.db2.gz APCYTUUZSIFNIM-UHFFFAOYSA-N 0 3 389.383 3.524 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000796431117 917091272 /nfs/dbraw/zinc/09/12/72/917091272.db2.gz LBKNBZMBWYBILG-IRXDYDNUSA-N 0 3 385.247 3.648 20 5 GHBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccnc(C(F)(F)F)c1 ZINC000295127707 917158118 /nfs/dbraw/zinc/15/81/18/917158118.db2.gz XOYGMNARXMUZDC-NSHDSACASA-N 0 3 382.342 3.516 20 5 GHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCc1ccc(OCC(F)(F)F)nc1 ZINC000775364332 917187900 /nfs/dbraw/zinc/18/79/00/917187900.db2.gz PFWBCQOGCZYFBZ-UHFFFAOYSA-N 0 3 389.761 3.917 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1sc(C)nc1C ZINC000298811885 920950304 /nfs/dbraw/zinc/95/03/04/920950304.db2.gz AJLRDASDTORUEC-LBPRGKRZSA-N 0 3 392.481 3.698 20 5 GHBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412547630 927562505 /nfs/dbraw/zinc/56/25/05/927562505.db2.gz LAWCJPLRDQVXSZ-LBPRGKRZSA-N 0 3 377.441 3.915 20 5 GHBDHN O=C(c1ccccc1)N1CC[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000374852863 927603590 /nfs/dbraw/zinc/60/35/90/927603590.db2.gz DGXCXRBVDNNYJU-QGZVFWFLSA-N 0 3 379.460 3.722 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCN2C2CCOCC2)c2ccccc2)c1 ZINC000927104569 932413416 /nfs/dbraw/zinc/41/34/16/932413416.db2.gz NMTUNLKKOZFKAJ-FGZHOGPDSA-N 0 3 381.476 3.527 20 5 GHBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c2ccccc2cc2ccccc21 ZINC001116653957 933685550 /nfs/dbraw/zinc/68/55/50/933685550.db2.gz GYKWMTFAGYFUFW-SFHVURJKSA-N 0 3 375.516 3.749 20 5 GHBDHN Cc1cccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1[N+](=O)[O-] ZINC000561653721 934340376 /nfs/dbraw/zinc/34/03/76/934340376.db2.gz USQQSRVGWHQXQU-IBGZPJMESA-N 0 3 385.464 3.723 20 5 GHBDHN CCN(C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC001123371901 935172453 /nfs/dbraw/zinc/17/24/53/935172453.db2.gz FRDORPWUIDWEBR-QGZVFWFLSA-N 0 3 398.463 3.732 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000561653053 1017916387 /nfs/dbraw/zinc/91/63/87/1017916387.db2.gz SXXFGVDZKRGEOO-LJQANCHMSA-N 0 3 389.427 3.554 20 5 GHBDHN CC1(C)CCCN(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001155876850 1032756738 /nfs/dbraw/zinc/75/67/38/1032756738.db2.gz GDUMRHKVRYLKCV-UHFFFAOYSA-N 0 3 385.917 3.579 20 5 GHBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194244186 1020964010 /nfs/dbraw/zinc/96/40/10/1020964010.db2.gz OJVYTTHSBDPCHJ-QGZVFWFLSA-N 0 3 397.475 3.778 20 5 GHBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000754099632 1022481525 /nfs/dbraw/zinc/48/15/25/1022481525.db2.gz WZUUHSQMQDSJTO-DHUIEDIVSA-N 0 3 397.450 3.980 20 5 GHBDHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000755121598 1023082579 /nfs/dbraw/zinc/08/25/79/1023082579.db2.gz QPVIPFBCKQSSSX-ZKTNFTSUSA-N 0 3 389.839 3.730 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000755494085 1023271813 /nfs/dbraw/zinc/27/18/13/1023271813.db2.gz NLORVSZZDJOXLT-VJTMMXLYSA-N 0 3 379.460 3.777 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000839187458 1025703657 /nfs/dbraw/zinc/70/36/57/1025703657.db2.gz UGBCSECJKIIWLO-ARFHVFGLSA-N 0 3 393.459 3.859 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)N1CCC[C@@H](C)C1 ZINC001162355746 1025723847 /nfs/dbraw/zinc/72/38/47/1025723847.db2.gz JEBXBPNAEMGDOL-GFCCVEGCSA-N 0 3 383.876 3.957 20 5 GHBDHN CN1CC[C@@H](NCc2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000839593989 1026094881 /nfs/dbraw/zinc/09/48/81/1026094881.db2.gz OTBOCUZBDBJDFS-CRAIPNDOSA-N 0 3 390.281 3.892 20 5 GHBDHN COc1ccc(CNC[C@H](c2ccc(Cl)cc2)n2cccn2)cc1[N+](=O)[O-] ZINC001461268238 1069472194 /nfs/dbraw/zinc/47/21/94/1069472194.db2.gz NQKJAUPVVZARLD-GOSISDBHSA-N 0 3 386.839 3.833 20 5 GHBDHN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1ccnc2c1CCC2 ZINC001218621283 1031007210 /nfs/dbraw/zinc/00/72/10/1031007210.db2.gz QPGMPVSWCDXGBJ-QFIPXVFZSA-N 0 3 381.479 3.807 20 5 GHBDHN C[S@](=O)[C@H]1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC001461804989 1069759587 /nfs/dbraw/zinc/75/95/87/1069759587.db2.gz HZTRLFBDUOXAGW-OJMYTPRHSA-N 0 3 392.452 3.915 20 5 GHBDHN CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001207625370 1034494963 /nfs/dbraw/zinc/49/49/63/1034494963.db2.gz WTDMCQIICKTGRP-FQEVSTJZSA-N 0 3 399.495 3.800 20 5 GHBDHN COc1cccc(CN2CC[C@H](Nc3ccc4ccc([N+](=O)[O-])cc4n3)C2)c1 ZINC001161188115 1035171490 /nfs/dbraw/zinc/17/14/90/1035171490.db2.gz PGVUOPXKKAAFPX-KRWDZBQOSA-N 0 3 378.432 3.838 20 5 GHBDHN C[C@H]1C[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CCN1C(=O)OC(C)(C)C ZINC001461984805 1069930213 /nfs/dbraw/zinc/93/02/13/1069930213.db2.gz XFIBGMREGIHMJJ-HOTGVXAUSA-N 0 3 389.496 3.989 20 5 GHBDHN COC(=O)c1ccc(O[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC001234048237 1039784024 /nfs/dbraw/zinc/78/40/24/1039784024.db2.gz HHHVBJQNKYBSFK-FOIQADDNSA-N 0 3 384.432 3.671 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCN(c4cccc(F)c4)CC3)CC2)cc1 ZINC001254481283 1040268098 /nfs/dbraw/zinc/26/80/98/1040268098.db2.gz ACDCTFIFWKNXDD-UHFFFAOYSA-N 0 3 384.455 3.525 20 5 GHBDHN COC(=O)c1ccc(OC2CCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254558467 1040328329 /nfs/dbraw/zinc/32/83/29/1040328329.db2.gz AWVKFZMZWWBISF-INIZCTEOSA-N 0 3 398.459 3.856 20 5 GHBDHN C[C@H](N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)Nc1ccc2ccccc2c1 ZINC001254579869 1040354789 /nfs/dbraw/zinc/35/47/89/1040354789.db2.gz WMTIZFNGAJBPKG-VBKZILBWSA-N 0 3 375.428 3.832 20 5 GHBDHN COc1cccc2c1CN(C1CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)C2 ZINC001256102151 1041528837 /nfs/dbraw/zinc/52/88/37/1041528837.db2.gz XNUXSPSPZRYWNQ-UHFFFAOYSA-N 0 3 383.448 3.597 20 5 GHBDHN COc1ccc([C@H](NC(C)C)C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001306901782 1048952646 /nfs/dbraw/zinc/95/26/46/1048952646.db2.gz NLTSUUVIEXMSDB-YWZLYKJASA-N 0 3 385.464 3.562 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC001290310423 1049797504 /nfs/dbraw/zinc/79/75/04/1049797504.db2.gz HKARXBCAKHEFBY-HBMCJLEFSA-N 0 3 381.476 3.680 20 5 GHBDHN COc1cc(CNCCc2ccccc2[N+](=O)[O-])c(F)cc1Br ZINC001308391777 1049965342 /nfs/dbraw/zinc/96/53/42/1049965342.db2.gz XGRVDRGBNPBNFG-UHFFFAOYSA-N 0 3 383.217 3.837 20 5 GHBDHN Cc1c(CN[C@@H]2COc3cccc(Br)c3C2)cccc1[N+](=O)[O-] ZINC001308500661 1049991399 /nfs/dbraw/zinc/99/13/99/1049991399.db2.gz PDAJRFZWFQAWEB-ZDUSSCGKSA-N 0 3 377.238 3.759 20 5 GHBDHN COc1cc(C[NH2+]C[C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])cc1[O-] ZINC001308536151 1050001873 /nfs/dbraw/zinc/00/18/73/1050001873.db2.gz WWQVJRKUJJGRIZ-LLVKDONJSA-N 0 3 395.253 3.965 20 5 GHBDHN COC(=O)c1cnc([C@H]2CCCN(Cc3c(C)ccc([N+](=O)[O-])c3C)C2)s1 ZINC001308879857 1050136379 /nfs/dbraw/zinc/13/63/79/1050136379.db2.gz BWKCZBZEFCFZAY-AWEZNQCLSA-N 0 3 389.477 3.834 20 5 GHBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001310799796 1051599429 /nfs/dbraw/zinc/59/94/29/1051599429.db2.gz CCXPKJWTVCAHOJ-OAHLLOKOSA-N 0 3 388.855 3.953 20 5 GHBDHN CCOc1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001310946666 1051724846 /nfs/dbraw/zinc/72/48/46/1051724846.db2.gz QGCRGVCBFROXTQ-SFHVURJKSA-N 0 3 398.463 3.780 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccccc2OC)CCC1 ZINC001337220954 1052427234 /nfs/dbraw/zinc/42/72/34/1052427234.db2.gz JXOSUSUIJYEKFA-UHFFFAOYSA-N 0 3 399.447 3.610 20 5 GHBDHN Cn1nc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001474744592 1055614727 /nfs/dbraw/zinc/61/47/27/1055614727.db2.gz MJLOWJXPTKRAPS-IUODEOHRSA-N 0 3 382.386 3.848 20 5 GHBDHN CCCn1ccnc1CCCN(C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848485781 1057121904 /nfs/dbraw/zinc/12/19/04/1057121904.db2.gz WWZAFGPOQGKGJQ-UHFFFAOYSA-N 0 3 382.468 3.587 20 5 GHBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000848551614 1057174173 /nfs/dbraw/zinc/17/41/73/1057174173.db2.gz RBVRGZGHKTUDBT-KUHUBIRLSA-N 0 3 380.448 3.853 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001442268875 1058943131 /nfs/dbraw/zinc/94/31/31/1058943131.db2.gz YAPNYWTZGILNDJ-WFASDCNBSA-N 0 3 391.830 3.953 20 5 GHBDHN CC(C)(C)N1CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC001442445815 1058962576 /nfs/dbraw/zinc/96/25/76/1058962576.db2.gz JXKXJUJWTQDXLU-UHFFFAOYSA-N 0 3 392.258 3.987 20 5 GHBDHN CN(C)CCN(Cc1cccs1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001435421858 1062593077 /nfs/dbraw/zinc/59/30/77/1062593077.db2.gz KQRXCXWRRJEETI-UHFFFAOYSA-N 0 3 395.912 3.833 20 5 GHBDHN CC([C@H](OC(=O)Cc1cccc(C(F)(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC001348939133 1063425407 /nfs/dbraw/zinc/42/54/07/1063425407.db2.gz GBCBDMKGDJPONY-HWPZZCPQSA-N 0 3 386.301 3.732 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N[C@H](CO)CN1CCCCC1 ZINC001458372707 1063768578 /nfs/dbraw/zinc/76/85/78/1063768578.db2.gz SKHRICFBFKXSFA-JTQLQIEISA-N 0 3 381.782 3.526 20 5 GHBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001464478348 1065035488 /nfs/dbraw/zinc/03/54/88/1065035488.db2.gz SHLYSIWDNMKZIW-UHFFFAOYSA-N 0 3 398.507 3.914 20 5 GHBDHN Cc1ccc(CN2CC[C@H](NC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)C2)cc1 ZINC001465918783 1065922477 /nfs/dbraw/zinc/92/24/77/1065922477.db2.gz CTNMBVFTCHDWLM-SFHVURJKSA-N 0 3 382.464 3.916 20 5 GHBDHN CN(C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCN(C)C1 ZINC001200384326 1066055786 /nfs/dbraw/zinc/05/57/86/1066055786.db2.gz VSKJTGXGOFWQHE-KRWDZBQOSA-N 0 3 384.436 3.945 20 5 GHBDHN COC(=O)c1cccc(OCCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001460130187 1068798684 /nfs/dbraw/zinc/79/86/84/1068798684.db2.gz MAVXQXCJGDDQHT-SFHVURJKSA-N 0 3 384.432 3.640 20 5 GHBDHN CC(C)CN(C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC001460665387 1069069374 /nfs/dbraw/zinc/06/93/74/1069069374.db2.gz RXRLQSSSSMZHKM-UHFFFAOYSA-N 0 3 381.904 3.760 20 5 GHBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001471688013 1073180691 /nfs/dbraw/zinc/18/06/91/1073180691.db2.gz YMJMTBRIZCFFQB-RBUKOAKNSA-N 0 3 381.432 3.696 20 5 GHBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001471688011 1073180775 /nfs/dbraw/zinc/18/07/75/1073180775.db2.gz YMJMTBRIZCFFQB-MOPGFXCFSA-N 0 3 381.432 3.696 20 5 GHBDHN CO[C@@](C)(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C1CC1 ZINC001474396960 1074384474 /nfs/dbraw/zinc/38/44/74/1074384474.db2.gz MVOQFYVGCRDCJH-KRWDZBQOSA-N 0 3 387.402 3.551 20 5 GHBDHN Cc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822228726 607019393 /nfs/dbraw/zinc/01/93/93/607019393.db2.gz DECROPVFYBXKJQ-CQSZACIVSA-N 0 3 398.492 3.667 20 5 GHBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc12 ZINC001164996629 722203824 /nfs/dbraw/zinc/20/38/24/722203824.db2.gz UNTLAVRXSZSNED-OAQYLSRUSA-N 0 3 395.438 3.855 20 5 GHBDHN Cn1cc(N2CCC[C@@H](N[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000180636857 837401945 /nfs/dbraw/zinc/40/19/45/837401945.db2.gz HAGMKMLSLMYARR-KNQAVFIVSA-N 0 3 391.475 3.676 20 5 GHBDHN CC[C@@H](C)NC(=O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000120912473 837442027 /nfs/dbraw/zinc/44/20/27/837442027.db2.gz KIXFCWADKISOQJ-CQSZACIVSA-N 0 3 389.427 3.921 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000611935127 835078325 /nfs/dbraw/zinc/07/83/25/835078325.db2.gz KXNRUQNSJYKDID-OAQYLSRUSA-N 0 3 396.491 3.659 20 5 GHBDHN COC[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cccc(Cl)c1 ZINC000584255456 835816282 /nfs/dbraw/zinc/81/62/82/835816282.db2.gz KFDIWGXAYFLBIF-QGZVFWFLSA-N 0 3 391.855 3.863 20 5 GHBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000410463694 835939289 /nfs/dbraw/zinc/93/92/89/835939289.db2.gz FBXNYDPZOGJNSB-AWEZNQCLSA-N 0 3 393.365 3.747 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000548951175 836544090 /nfs/dbraw/zinc/54/40/90/836544090.db2.gz OLXNBTLBIRZCPC-INIZCTEOSA-N 0 3 392.843 3.681 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510948257 844244063 /nfs/dbraw/zinc/24/40/63/844244063.db2.gz IQPKALJKRURJIW-YJBOKZPZSA-N 0 3 398.463 3.951 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)c1 ZINC000549324410 837893014 /nfs/dbraw/zinc/89/30/14/837893014.db2.gz IYWQADCFNZTOBA-FQEVSTJZSA-N 0 3 385.464 3.589 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177355888 837919449 /nfs/dbraw/zinc/91/94/49/837919449.db2.gz UITKHCLIKJCFBK-UHFFFAOYSA-N 0 3 392.253 3.980 20 5 GHBDHN CCOc1cc(C(=O)Nc2cc(CN(C)C)ccc2C)c([N+](=O)[O-])cc1OC ZINC000177347174 837937382 /nfs/dbraw/zinc/93/73/82/837937382.db2.gz LYDBLVNOAQJZGU-UHFFFAOYSA-N 0 3 387.436 3.624 20 5 GHBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412328296 838587010 /nfs/dbraw/zinc/58/70/10/838587010.db2.gz BRHQYAONFUZQTR-UHFFFAOYSA-N 0 3 381.476 3.895 20 5 GHBDHN COC[C@@H]1C[C@H](O)CN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414495985 838594389 /nfs/dbraw/zinc/59/43/89/838594389.db2.gz YFVVISNYTYNTLV-HOTGVXAUSA-N 0 3 392.839 3.622 20 5 GHBDHN CCc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1[N+](=O)[O-] ZINC000377053756 838949990 /nfs/dbraw/zinc/94/99/90/838949990.db2.gz UYUHWWBULOSCBT-UHFFFAOYSA-N 0 3 399.413 3.692 20 5 GHBDHN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Cc1ccccc1 ZINC000549423387 838952037 /nfs/dbraw/zinc/95/20/37/838952037.db2.gz UIUUCXJZNONWMH-OAHLLOKOSA-N 0 3 395.381 3.516 20 5 GHBDHN COc1ccc(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541105548 839180389 /nfs/dbraw/zinc/18/03/89/839180389.db2.gz BDNJMGTUGUQDHX-PBHICJAKSA-N 0 3 384.436 3.560 20 5 GHBDHN CC(C)(NC(=O)NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000431874666 839236778 /nfs/dbraw/zinc/23/67/78/839236778.db2.gz FGPADPNOVUUVPO-UHFFFAOYSA-N 0 3 396.491 3.578 20 5 GHBDHN CC(C)(NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000431882564 839357246 /nfs/dbraw/zinc/35/72/46/839357246.db2.gz MQIOZDUUCZQOQQ-FQEVSTJZSA-N 0 3 396.491 3.966 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000610446122 839708410 /nfs/dbraw/zinc/70/84/10/839708410.db2.gz RLLNBKJCCWTADL-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@](C)(O)c3ccsc3)o2)c([N+](=O)[O-])c1 ZINC000124097677 840789288 /nfs/dbraw/zinc/78/92/88/840789288.db2.gz LZNDEIKUBTVQLV-IBGZPJMESA-N 0 3 388.445 3.922 20 5 GHBDHN Cc1cc(NCc2ccc(CN3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302201719 861239055 /nfs/dbraw/zinc/23/90/55/861239055.db2.gz VKXLQZYVEURDJD-UHFFFAOYSA-N 0 3 392.459 3.896 20 5 GHBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CN1Cc1ccccc1 ZINC000157929279 842173292 /nfs/dbraw/zinc/17/32/92/842173292.db2.gz MXRFLNOABZFOGM-DOTOQJQBSA-N 0 3 390.443 3.536 20 5 GHBDHN CCC[C@@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000112377502 842310258 /nfs/dbraw/zinc/31/02/58/842310258.db2.gz NHRRRWYPPANVQA-GFCCVEGCSA-N 0 3 383.242 3.868 20 5 GHBDHN CC(=O)c1ccc(NCCCCN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000603868516 861299127 /nfs/dbraw/zinc/29/91/27/861299127.db2.gz ASCMHDPCMDCEPP-UHFFFAOYSA-N 0 3 396.491 3.812 20 5 GHBDHN COC(=O)COc1c(C)cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000175984220 842691596 /nfs/dbraw/zinc/69/15/96/842691596.db2.gz JFGRFGDIUMPIJF-UHFFFAOYSA-N 0 3 386.448 3.788 20 5 GHBDHN CN(C)CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000051469432 843163883 /nfs/dbraw/zinc/16/38/83/843163883.db2.gz UBQIJPLORMCQJA-UHFFFAOYSA-N 0 3 388.493 3.665 20 5 GHBDHN COc1ccc([C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])N(C)C)cc1OC ZINC000432319502 843557753 /nfs/dbraw/zinc/55/77/53/843557753.db2.gz GVOQOFOYYXYXIX-GOSISDBHSA-N 0 3 396.447 3.875 20 5 GHBDHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000549615876 843699739 /nfs/dbraw/zinc/69/97/39/843699739.db2.gz GGDROJPTHNNVFH-MRXNPFEDSA-N 0 3 382.247 3.934 20 5 GHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCC2CCOCC2)CC1 ZINC000432933738 844670738 /nfs/dbraw/zinc/67/07/38/844670738.db2.gz WMWXFYZKFOGDEE-UHFFFAOYSA-N 0 3 387.402 3.552 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(NC2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000610915171 844842498 /nfs/dbraw/zinc/84/24/98/844842498.db2.gz SULJXKCUGGXICB-UHFFFAOYSA-N 0 3 389.427 3.698 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000509777792 845136363 /nfs/dbraw/zinc/13/63/63/845136363.db2.gz RXQRNRHAXPZAKS-APWZRJJASA-N 0 3 397.475 3.901 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000071838565 845586305 /nfs/dbraw/zinc/58/63/05/845586305.db2.gz DGYXYOLIMXPKAT-UHFFFAOYSA-N 0 3 377.828 3.578 20 5 GHBDHN COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000072006524 846204329 /nfs/dbraw/zinc/20/43/29/846204329.db2.gz ZLUSCZCFRPUUGX-HXUWFJFHSA-N 0 3 397.475 3.806 20 5 GHBDHN CC(C)c1nn(-c2ccccc2)cc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678923 861807011 /nfs/dbraw/zinc/80/70/11/861807011.db2.gz SIZZFGBFYLIWGB-FQEVSTJZSA-N 0 3 380.448 3.727 20 5 GHBDHN CCOc1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000503408374 847686879 /nfs/dbraw/zinc/68/68/79/847686879.db2.gz STTRRAQVLBOULX-KRWDZBQOSA-N 0 3 384.480 3.906 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)Cc1ccccc1 ZINC000504094376 849895657 /nfs/dbraw/zinc/89/56/57/849895657.db2.gz NKZSAKPUFUWZTN-UHFFFAOYSA-N 0 3 387.505 3.959 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@](C)(c3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000435031803 850014098 /nfs/dbraw/zinc/01/40/98/850014098.db2.gz BNSTZPZOQDWZJX-QFIPXVFZSA-N 0 3 398.459 3.619 20 5 GHBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425279439 850094569 /nfs/dbraw/zinc/09/45/69/850094569.db2.gz UZVPUVFOTWPCEP-WMLDXEAASA-N 0 3 392.381 3.719 20 5 GHBDHN COc1cc(C[NH2+]CC2(c3ccccc3OC)CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000509610607 850112423 /nfs/dbraw/zinc/11/24/23/850112423.db2.gz WLJOBJRRBGRGER-UHFFFAOYSA-N 0 3 386.448 3.919 20 5 GHBDHN CC(C)N1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000426525111 850566340 /nfs/dbraw/zinc/56/63/40/850566340.db2.gz QLTSZZWBUKVSBI-UHFFFAOYSA-N 0 3 397.475 3.730 20 5 GHBDHN O=C(NCCCN1CCCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435829436 850912911 /nfs/dbraw/zinc/91/29/11/850912911.db2.gz XYFBITOOLTWDQO-UHFFFAOYSA-N 0 3 399.441 3.565 20 5 GHBDHN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCCC[C@H]1C ZINC000436102073 851199936 /nfs/dbraw/zinc/19/99/36/851199936.db2.gz PUOFUNAMUJQIMW-HZPDHXFCSA-N 0 3 377.488 3.674 20 5 GHBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436134150 851244258 /nfs/dbraw/zinc/24/42/58/851244258.db2.gz PHCFHSOTMLYDHB-IXDOHACOSA-N 0 3 391.515 3.778 20 5 GHBDHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000912727967 852566374 /nfs/dbraw/zinc/56/63/74/852566374.db2.gz YDQBUIWEXFSYOP-LJQANCHMSA-N 0 3 386.408 3.761 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000489895150 852629049 /nfs/dbraw/zinc/62/90/49/852629049.db2.gz XMUYEUQCKNKKDD-APWZRJJASA-N 0 3 382.464 3.538 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000506299965 852631200 /nfs/dbraw/zinc/63/12/00/852631200.db2.gz YBAKNFLJHASTDZ-GDBMZVCRSA-N 0 3 384.436 3.560 20 5 GHBDHN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cc(F)cc(F)c1 ZINC000490161838 852799128 /nfs/dbraw/zinc/79/91/28/852799128.db2.gz BKHDLMUCWKAGFW-UHFFFAOYSA-N 0 3 375.375 3.866 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CSc2ccccc2[N+](=O)[O-])C1 ZINC000507628690 853124614 /nfs/dbraw/zinc/12/46/14/853124614.db2.gz GFSXAKMWJLEIHE-NVXWUHKLSA-N 0 3 385.489 3.639 20 5 GHBDHN CC1(C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OCc1ccccc1 ZINC000517048215 853305981 /nfs/dbraw/zinc/30/59/81/853305981.db2.gz NLXFVMNSJBCYFI-MOPGFXCFSA-N 0 3 383.448 3.507 20 5 GHBDHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437698825 853433636 /nfs/dbraw/zinc/43/36/36/853433636.db2.gz PEARGNLPJZYXRI-LJQANCHMSA-N 0 3 394.475 3.543 20 5 GHBDHN COC(=O)COc1ccc(CN[C@H]2CCCc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000517198428 853488350 /nfs/dbraw/zinc/48/83/50/853488350.db2.gz CJAWFXJSBJYQGI-SFHVURJKSA-N 0 3 384.432 3.622 20 5 GHBDHN Cc1nnc([C@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)[nH]1 ZINC000542692417 855459622 /nfs/dbraw/zinc/45/96/22/855459622.db2.gz OFBLYQQZNFWDQW-AWEZNQCLSA-N 0 3 384.465 3.524 20 5 GHBDHN COc1cc(CN2CCC[C@@](C)(O)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000129571495 855511322 /nfs/dbraw/zinc/51/13/22/855511322.db2.gz BURMHSYTYYHPHB-OAQYLSRUSA-N 0 3 386.448 3.529 20 5 GHBDHN C[C@@H](C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001272892962 855991525 /nfs/dbraw/zinc/99/15/25/855991525.db2.gz UPNYGSFZGWEAOC-DLBZAZTESA-N 0 3 399.466 3.818 20 5 GHBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591525512 856090862 /nfs/dbraw/zinc/09/08/62/856090862.db2.gz OAEVJELTXNOREO-OAHLLOKOSA-N 0 3 377.510 3.796 20 5 GHBDHN O=C(CCNCc1ccc(OC2CCCCC2)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000591730558 856234074 /nfs/dbraw/zinc/23/40/74/856234074.db2.gz LNLDYGUWIXMCCR-UHFFFAOYSA-N 0 3 398.463 3.820 20 5 GHBDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000591845443 856342644 /nfs/dbraw/zinc/34/26/44/856342644.db2.gz SROKZZKTDQDOCH-MLGOLLRUSA-N 0 3 379.254 3.612 20 5 GHBDHN O=C(CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)Nc1ccccc1 ZINC000592131350 856673754 /nfs/dbraw/zinc/67/37/54/856673754.db2.gz YPCUERUUOAXBSG-MXVIHJGJSA-N 0 3 397.475 3.729 20 5 GHBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000592187241 856790119 /nfs/dbraw/zinc/79/01/19/856790119.db2.gz MSGFBHZWQFJCBX-TZIWHRDSSA-N 0 3 380.444 3.728 20 5 GHBDHN C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173389294 856902262 /nfs/dbraw/zinc/90/22/62/856902262.db2.gz NCYIXRQJHYZPJE-HZPDHXFCSA-N 0 3 386.471 3.898 20 5 GHBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-n3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000174377940 857277651 /nfs/dbraw/zinc/27/76/51/857277651.db2.gz VZNRDIAJCTUZRJ-HZPDHXFCSA-N 0 3 393.447 3.767 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC000438913667 857625403 /nfs/dbraw/zinc/62/54/03/857625403.db2.gz ZWBIFXHEMMEOCE-NRFANRHFSA-N 0 3 381.476 3.707 20 5 GHBDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255302900 857675726 /nfs/dbraw/zinc/67/57/26/857675726.db2.gz USBXABDALIMGDY-SBSDFTTDSA-N 0 3 399.413 3.731 20 5 GHBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001128353215 857940455 /nfs/dbraw/zinc/94/04/55/857940455.db2.gz OMTNWVWTTOPBGA-HXUWFJFHSA-N 0 3 398.507 3.547 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121043400 858150774 /nfs/dbraw/zinc/15/07/74/858150774.db2.gz BVFZWDQCELODKT-HXUWFJFHSA-N 0 3 390.443 3.710 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000595031672 858374236 /nfs/dbraw/zinc/37/42/36/858374236.db2.gz BEHRHWWHHNJMPU-GFCCVEGCSA-N 0 3 399.369 3.833 20 5 GHBDHN O=[N+]([O-])c1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1C(F)(F)F ZINC000301885816 858508506 /nfs/dbraw/zinc/50/85/06/858508506.db2.gz PLKLTIOISNQHMF-HZPDHXFCSA-N 0 3 395.381 3.661 20 5 GHBDHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2onc(C)c2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595369400 858519134 /nfs/dbraw/zinc/51/91/34/858519134.db2.gz FEDGIOCRBPCMMY-PXGUKHNGSA-N 0 3 392.500 3.575 20 5 GHBDHN COc1cccc([C@@H]2[C@H](NCc3ccc(F)cc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000595475942 858541933 /nfs/dbraw/zinc/54/19/33/858541933.db2.gz KWAMSLBBFOAZJS-TZIWHRDSSA-N 0 3 385.439 3.810 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000593022092 858550823 /nfs/dbraw/zinc/55/08/23/858550823.db2.gz BJXNRIHBWTZIGM-FQEVSTJZSA-N 0 3 397.475 3.698 20 5 GHBDHN C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000543150470 858663738 /nfs/dbraw/zinc/66/37/38/858663738.db2.gz DVUNVWACRCFWIL-CHWSQXEVSA-N 0 3 385.917 3.719 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000595777789 858684158 /nfs/dbraw/zinc/68/41/58/858684158.db2.gz KBHXJSRFGBPCMM-IRXDYDNUSA-N 0 3 375.469 3.558 20 5 GHBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000482638545 858712622 /nfs/dbraw/zinc/71/26/22/858712622.db2.gz QIVIUBRBSCMZPQ-UHFFFAOYSA-N 0 3 393.447 3.618 20 5 GHBDHN CCc1nn(C)c(NCC2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000301939377 859110681 /nfs/dbraw/zinc/11/06/81/859110681.db2.gz SVTQBCQATLUIEZ-UHFFFAOYSA-N 0 3 391.903 3.868 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@@H](c3nc(C(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC001170352623 881388219 /nfs/dbraw/zinc/38/82/19/881388219.db2.gz OUSRZOGMZMNRDT-GDBMZVCRSA-N 0 3 388.468 3.920 20 5 GHBDHN CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000543637617 859150928 /nfs/dbraw/zinc/15/09/28/859150928.db2.gz GSCVAGMDMHLZDX-INIZCTEOSA-N 0 3 386.427 3.692 20 5 GHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000509391072 859285855 /nfs/dbraw/zinc/28/58/55/859285855.db2.gz CVIROYVMZBZJCL-OAQYLSRUSA-N 0 3 398.507 3.688 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000483325942 859299820 /nfs/dbraw/zinc/29/98/20/859299820.db2.gz PMOWSJRXLQVKHW-BBRMVZONSA-N 0 3 390.440 3.837 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000601620785 859382727 /nfs/dbraw/zinc/38/27/27/859382727.db2.gz LCNFKBVTVOMKAQ-UHFFFAOYSA-N 0 3 397.353 3.936 20 5 GHBDHN COc1ccc(C[C@H](C)N2CCC(O)(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170347135 881470321 /nfs/dbraw/zinc/47/03/21/881470321.db2.gz QMZRSHXFMGHYOJ-HNNXBMFYSA-N 0 3 388.439 3.657 20 5 GHBDHN O=C(CCN1CC[C@H](c2c(F)cccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000185307244 859898291 /nfs/dbraw/zinc/89/82/91/859898291.db2.gz NDBRVEQQUXBZBN-ZDUSSCGKSA-N 0 3 375.375 3.691 20 5 GHBDHN CCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCN(C)C1 ZINC000597946637 859952329 /nfs/dbraw/zinc/95/23/29/859952329.db2.gz QZHSWAKQTZYLQH-QGZVFWFLSA-N 0 3 385.489 3.912 20 5 GHBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000727676513 860185386 /nfs/dbraw/zinc/18/53/86/860185386.db2.gz PPJCYCJRLGQWCG-KVDXNUTJSA-N 0 3 379.460 3.951 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](CO)C3)o2)c(Br)c1 ZINC000154591203 860195070 /nfs/dbraw/zinc/19/50/70/860195070.db2.gz JIQHFXVVAXTNCW-GFCCVEGCSA-N 0 3 395.253 3.822 20 5 GHBDHN Cc1ccccc1O[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000484656766 860230935 /nfs/dbraw/zinc/23/09/35/860230935.db2.gz URYJPLKYAPCZGI-PXNSSMCTSA-N 0 3 383.448 3.822 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)C2)nc1 ZINC000093534552 860297242 /nfs/dbraw/zinc/29/72/42/860297242.db2.gz BSXOTEBZNASYGN-INIZCTEOSA-N 0 3 398.854 3.720 20 5 GHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)C2)nc1 ZINC000093534556 860297436 /nfs/dbraw/zinc/29/74/36/860297436.db2.gz BSXOTEBZNASYGN-MRXNPFEDSA-N 0 3 398.854 3.720 20 5 GHBDHN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000568684697 860506926 /nfs/dbraw/zinc/50/69/26/860506926.db2.gz YTQKOILKMSYOKH-VQIMIIECSA-N 0 3 385.855 3.660 20 5 GHBDHN COc1ccc([C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])N(C)C)cc1OC ZINC000599017068 860741674 /nfs/dbraw/zinc/74/16/74/860741674.db2.gz WRDMQTWCLOUSOW-SFHVURJKSA-N 0 3 396.447 3.875 20 5 GHBDHN O=C(NC[C@@H]1CCN1C1CCCC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599204148 860918251 /nfs/dbraw/zinc/91/82/51/860918251.db2.gz SSJJVSAGPYJXTM-PXNSSMCTSA-N 0 3 386.496 3.501 20 5 GHBDHN CCC[C@H](NC[C@@H](O)COc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000482536669 863286269 /nfs/dbraw/zinc/28/62/69/863286269.db2.gz MUWNNMPHLOPETG-BEFAXECRSA-N 0 3 380.391 3.744 20 5 GHBDHN Cc1c(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000480073622 863967365 /nfs/dbraw/zinc/96/73/65/863967365.db2.gz NVSGTSOEGRSVBL-UHFFFAOYSA-N 0 3 396.491 3.709 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000137467507 863977471 /nfs/dbraw/zinc/97/74/71/863977471.db2.gz FSPVQHOCJWSMBJ-PBHICJAKSA-N 0 3 387.867 3.570 20 5 GHBDHN NC(=O)CC1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC1 ZINC000475111647 864228787 /nfs/dbraw/zinc/22/87/87/864228787.db2.gz PFBFVWMORUPQCK-UHFFFAOYSA-N 0 3 389.839 3.928 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)cnc1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000480549644 864833861 /nfs/dbraw/zinc/83/38/61/864833861.db2.gz GZPWXSTZYXALCR-UHFFFAOYSA-N 0 3 378.782 3.860 20 5 GHBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792932594 881822546 /nfs/dbraw/zinc/82/25/46/881822546.db2.gz FGGFVIBGOYPIIG-GUYCJALGSA-N 0 3 376.840 3.758 20 5 GHBDHN CSc1cccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000186511990 866047482 /nfs/dbraw/zinc/04/74/82/866047482.db2.gz PBEMYYKGYYDUKD-INIZCTEOSA-N 0 3 385.489 3.711 20 5 GHBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N(C)C)cc1Cl ZINC000741747379 866751987 /nfs/dbraw/zinc/75/19/87/866751987.db2.gz QONYJVCUGCPCEE-AWEZNQCLSA-N 0 3 383.857 3.811 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000248791337 868110706 /nfs/dbraw/zinc/11/07/06/868110706.db2.gz XODSIHYXEDZCEX-QKLQHJQFSA-N 0 3 397.475 3.988 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCCc2ccc(OCC(F)(F)F)nc2)c(Cl)c1 ZINC000479613141 868192741 /nfs/dbraw/zinc/19/27/41/868192741.db2.gz YTADAKFLGUAUEF-UHFFFAOYSA-N 0 3 389.761 3.917 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1OC ZINC001170434037 882246291 /nfs/dbraw/zinc/24/62/91/882246291.db2.gz DMLDBYFLSJJYER-HLXNBZPMSA-N 0 3 392.496 3.931 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000446127559 869412399 /nfs/dbraw/zinc/41/23/99/869412399.db2.gz SEXMXMUVEMKXBE-NRFANRHFSA-N 0 3 381.476 3.789 20 5 GHBDHN COc1ccc2ccccc2c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000539837644 869879126 /nfs/dbraw/zinc/87/91/26/869879126.db2.gz QMAGKWROUKSMJQ-INIZCTEOSA-N 0 3 378.432 3.838 20 5 GHBDHN CC(C)[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000491284991 870260112 /nfs/dbraw/zinc/26/01/12/870260112.db2.gz RKUIVYPCYWECMV-FCHUYYIVSA-N 0 3 383.492 3.631 20 5 GHBDHN COCCOC[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000538721603 870419462 /nfs/dbraw/zinc/41/94/62/870419462.db2.gz UEHRLGWAKMLCNQ-LJQANCHMSA-N 0 3 399.491 3.848 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000462922285 870454275 /nfs/dbraw/zinc/45/42/75/870454275.db2.gz BOYHVGRGYUENOR-GHTZIAJQSA-N 0 3 383.492 3.891 20 5 GHBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540524064 871489949 /nfs/dbraw/zinc/48/99/49/871489949.db2.gz DNEHAWCXNVXBKV-QGZVFWFLSA-N 0 3 382.464 3.651 20 5 GHBDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000447403454 871541169 /nfs/dbraw/zinc/54/11/69/871541169.db2.gz OVHMEYXNOILAJQ-QGZVFWFLSA-N 0 3 376.460 3.896 20 5 GHBDHN CCOc1ccc(NC(=O)CN[C@@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])c1 ZINC000540589172 871692835 /nfs/dbraw/zinc/69/28/35/871692835.db2.gz QFTLHPQVDGJSKK-OAQYLSRUSA-N 0 3 383.448 3.981 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000462167782 871728849 /nfs/dbraw/zinc/72/88/49/871728849.db2.gz CFFNKIPIRITNMJ-VQIMIIECSA-N 0 3 381.476 3.770 20 5 GHBDHN Cc1ccc([C@H](CN2CCOCC2)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447520127 871742601 /nfs/dbraw/zinc/74/26/01/871742601.db2.gz IZQADIYNDKDRHF-GOTSBHOMSA-N 0 3 395.503 3.944 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000462233736 871907278 /nfs/dbraw/zinc/90/72/78/871907278.db2.gz RBXJEXDQAAXBNZ-ACJLOTCBSA-N 0 3 388.855 3.890 20 5 GHBDHN COc1ccc(C[C@H](C)CN(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000121463494 873283027 /nfs/dbraw/zinc/28/30/27/873283027.db2.gz GCIPIFDKMVGSSS-INIZCTEOSA-N 0 3 395.463 3.630 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001196841759 873399768 /nfs/dbraw/zinc/39/97/68/873399768.db2.gz KJGUGAFECFQDKX-QGZVFWFLSA-N 0 3 377.485 3.907 20 5 GHBDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769745516 874278948 /nfs/dbraw/zinc/27/89/48/874278948.db2.gz CVZNYMQHZWBEAY-LJQANCHMSA-N 0 3 391.472 3.500 20 5 GHBDHN C[C@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H](c2ccco2)C1 ZINC000464857463 874654693 /nfs/dbraw/zinc/65/46/93/874654693.db2.gz NTNQLYMRCRDPCN-HOCLYGCPSA-N 0 3 385.420 3.959 20 5 GHBDHN Nc1ccc(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c([N+](=O)[O-])c1 ZINC000804461122 882876860 /nfs/dbraw/zinc/87/68/60/882876860.db2.gz ZYLOQXZLMNZSPO-OAHLLOKOSA-N 0 3 380.370 3.882 20 5 GHBDHN CC(C)(C)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000542252219 875224090 /nfs/dbraw/zinc/22/40/90/875224090.db2.gz ACQRFAWDTPFMFE-AUUYWEPGSA-N 0 3 394.418 3.990 20 5 GHBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(Oc3cccnc3)c(F)c2)cc1 ZINC000776277610 876122008 /nfs/dbraw/zinc/12/20/08/876122008.db2.gz NFAFSRFWLPIBMO-LJQANCHMSA-N 0 3 383.379 3.744 20 5 GHBDHN CC(=O)Nc1ccc(CN2CCC(Nc3c(C)cccc3[N+](=O)[O-])CC2)cc1 ZINC000450783630 876885271 /nfs/dbraw/zinc/88/52/71/876885271.db2.gz DHVXAAKBBXGKQD-UHFFFAOYSA-N 0 3 382.464 3.938 20 5 GHBDHN COc1cc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000492783865 877537897 /nfs/dbraw/zinc/53/78/97/877537897.db2.gz MYQTXSNTUDXCGD-QGZVFWFLSA-N 0 3 393.447 3.768 20 5 GHBDHN COC(=O)COc1ccc(CN(C)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000530553124 878048456 /nfs/dbraw/zinc/04/84/56/878048456.db2.gz OGDWZVZOZMIHFT-SFHVURJKSA-N 0 3 384.432 3.656 20 5 GHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000776582262 878198827 /nfs/dbraw/zinc/19/88/27/878198827.db2.gz NLVIBLOJWFPXAL-VQTJNVASSA-N 0 3 390.867 3.727 20 5 GHBDHN COc1cc(CN[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493603957 879542819 /nfs/dbraw/zinc/54/28/19/879542819.db2.gz UNUDAWPPVUQMQS-NSHDSACASA-N 0 3 380.338 3.915 20 5 GHBDHN COc1ccc(OC(=O)C2CCN(c3ccc(C(C)C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000792118454 880911176 /nfs/dbraw/zinc/91/11/76/880911176.db2.gz OHZRCTIRHSWZCK-KRWDZBQOSA-N 0 3 398.415 3.685 20 5 GHBDHN COc1cc(CNCCc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])cc1O ZINC000532034867 880944236 /nfs/dbraw/zinc/94/42/36/880944236.db2.gz SUNMLUMAGONNKR-UHFFFAOYSA-N 0 3 393.852 3.904 20 5 GHBDHN C[C@]1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453588195 881104458 /nfs/dbraw/zinc/10/44/58/881104458.db2.gz KWGOCWRSKIKFJQ-LJQANCHMSA-N 0 3 389.839 3.799 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000499118008 881188981 /nfs/dbraw/zinc/18/89/81/881188981.db2.gz ZXEDVAOIFYPICD-SQGPQFPESA-N 0 3 396.491 3.926 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000551086623 883264625 /nfs/dbraw/zinc/26/46/25/883264625.db2.gz VYVVSFXJTUAZGR-OAQYLSRUSA-N 0 3 396.491 3.682 20 5 GHBDHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000858823133 883380518 /nfs/dbraw/zinc/38/05/18/883380518.db2.gz NGOWIQXKPLCGLI-UHFFFAOYSA-N 0 3 387.402 3.695 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859353474 883770399 /nfs/dbraw/zinc/77/03/99/883770399.db2.gz HWMVFSUZLKEBDZ-UHFFFAOYSA-N 0 3 377.828 3.578 20 5 GHBDHN O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccc(CN2CCCC2)c1 ZINC000805896204 884182271 /nfs/dbraw/zinc/18/22/71/884182271.db2.gz CLSUOSKBTJWBKK-MOPGFXCFSA-N 0 3 398.463 3.728 20 5 GHBDHN CC([C@H](OC(=O)c1cccc(OC(C)(C)C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000860855164 885055379 /nfs/dbraw/zinc/05/53/79/885055379.db2.gz SZPPEGZWWFOWQC-SJCJKPOMSA-N 0 3 376.384 3.961 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC=C(c2ccccc2)C1 ZINC000556507816 885171181 /nfs/dbraw/zinc/17/11/81/885171181.db2.gz OBJLHGRTLVPDEH-UHFFFAOYSA-N 0 3 381.432 3.721 20 5 GHBDHN Cc1cnc(CCNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)nc1 ZINC000533920691 885308997 /nfs/dbraw/zinc/30/89/97/885308997.db2.gz DRTJPOXWYCEQTJ-UHFFFAOYSA-N 0 3 382.395 3.957 20 5 GHBDHN Cc1c([C@@H](C)N[C@H](CN2CCN(C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000532498306 885871823 /nfs/dbraw/zinc/87/18/23/885871823.db2.gz YMNZZDLWMAWORB-WIYYLYMNSA-N 0 3 382.508 3.543 20 5 GHBDHN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(c2ccnc3ccccc32)CC1 ZINC000808075794 885976354 /nfs/dbraw/zinc/97/63/54/885976354.db2.gz BCVLRULHJGAPIO-UHFFFAOYSA-N 0 3 396.834 3.759 20 5 GHBDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000747468435 886158246 /nfs/dbraw/zinc/15/82/46/886158246.db2.gz RJIVGEXSJDGVCC-FUHWJXTLSA-N 0 3 377.448 3.764 20 5 GHBDHN O=c1[nH]cnc2cc(NC[C@@H](c3cccs3)N3CCCC3)c([N+](=O)[O-])cc12 ZINC000301078259 886470952 /nfs/dbraw/zinc/47/09/52/886470952.db2.gz QWUJWTBVTDTOJB-INIZCTEOSA-N 0 3 385.449 3.554 20 5 GHBDHN Cc1ccc([C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000272471510 887557032 /nfs/dbraw/zinc/55/70/32/887557032.db2.gz AKMFMYCAGWGKBN-NHCUHLMSSA-N 0 3 393.491 3.619 20 5 GHBDHN C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000272527016 887632690 /nfs/dbraw/zinc/63/26/90/887632690.db2.gz MFWUVKDIUMDTDE-UTKZUKDTSA-N 0 3 393.491 3.528 20 5 GHBDHN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c([N+](=O)[O-])c1 ZINC001170686047 890924988 /nfs/dbraw/zinc/92/49/88/890924988.db2.gz LWYUIILYPOXTAV-ZDUSSCGKSA-N 0 3 380.404 3.644 20 5 GHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1nnc2n1CCCCC2 ZINC000872020463 891119416 /nfs/dbraw/zinc/11/94/16/891119416.db2.gz IFGDORWDQCBUBC-ZDUSSCGKSA-N 0 3 375.498 3.528 20 5 GHBDHN CC(COC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)[N+](=O)[O-] ZINC000813106435 891303086 /nfs/dbraw/zinc/30/30/86/891303086.db2.gz CUAFCZLLVBGYEN-NSHDSACASA-N 0 3 387.779 3.879 20 5 GHBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000813522642 891707434 /nfs/dbraw/zinc/70/74/34/891707434.db2.gz ZDITWGGCQPHYAN-IIBYNOLFSA-N 0 3 396.491 3.616 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459591450 893870058 /nfs/dbraw/zinc/87/00/58/893870058.db2.gz ZQVJVHUOVURFBI-UHFFFAOYSA-N 0 3 376.482 3.814 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459668034 894031686 /nfs/dbraw/zinc/03/16/86/894031686.db2.gz SZRKQVROWWWVOR-MRXNPFEDSA-N 0 3 388.386 3.655 20 5 GHBDHN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000817021520 895265565 /nfs/dbraw/zinc/26/55/65/895265565.db2.gz LAIJJFJVAPWAAQ-NSHDSACASA-N 0 3 386.279 3.848 20 5 GHBDHN O=C(C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)NCc1ccc(F)cc1 ZINC000564916820 895309592 /nfs/dbraw/zinc/30/95/92/895309592.db2.gz TZYIZEIRVYGXOF-SFHVURJKSA-N 0 3 385.439 3.652 20 5 GHBDHN CCC[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001185930474 914210937 /nfs/dbraw/zinc/21/09/37/914210937.db2.gz LCLOBOOYYLJZRI-GOSISDBHSA-N 0 3 379.464 3.733 20 5 GHBDHN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823244897 898937862 /nfs/dbraw/zinc/93/78/62/898937862.db2.gz ZVABWFYJCIZXNY-FUHWJXTLSA-N 0 3 378.469 3.605 20 5 GHBDHN COc1cc(CNC[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1OCC(F)F ZINC000824775020 899799076 /nfs/dbraw/zinc/79/90/76/899799076.db2.gz XDUISPSQJZFZBA-AWEZNQCLSA-N 0 3 399.221 3.921 20 5 GHBDHN COc1cc(CNC[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1OCC(F)F ZINC000824775021 899799456 /nfs/dbraw/zinc/79/94/56/899799456.db2.gz XDUISPSQJZFZBA-CQSZACIVSA-N 0 3 399.221 3.921 20 5 GHBDHN Cn1ccnc1[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000825325878 900093804 /nfs/dbraw/zinc/09/38/04/900093804.db2.gz HTCQZLZWQMWXKH-TZMCWYRMSA-N 0 3 385.251 3.645 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)C[C@@H]3c3ccc(F)cc3)o2)c1 ZINC000572383911 900164158 /nfs/dbraw/zinc/16/41/58/900164158.db2.gz SDCIRUSSMRQDNM-RBUKOAKNSA-N 0 3 397.406 3.739 20 5 GHBDHN Cc1c(CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000576578013 902107088 /nfs/dbraw/zinc/10/70/88/902107088.db2.gz AARHPNUHPSBCLJ-KDOFPFPSSA-N 0 3 378.856 3.785 20 5 GHBDHN CCC(=O)c1ccc(OCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872669 902472412 /nfs/dbraw/zinc/47/24/12/902472412.db2.gz LKDQSHIHMSVDOZ-XCLFUZPHSA-N 0 3 389.379 3.747 20 5 GHBDHN COc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC(F)F ZINC000845874416 902476735 /nfs/dbraw/zinc/47/67/35/902476735.db2.gz IEUGUROOMKFHPY-MGPLVRAMSA-N 0 3 399.321 3.999 20 5 GHBDHN COc1ccc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1F ZINC000845874599 902476875 /nfs/dbraw/zinc/47/68/75/902476875.db2.gz IUZQIGOQZUAWIL-BLVKFPJESA-N 0 3 379.359 3.856 20 5 GHBDHN CC([C@@H](OC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000845872971 902477010 /nfs/dbraw/zinc/47/70/10/902477010.db2.gz AZGUXJKBWXZOTO-MLGOLLRUSA-N 0 3 398.431 3.769 20 5 GHBDHN Cc1nn(C)c2sc(C(=O)O[C@H](c3ccccc3F)C(C)[N+](=O)[O-])cc12 ZINC000845873892 902477900 /nfs/dbraw/zinc/47/79/00/902477900.db2.gz XQAKJUWRWSIEAM-BMIGLBTASA-N 0 3 377.397 3.646 20 5 GHBDHN CC([C@@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1F)[N+](=O)[O-] ZINC000845875154 902479475 /nfs/dbraw/zinc/47/94/75/902479475.db2.gz KJJKJABHQVBLFW-WDBKCZKBSA-N 0 3 380.397 3.697 20 5 GHBDHN CC([C@H](OC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845881291 902485474 /nfs/dbraw/zinc/48/54/74/902485474.db2.gz LLRAVRSAYIUVHK-ZSEWYUTFSA-N 0 3 393.333 3.823 20 5 GHBDHN COCc1ccc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000131082426 903055690 /nfs/dbraw/zinc/05/56/90/903055690.db2.gz DHMVJIWVPAHBJR-GOSISDBHSA-N 0 3 387.436 3.808 20 5 GHBDHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000153079214 904328328 /nfs/dbraw/zinc/32/83/28/904328328.db2.gz LNLDWJZTUFRYQL-HNNXBMFYSA-N 0 3 397.460 3.552 20 5 GHBDHN Cc1cc([C@H](N)CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)n1 ZINC000826652430 904676122 /nfs/dbraw/zinc/67/61/22/904676122.db2.gz REJNRFSHANAOMP-OAHLLOKOSA-N 0 3 397.262 3.654 20 5 GHBDHN Cc1csc([C@@H](C)NC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001173012369 906090234 /nfs/dbraw/zinc/09/02/34/906090234.db2.gz RLOCDZZAATTXPP-LLVKDONJSA-N 0 3 382.436 3.958 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)Cc2ccc3c(c2)OCCO3)c1F ZINC001173180759 906259585 /nfs/dbraw/zinc/25/95/85/906259585.db2.gz MXOZHLBNLYDEFQ-ZDUSSCGKSA-N 0 3 390.411 3.577 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001173225963 906308645 /nfs/dbraw/zinc/30/86/45/906308645.db2.gz GTPGSTHFKVMLRY-DGCLKSJQSA-N 0 3 384.358 3.807 20 5 GHBDHN COc1cc(CN[C@@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190949865 906465980 /nfs/dbraw/zinc/46/59/80/906465980.db2.gz HYTGVUFXTIOJCQ-MSOLQXFVSA-N 0 3 386.448 3.840 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H]3COC4(CCCC4)O3)o2)c([N+](=O)[O-])c1 ZINC000773419620 907272576 /nfs/dbraw/zinc/27/25/76/907272576.db2.gz YJLUAGCVTSQDHD-INIZCTEOSA-N 0 3 388.420 3.639 20 5 GHBDHN C[C@@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192746623 908821014 /nfs/dbraw/zinc/82/10/14/908821014.db2.gz MHVSKDCBSGOUFE-JTDSTZFVSA-N 0 3 383.448 3.679 20 5 GHBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000192760401 908821834 /nfs/dbraw/zinc/82/18/34/908821834.db2.gz XODSIHYXEDZCEX-ZWOKBUDYSA-N 0 3 397.475 3.988 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC001182845769 912057644 /nfs/dbraw/zinc/05/76/44/912057644.db2.gz WSSIJWCTYSJQBK-ZDUSSCGKSA-N 0 3 391.855 3.579 20 5 GHBDHN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000293794420 916388365 /nfs/dbraw/zinc/38/83/65/916388365.db2.gz QUEHULWGBZXULR-CHWSQXEVSA-N 0 3 383.452 3.873 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000294347837 916753914 /nfs/dbraw/zinc/75/39/14/916753914.db2.gz FRGIUODIONIPHO-MRXNPFEDSA-N 0 3 395.456 3.617 20 5 GHBDHN O=[N+]([O-])c1cc(CNCCOC[C@H]2CCCO2)ccc1Oc1ccc(F)cc1 ZINC000115625882 919461418 /nfs/dbraw/zinc/46/14/18/919461418.db2.gz YERWIMGLJNCSTI-GOSISDBHSA-N 0 3 390.411 3.811 20 5 GHBDHN CN1CCC(N(Cc2ccco2)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000298322733 920396752 /nfs/dbraw/zinc/39/67/52/920396752.db2.gz SQNMYBIICWBIQH-UHFFFAOYSA-N 0 3 377.828 3.578 20 5 GHBDHN COc1ccc(CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](CO)C(C)C)cc1 ZINC000801537266 921108388 /nfs/dbraw/zinc/10/83/88/921108388.db2.gz TXEAJUHQYDIXBH-HXUWFJFHSA-N 0 3 376.428 3.762 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCc3sccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411150208 926128127 /nfs/dbraw/zinc/12/81/27/926128127.db2.gz ZANIOQPAYARZDR-LBPRGKRZSA-N 0 3 375.450 3.613 20 5 GHBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000411457945 926423219 /nfs/dbraw/zinc/42/32/19/926423219.db2.gz OGNOTWGCAUUMPO-GFCCVEGCSA-N 0 3 377.828 3.936 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2nc(CNC3(CO)C4CC5CC(C4)CC3C5)co2)cc1 ZINC000412001556 926994849 /nfs/dbraw/zinc/99/48/49/926994849.db2.gz HCOWZTIAVUGQTC-UHFFFAOYSA-N 0 3 383.448 3.527 20 5 GHBDHN O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000751661309 928309237 /nfs/dbraw/zinc/30/92/37/928309237.db2.gz IVTNWSLGMQVAIP-MRXNPFEDSA-N 0 3 395.415 3.691 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1ccccc1F)C1CCCC1 ZINC000544119687 928829262 /nfs/dbraw/zinc/82/92/62/928829262.db2.gz CZVNDDORWHBXLZ-KKSFZXQISA-N 0 3 388.439 3.995 20 5 GHBDHN Cc1ccc(Cl)c(OC[C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000544429068 929169959 /nfs/dbraw/zinc/16/99/59/929169959.db2.gz HKCKVUZRQTTXML-GDBMZVCRSA-N 0 3 378.856 3.956 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@H](c3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000467556643 929199658 /nfs/dbraw/zinc/19/96/58/929199658.db2.gz XRFJFDGVDVOBSF-APWZRJJASA-N 0 3 398.459 3.915 20 5 GHBDHN CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757108183 929648139 /nfs/dbraw/zinc/64/81/39/929648139.db2.gz DSEGFMLHNKFQGN-CVEARBPZSA-N 0 3 393.484 3.599 20 5 GHBDHN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470113948 930384595 /nfs/dbraw/zinc/38/45/95/930384595.db2.gz JEFRUTBAHSTAHX-SFHVURJKSA-N 0 3 386.427 3.862 20 5 GHBDHN Cc1ccc([C@@H]2C[C@H](C)N(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000782954719 931374726 /nfs/dbraw/zinc/37/47/26/931374726.db2.gz NTXOHGKCDGGMTQ-QFBILLFUSA-N 0 3 377.448 3.997 20 5 GHBDHN C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925226908 931709409 /nfs/dbraw/zinc/70/94/09/931709409.db2.gz JAGNBYSTGHWORQ-OAHLLOKOSA-N 0 3 386.452 3.555 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)c1 ZINC000557985196 931787642 /nfs/dbraw/zinc/78/76/42/931787642.db2.gz RYOPUSXNVJUCKI-OAQYLSRUSA-N 0 3 399.491 3.835 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C)=C(c2ccco2)C1 ZINC000558731874 932199035 /nfs/dbraw/zinc/19/90/35/932199035.db2.gz CDERCBVIMHPCFS-UHFFFAOYSA-N 0 3 385.420 3.704 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000561804779 934467060 /nfs/dbraw/zinc/46/70/60/934467060.db2.gz LLSWHJXHFHMNKP-AEFFLSMTSA-N 0 3 382.464 3.996 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN(C[C@H](O)c1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 ZINC000828807030 935716138 /nfs/dbraw/zinc/71/61/38/935716138.db2.gz IHPSZRMIIOIHSX-ZJOUEHCJSA-N 0 3 388.439 3.573 20 5 GHBDHN CC(C)Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC001625778006 1014150438 /nfs/dbraw/zinc/15/04/38/1014150438.db2.gz IKPDQZQRYAEBFP-NRFANRHFSA-N 0 3 383.492 3.755 20 5 GHBDHN CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544877899 1015142988 /nfs/dbraw/zinc/14/29/88/1015142988.db2.gz WGTVJBKNKZRXEH-QGZVFWFLSA-N 0 3 387.867 3.985 20 5 GHBDHN COc1cc(OC)cc(N2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000468113510 1015281940 /nfs/dbraw/zinc/28/19/40/1015281940.db2.gz NZHJDRMDSKWUGW-MRXNPFEDSA-N 0 3 385.464 3.885 20 5 GHBDHN Cc1cc(CN)nn1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001156044667 1032853528 /nfs/dbraw/zinc/85/35/28/1032853528.db2.gz QMBQOSQELLWAAC-UHFFFAOYSA-N 0 3 393.781 3.871 20 5 GHBDHN C[C@H]1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCO1 ZINC000779009917 1020191368 /nfs/dbraw/zinc/19/13/68/1020191368.db2.gz QRWGJJFOTSWRLF-UONOGXRCSA-N 0 3 387.402 3.551 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000577990482 1020299502 /nfs/dbraw/zinc/29/95/02/1020299502.db2.gz QBAZQZOXVVFHNP-LJQANCHMSA-N 0 3 382.464 3.895 20 5 GHBDHN COc1ccc(NC(=O)CN[C@H](CC(C)C)c2cccs2)c([N+](=O)[O-])c1 ZINC000578174645 1020338637 /nfs/dbraw/zinc/33/86/37/1020338637.db2.gz DSGGZYZTOGPEOV-OAHLLOKOSA-N 0 3 377.466 3.980 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000801539309 1021410093 /nfs/dbraw/zinc/41/00/93/1021410093.db2.gz FOAUYKUFUWIZGR-HLLBOEOZSA-N 0 3 393.459 3.859 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1Cl ZINC000836782895 1023364040 /nfs/dbraw/zinc/36/40/40/1023364040.db2.gz LPWQJEUCYQNMSM-ACJLOTCBSA-N 0 3 375.856 3.978 20 5 GHBDHN NC(=O)[C@H]1CN(Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)CCO1 ZINC001138811227 1025404256 /nfs/dbraw/zinc/40/42/56/1025404256.db2.gz VLQULKCKLOFWME-OAQYLSRUSA-N 0 3 398.466 3.642 20 5 GHBDHN COC(=O)/C=C/c1ccc(N[C@@H]2CCN(Cc3cccc(C)c3)C2)c([N+](=O)[O-])c1 ZINC001163831126 1026331636 /nfs/dbraw/zinc/33/16/36/1026331636.db2.gz KCCGMBCSJGEMOU-QRBZPYHOSA-N 0 3 395.459 3.776 20 5 GHBDHN COc1cc(CN[C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001203651380 1027507035 /nfs/dbraw/zinc/50/70/35/1027507035.db2.gz HGVJXUHIFBTNPR-GCJKJVERSA-N 0 3 398.459 3.840 20 5 GHBDHN CCN1CCN(Cc2ccc(Nc3c(F)ccc([N+](=O)[O-])c3F)cc2)CC1 ZINC001215295187 1029136296 /nfs/dbraw/zinc/13/62/96/1029136296.db2.gz TVONIUGNJYMTDG-UHFFFAOYSA-N 0 3 376.407 3.754 20 5 GHBDHN Cc1cc([C@H](N)CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(Cl)n1 ZINC000843399950 1029972576 /nfs/dbraw/zinc/97/25/76/1029972576.db2.gz WFIRIHBGSZBJJJ-QGZVFWFLSA-N 0 3 390.871 3.779 20 5 GHBDHN Cc1c(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001216874182 1029974485 /nfs/dbraw/zinc/97/44/85/1029974485.db2.gz ORAGRYMEGQSBFJ-UHFFFAOYSA-N 0 3 383.364 3.590 20 5 GHBDHN COc1cc(CN[C@H]2C[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001461668725 1069668093 /nfs/dbraw/zinc/66/80/93/1069668093.db2.gz NEMZFLRKTYIULU-XYPYZODXSA-N 0 3 380.388 3.528 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001225449635 1031420244 /nfs/dbraw/zinc/42/02/44/1031420244.db2.gz XFWZXIDXTYNCOC-YWZLYKJASA-N 0 3 384.432 3.671 20 5 GHBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC001153802895 1031748845 /nfs/dbraw/zinc/74/88/45/1031748845.db2.gz JCESSFZSLVSIDX-GOSISDBHSA-N 0 3 396.491 3.810 20 5 GHBDHN C[S@](=O)[C@H]1CC[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001461803910 1069758712 /nfs/dbraw/zinc/75/87/12/1069758712.db2.gz DUORUXMRNNAFMB-CAVMCXFUSA-N 0 3 382.869 3.897 20 5 GHBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC001157522085 1033634959 /nfs/dbraw/zinc/63/49/59/1033634959.db2.gz LZFNSJCQHFMUKE-LJQANCHMSA-N 0 3 399.491 3.934 20 5 GHBDHN CN(CCN(C)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)Cc1ccccc1 ZINC001157553605 1033656407 /nfs/dbraw/zinc/65/64/07/1033656407.db2.gz CXJJNNCAKMRUNY-UHFFFAOYSA-N 0 3 384.814 3.756 20 5 GHBDHN C[C@@H](N)c1ccn(-c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])n1 ZINC001158349486 1034038806 /nfs/dbraw/zinc/03/88/06/1034038806.db2.gz CFJMKHDRPPDNHS-SECBINFHSA-N 0 3 377.763 3.780 20 5 GHBDHN COc1cc(O[C@H]2CCCN(C)CC2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230526329 1034103152 /nfs/dbraw/zinc/10/31/52/1034103152.db2.gz VYLAVOVFRNIEDN-ZDUSSCGKSA-N 0 3 399.443 3.532 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001207806907 1034584893 /nfs/dbraw/zinc/58/48/93/1034584893.db2.gz ZIJFZTMJUILGCX-CQSZACIVSA-N 0 3 381.448 3.861 20 5 GHBDHN COc1ccnc(O[C@@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)c1 ZINC001232229033 1035172994 /nfs/dbraw/zinc/17/29/94/1035172994.db2.gz XYNDCSRRRFRKKZ-HXUWFJFHSA-N 0 3 386.455 3.840 20 5 GHBDHN O=[N+]([O-])c1ccc2ncccc2c1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001233786673 1039618228 /nfs/dbraw/zinc/61/82/28/1039618228.db2.gz QRQVEBREYXXXIF-GOSISDBHSA-N 0 3 393.443 3.813 20 5 GHBDHN COc1cc(CN(C)C)cc(F)c1O[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001234243293 1039936652 /nfs/dbraw/zinc/93/66/52/1039936652.db2.gz HDTMIPUZQXNWPJ-LLVKDONJSA-N 0 3 392.383 3.673 20 5 GHBDHN COc1c(O)ccc(CNC[C@H](CC(=O)OC(C)(C)C)CC(C)C)c1[N+](=O)[O-] ZINC001462444242 1070257550 /nfs/dbraw/zinc/25/75/50/1070257550.db2.gz JRHKYPRRNUCNFS-AWEZNQCLSA-N 0 3 396.484 3.793 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccncc3Br)CC2)cc1 ZINC001254469601 1040255552 /nfs/dbraw/zinc/25/55/52/1040255552.db2.gz RNTZREDRWJXVED-UHFFFAOYSA-N 0 3 391.269 3.511 20 5 GHBDHN CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1c1ccccc1 ZINC001254479452 1040266980 /nfs/dbraw/zinc/26/69/80/1040266980.db2.gz ZVBCUADREFMIBN-QFIPXVFZSA-N 0 3 380.492 3.552 20 5 GHBDHN COc1ccccc1Cn1cnc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254545323 1040314813 /nfs/dbraw/zinc/31/48/13/1040314813.db2.gz LYGYSAFNQXEUBD-INIZCTEOSA-N 0 3 380.448 3.569 20 5 GHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001254562608 1040337075 /nfs/dbraw/zinc/33/70/75/1040337075.db2.gz OBKJRNCKYCOMQH-HNNXBMFYSA-N 0 3 393.447 3.850 20 5 GHBDHN CC(C)(C)OC(=O)N1CCC[C@@]12CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594573 1040367957 /nfs/dbraw/zinc/36/79/57/1040367957.db2.gz RRQMRPAYBATTGS-NQIIRXRSSA-N 0 3 387.480 3.537 20 5 GHBDHN Cc1cccc(NC(=O)NC2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254612636 1040384033 /nfs/dbraw/zinc/38/40/33/1040384033.db2.gz XHYQFKPTPHMPOL-OAQYLSRUSA-N 0 3 394.475 3.657 20 5 GHBDHN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)n1 ZINC001462728897 1070503009 /nfs/dbraw/zinc/50/30/09/1070503009.db2.gz LHIKMMRCPRXBBJ-UHFFFAOYSA-N 0 3 382.342 3.631 20 5 GHBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001297931190 1045663066 /nfs/dbraw/zinc/66/30/66/1045663066.db2.gz XMKZQWYFWMSVNT-UHFFFAOYSA-N 0 3 391.512 3.966 20 5 GHBDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])N(C)C ZINC001307114834 1049083752 /nfs/dbraw/zinc/08/37/52/1049083752.db2.gz QEJKUVNPVOICGI-FOIQADDNSA-N 0 3 394.475 3.858 20 5 GHBDHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001308079575 1049824085 /nfs/dbraw/zinc/82/40/85/1049824085.db2.gz MKBZOOBBYLYHKM-KGLIPLIRSA-N 0 3 394.903 3.524 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)COc3cccc(F)c3)o2)cc1 ZINC001308221550 1049918074 /nfs/dbraw/zinc/91/80/74/1049918074.db2.gz CKNZYAKIOMWBSD-KRWDZBQOSA-N 0 3 386.379 3.523 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC001290890758 1049944806 /nfs/dbraw/zinc/94/48/06/1049944806.db2.gz AZMDWMZLKMJEPQ-OAHLLOKOSA-N 0 3 379.526 3.949 20 5 GHBDHN COc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC000903079709 1049958523 /nfs/dbraw/zinc/95/85/23/1049958523.db2.gz NRQILEVVEGBABP-JKSUJKDBSA-N 0 3 385.464 3.852 20 5 GHBDHN COC(=O)CC[C@H](CC1CCCCC1)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308836259 1050115388 /nfs/dbraw/zinc/11/53/88/1050115388.db2.gz QPFJSKKXYDRGDU-MRXNPFEDSA-N 0 3 394.468 3.691 20 5 GHBDHN COC(=O)CC[C@H](CC1CCCCC1)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001308836259 1050115397 /nfs/dbraw/zinc/11/53/97/1050115397.db2.gz QPFJSKKXYDRGDU-MRXNPFEDSA-N 0 3 394.468 3.691 20 5 GHBDHN Cc1ccc(CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001308903686 1050152260 /nfs/dbraw/zinc/15/22/60/1050152260.db2.gz JLPIMCBHBNZXEQ-AWEZNQCLSA-N 0 3 385.411 3.638 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001310800431 1051600567 /nfs/dbraw/zinc/60/05/67/1051600567.db2.gz PNAZPXYPIMYMEE-HNNXBMFYSA-N 0 3 386.427 3.720 20 5 GHBDHN C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001312253729 1052662145 /nfs/dbraw/zinc/66/21/45/1052662145.db2.gz LWLUVPHXNALMJC-ZHALLVOQSA-N 0 3 396.491 3.661 20 5 GHBDHN C[C@@H](CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001313352182 1053027928 /nfs/dbraw/zinc/02/79/28/1053027928.db2.gz NAADJLHXQNEVSX-HTAPYJJXSA-N 0 3 396.491 3.662 20 5 GHBDHN CC(C)(C)N1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC001317910621 1054303764 /nfs/dbraw/zinc/30/37/64/1054303764.db2.gz SMOPDQAYRMRLKF-UHFFFAOYSA-N 0 3 393.285 3.826 20 5 GHBDHN C[C@H](NCCNC(=O)c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001319894958 1055526825 /nfs/dbraw/zinc/52/68/25/1055526825.db2.gz IWDYXUIRQIGIBK-LBPRGKRZSA-N 0 3 381.354 3.694 20 5 GHBDHN COc1cc(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)c([N+](=O)[O-])cc1[O-] ZINC001200535210 1056262873 /nfs/dbraw/zinc/26/28/73/1056262873.db2.gz ZWMMAHKXDBOFTD-OAHLLOKOSA-N 0 3 385.464 3.624 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001442268874 1058942650 /nfs/dbraw/zinc/94/26/50/1058942650.db2.gz YAPNYWTZGILNDJ-SWLSCSKDSA-N 0 3 391.830 3.953 20 5 GHBDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC001450788535 1060690266 /nfs/dbraw/zinc/69/02/66/1060690266.db2.gz OQQQZLYCQLGLSS-QGZVFWFLSA-N 0 3 375.494 3.888 20 5 GHBDHN Cc1cc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)c(N)c([N+](=O)[O-])c1 ZINC001455650429 1062247110 /nfs/dbraw/zinc/24/71/10/1062247110.db2.gz OUQUPCKFUJSVKA-UHFFFAOYSA-N 0 3 396.369 3.818 20 5 GHBDHN CC([C@@H](OC(=O)Cc1cccc(C(F)(F)F)n1)c1ccccc1F)[N+](=O)[O-] ZINC001348939134 1063425562 /nfs/dbraw/zinc/42/55/62/1063425562.db2.gz GBCBDMKGDJPONY-MGPLVRAMSA-N 0 3 386.301 3.732 20 5 GHBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001437766089 1063928028 /nfs/dbraw/zinc/92/80/28/1063928028.db2.gz FMCNBBTXBIGUPG-OAHLLOKOSA-N 0 3 385.386 3.750 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1Cl ZINC001360412252 1068490530 /nfs/dbraw/zinc/49/05/30/1068490530.db2.gz OQDQFUFNDMCZDE-MRXNPFEDSA-N 0 3 387.867 3.951 20 5 GHBDHN CCCCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001460071319 1068760556 /nfs/dbraw/zinc/76/05/56/1068760556.db2.gz ADZLSHQIEOZEOM-HZPDHXFCSA-N 0 3 383.876 3.760 20 5 GHBDHN CC[C@@H](NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCCOC1 ZINC001460684997 1069084780 /nfs/dbraw/zinc/08/47/80/1069084780.db2.gz BIAOORFUSDQJHT-SMDDNHRTSA-N 0 3 380.832 3.593 20 5 GHBDHN CN(CCCN(C)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])Cc1ccco1 ZINC001472777615 1073661304 /nfs/dbraw/zinc/66/13/04/1073661304.db2.gz HZZDYQZJLOKNFA-UHFFFAOYSA-N 0 3 399.407 3.603 20 5 GHBDHN CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1Cc1ccccc1 ZINC001472780007 1073662438 /nfs/dbraw/zinc/66/24/38/1073662438.db2.gz OCZVSQWFNKKMNK-MRXNPFEDSA-N 0 3 379.382 3.977 20 5 GHBDHN CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC001473291026 1073908601 /nfs/dbraw/zinc/90/86/01/1073908601.db2.gz LGLIABCIBNUFPI-UHFFFAOYSA-N 0 3 383.448 3.771 20 5 GHBDHN CC(C)(C)OC(=O)N[C@H](CNC(C)(C)c1ccccc1[N+](=O)[O-])CC(F)F ZINC001474161515 1074280090 /nfs/dbraw/zinc/28/00/90/1074280090.db2.gz VTDHLGQRUUYEOJ-LBPRGKRZSA-N 0 3 387.427 3.968 20 5 GHBDHN CC[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)N1CCc2ccccc2C1 ZINC001476341812 1075129774 /nfs/dbraw/zinc/12/97/74/1075129774.db2.gz AGEJEBIFIGBUDV-LJQANCHMSA-N 0 3 382.464 3.862 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@@H]3Cc4ccccc4[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC001560615678 1126213869 /nfs/dbraw/zinc/21/38/69/1126213869.db2.gz XUUVAUDWUUCXLW-WIYYLYMNSA-N 0 3 380.400 3.611 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC000822271191 607019093 /nfs/dbraw/zinc/01/90/93/607019093.db2.gz PYKUKAOLNCYUFZ-AWEZNQCLSA-N 0 3 398.492 3.667 20 5 GHBDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180650887 837423056 /nfs/dbraw/zinc/42/30/56/837423056.db2.gz VZGQRWRXGPGTLQ-MGPUTAFESA-N 0 3 396.447 3.534 20 5 GHBDHN CCC(CC)Nc1ccncc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582030889 837776878 /nfs/dbraw/zinc/77/68/78/837776878.db2.gz MAHYMTPQKFQKBG-UHFFFAOYSA-N 0 3 381.436 3.675 20 5 GHBDHN CC(C)NC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000052486084 834799377 /nfs/dbraw/zinc/79/93/77/834799377.db2.gz FATBDBQEAFCFAP-IBGZPJMESA-N 0 3 388.443 3.587 20 5 GHBDHN CN1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000179464116 835733428 /nfs/dbraw/zinc/73/34/28/835733428.db2.gz YIEZFOXKBACDGT-RTBURBONSA-N 0 3 382.464 3.575 20 5 GHBDHN COc1cccc2c1OC[C@H](NCc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000609122368 835779221 /nfs/dbraw/zinc/77/92/21/835779221.db2.gz XOYHAFSSCOKWMP-OAHLLOKOSA-N 0 3 380.400 3.957 20 5 GHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179512991 835786612 /nfs/dbraw/zinc/78/66/12/835786612.db2.gz TUJYEWLAMWXPOU-OAHLLOKOSA-N 0 3 385.468 3.757 20 5 GHBDHN CN(C)C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000610761793 844140259 /nfs/dbraw/zinc/14/02/59/844140259.db2.gz CLEFUIHIUSXXJU-INIZCTEOSA-N 0 3 397.475 3.862 20 5 GHBDHN C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000062488645 836231694 /nfs/dbraw/zinc/23/16/94/836231694.db2.gz HRFKYZTXWZTNPN-HNNXBMFYSA-N 0 3 388.443 3.568 20 5 GHBDHN Cc1ccc([C@@H](CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)N2CCOCC2)o1 ZINC000236717512 836467307 /nfs/dbraw/zinc/46/73/07/836467307.db2.gz YHEOYECRGZLYDB-HXUWFJFHSA-N 0 3 387.480 3.783 20 5 GHBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000043231224 836523860 /nfs/dbraw/zinc/52/38/60/836523860.db2.gz MUQDQTPNJAUIHE-KRWDZBQOSA-N 0 3 388.493 3.635 20 5 GHBDHN CC(C)(NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000431678839 836719092 /nfs/dbraw/zinc/71/90/92/836719092.db2.gz MYEACJCPZQJGAO-IBGZPJMESA-N 0 3 396.491 3.794 20 5 GHBDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275368477 836906730 /nfs/dbraw/zinc/90/67/30/836906730.db2.gz WSLXXTDIADNUIH-RXVVDRJESA-N 0 3 396.447 3.825 20 5 GHBDHN CN(C)Cc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000024809242 844252208 /nfs/dbraw/zinc/25/22/08/844252208.db2.gz MMPIRNRDLYIKKH-UHFFFAOYSA-N 0 3 385.467 3.855 20 5 GHBDHN CCN1CCC(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275575024 837323351 /nfs/dbraw/zinc/32/33/51/837323351.db2.gz YCFQPVYGWBZFHV-UHFFFAOYSA-N 0 3 385.414 3.586 20 5 GHBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000893067048 837921539 /nfs/dbraw/zinc/92/15/39/837921539.db2.gz KEAJSIYZSRDWHE-FXAWDEMLSA-N 0 3 386.448 3.875 20 5 GHBDHN CCN1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(C)c2)CC1 ZINC000025186449 844301010 /nfs/dbraw/zinc/30/10/10/844301010.db2.gz GUOYGGZIJICNQK-UHFFFAOYSA-N 0 3 382.464 3.606 20 5 GHBDHN COc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000500955978 844307403 /nfs/dbraw/zinc/30/74/03/844307403.db2.gz FQTTXQJAGHWOFY-KRWDZBQOSA-N 0 3 399.447 3.778 20 5 GHBDHN C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000121129441 838557145 /nfs/dbraw/zinc/55/71/45/838557145.db2.gz MMEWDYNLXMVUGF-GFCCVEGCSA-N 0 3 392.253 3.864 20 5 GHBDHN O=C1CCCN1[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000414544283 838616950 /nfs/dbraw/zinc/61/69/50/838616950.db2.gz CZCGIQYYAVUCAZ-QGZVFWFLSA-N 0 3 383.448 3.832 20 5 GHBDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000155591057 838715341 /nfs/dbraw/zinc/71/53/41/838715341.db2.gz TYQLJMOGJXHLFO-AWEZNQCLSA-N 0 3 391.855 3.856 20 5 GHBDHN COc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C ZINC000549243210 839505317 /nfs/dbraw/zinc/50/53/17/839505317.db2.gz YYOLYEJPRKXXFP-INIZCTEOSA-N 0 3 391.855 3.598 20 5 GHBDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610445959 839721606 /nfs/dbraw/zinc/72/16/06/839721606.db2.gz LRIKKBJCZOXYQM-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN CSC[C@H](CCO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000124208304 840821288 /nfs/dbraw/zinc/82/12/88/840821288.db2.gz PNLLPUQEXLPDFC-HNNXBMFYSA-N 0 3 380.441 3.730 20 5 GHBDHN C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000108442496 841616184 /nfs/dbraw/zinc/61/61/84/841616184.db2.gz NJJAUNMRFPKFBQ-PBHICJAKSA-N 0 3 388.493 3.854 20 5 GHBDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157827230 841648089 /nfs/dbraw/zinc/64/80/89/841648089.db2.gz MZKLESRILCRIHG-CQSZACIVSA-N 0 3 387.484 3.843 20 5 GHBDHN CC1(C)C[C@H](NCc2ccccc2CS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279033284 842488684 /nfs/dbraw/zinc/48/86/84/842488684.db2.gz ISICAJYIULFFQV-IBGZPJMESA-N 0 3 388.489 3.652 20 5 GHBDHN O=C(NC[C@H]1CCN1C1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600230524 861317627 /nfs/dbraw/zinc/31/76/27/861317627.db2.gz SZPMBRWYNUEYEC-CQSZACIVSA-N 0 3 385.386 3.750 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000512111284 842532215 /nfs/dbraw/zinc/53/22/15/842532215.db2.gz GHSCHRFKYYVXSG-FXAWDEMLSA-N 0 3 396.491 3.614 20 5 GHBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000408351874 842742840 /nfs/dbraw/zinc/74/28/40/842742840.db2.gz JQEXDLZCLPGPJT-UPJWGTAASA-N 0 3 383.290 3.594 20 5 GHBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(CCC(C)(C)C)CC1 ZINC000055934771 861359751 /nfs/dbraw/zinc/35/97/51/861359751.db2.gz ASHCNSPIDXJADJ-HNNXBMFYSA-N 0 3 387.484 3.760 20 5 GHBDHN Cc1ccc2c(c1)CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000512275879 843299439 /nfs/dbraw/zinc/29/94/39/843299439.db2.gz KDBRZEBGRWJTQX-UHFFFAOYSA-N 0 3 379.416 3.995 20 5 GHBDHN COC[C@@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)OC ZINC000512395808 843636035 /nfs/dbraw/zinc/63/60/35/843636035.db2.gz BCVWGGUHQMOXJM-CQSZACIVSA-N 0 3 380.828 3.792 20 5 GHBDHN C[C@](CO)(NC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000512888665 843940606 /nfs/dbraw/zinc/94/06/06/843940606.db2.gz BQPAQRYSXNKSGZ-MJICGBHWSA-N 0 3 391.265 3.868 20 5 GHBDHN COc1cc(CN2CCCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000512481034 843966917 /nfs/dbraw/zinc/96/69/17/843966917.db2.gz RPHMZBRRUQOFAC-JSGCOSHPSA-N 0 3 388.411 3.720 20 5 GHBDHN C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433305328 843993209 /nfs/dbraw/zinc/99/32/09/843993209.db2.gz PSWYXZCBIMGNIY-VBKZILBWSA-N 0 3 392.459 3.705 20 5 GHBDHN CN(CCSc1ncc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000432916808 844643142 /nfs/dbraw/zinc/64/31/42/844643142.db2.gz JXXUSQAPUROMHC-UHFFFAOYSA-N 0 3 382.283 3.976 20 5 GHBDHN COc1cc(CN[C@@H]2C[C@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000190335169 844823838 /nfs/dbraw/zinc/82/38/38/844823838.db2.gz GJJAQNVAJRIIMC-QWFCFKBJSA-N 0 3 398.459 3.840 20 5 GHBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000843806809 861558352 /nfs/dbraw/zinc/55/83/52/861558352.db2.gz YIUHALUSMFLXRW-SCLBCKFNSA-N 0 3 391.468 3.917 20 5 GHBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1Cl ZINC000539068693 845817794 /nfs/dbraw/zinc/81/77/94/845817794.db2.gz GATRZTOUSSSZAW-ZDUSSCGKSA-N 0 3 387.827 3.559 20 5 GHBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536504704 846040107 /nfs/dbraw/zinc/04/01/07/846040107.db2.gz AANWGZNHVLTOTJ-GOSISDBHSA-N 0 3 378.432 3.643 20 5 GHBDHN CCOc1ccc([C@@H](C)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000551556993 846433861 /nfs/dbraw/zinc/43/38/61/846433861.db2.gz AWNYJYKLBXEQDA-BEFAXECRSA-N 0 3 387.480 3.956 20 5 GHBDHN CCOc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000236998077 846460156 /nfs/dbraw/zinc/46/01/56/846460156.db2.gz YKLVFOUPSBEFTA-UHFFFAOYSA-N 0 3 396.447 3.692 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000501499087 846965293 /nfs/dbraw/zinc/96/52/93/846965293.db2.gz DHIKDXBHUHYBDY-MRXNPFEDSA-N 0 3 393.237 3.850 20 5 GHBDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413241398 847032175 /nfs/dbraw/zinc/03/21/75/847032175.db2.gz OBUAFPCZFPOTSO-OAHLLOKOSA-N 0 3 397.504 3.866 20 5 GHBDHN Cc1c(CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000480071582 848062488 /nfs/dbraw/zinc/06/24/88/848062488.db2.gz JRVWJFDJCALPGA-QGZVFWFLSA-N 0 3 396.491 3.709 20 5 GHBDHN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000178646669 848207427 /nfs/dbraw/zinc/20/74/27/848207427.db2.gz KYWVACSPBMQLEP-GJZGRUSLSA-N 0 3 383.448 3.664 20 5 GHBDHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000135754622 848532103 /nfs/dbraw/zinc/53/21/03/848532103.db2.gz HSCJCMQNUMIMDF-UHFFFAOYSA-N 0 3 389.477 3.647 20 5 GHBDHN COC(=O)c1cc(NC2CCN([C@H](C)c3ccncc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000425239289 849889235 /nfs/dbraw/zinc/88/92/35/849889235.db2.gz NRYZRGHEUSFHJI-OAHLLOKOSA-N 0 3 398.463 3.722 20 5 GHBDHN C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000057398831 862073238 /nfs/dbraw/zinc/07/32/38/862073238.db2.gz FOLBIMJENGROOM-UZLBHIALSA-N 0 3 382.464 3.792 20 5 GHBDHN CC1CCN([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000518796751 850158730 /nfs/dbraw/zinc/15/87/30/850158730.db2.gz XPFHNMKFAXWOGW-HXUWFJFHSA-N 0 3 385.439 3.937 20 5 GHBDHN CCOc1ccc([C@H](C)N[C@@H](Cc2ccccc2)[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000504917988 850429809 /nfs/dbraw/zinc/42/98/09/850429809.db2.gz FNYBZJKTBPUPCZ-AXHNFQJDSA-N 0 3 394.418 3.881 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000439913789 850579053 /nfs/dbraw/zinc/57/90/53/850579053.db2.gz WZFUBRYFARSCNS-QFBILLFUSA-N 0 3 384.436 3.560 20 5 GHBDHN C[C@H](CO[C@H]1CCOC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000151246554 850635026 /nfs/dbraw/zinc/63/50/26/850635026.db2.gz XTIWFHYQBKHWOS-DOMZBBRYSA-N 0 3 380.828 3.792 20 5 GHBDHN C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000732414554 862280660 /nfs/dbraw/zinc/28/06/60/862280660.db2.gz QQLCIHLFICEQJR-ZDUSSCGKSA-N 0 3 376.844 3.890 20 5 GHBDHN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NCc1ccco1 ZINC000111398901 852097914 /nfs/dbraw/zinc/09/79/14/852097914.db2.gz WPRJNRNROBXZPC-ZDUSSCGKSA-N 0 3 385.445 3.711 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2CN(C)C)c1 ZINC000436725433 852228838 /nfs/dbraw/zinc/22/88/38/852228838.db2.gz QTLLPVOLYNSWMP-HNNXBMFYSA-N 0 3 385.489 3.840 20 5 GHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436805707 852364947 /nfs/dbraw/zinc/36/49/47/852364947.db2.gz FXSOVMRRKVUNOO-SSZFMOIBSA-N 0 3 395.459 3.598 20 5 GHBDHN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000489871502 852639126 /nfs/dbraw/zinc/63/91/26/852639126.db2.gz JLHLUCZPQVBWDZ-ZDUSSCGKSA-N 0 3 398.385 3.606 20 5 GHBDHN CCOc1ccc(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)cc1[N+](=O)[O-] ZINC000029414841 853091649 /nfs/dbraw/zinc/09/16/49/853091649.db2.gz VBJDADPQZFXZKE-KRWDZBQOSA-N 0 3 391.493 3.868 20 5 GHBDHN COC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000516919230 853157861 /nfs/dbraw/zinc/15/78/61/853157861.db2.gz DVGXPVVXMJEVCD-ACJLOTCBSA-N 0 3 391.855 3.943 20 5 GHBDHN C[C@H]1[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000490964655 853375529 /nfs/dbraw/zinc/37/55/29/853375529.db2.gz BVHNCRHRGUGZHE-QFBILLFUSA-N 0 3 396.491 3.792 20 5 GHBDHN CC(C)Oc1ccc([C@@H](CNCc2ccc([N+](=O)[O-])cc2F)N(C)C)cc1 ZINC000588929767 854598515 /nfs/dbraw/zinc/59/85/15/854598515.db2.gz DFPXBSKJKZTVNW-HXUWFJFHSA-N 0 3 375.444 3.914 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNC3(Cc4ccc(F)cc4)CCOCC3)nc2c1 ZINC000590186778 855312636 /nfs/dbraw/zinc/31/26/36/855312636.db2.gz GOJNFCYKNJMNBY-UHFFFAOYSA-N 0 3 385.395 3.757 20 5 GHBDHN COC(=O)c1c(Cl)c(NC[C@@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000590570254 855494193 /nfs/dbraw/zinc/49/41/93/855494193.db2.gz XYLCEZCQNGDXPG-LBPRGKRZSA-N 0 3 383.857 3.811 20 5 GHBDHN C[C@H](NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000465666042 855544884 /nfs/dbraw/zinc/54/48/84/855544884.db2.gz RGPPJRDXUZQEFR-MSOLQXFVSA-N 0 3 396.491 3.962 20 5 GHBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1(CC)CC ZINC000482151934 862745837 /nfs/dbraw/zinc/74/58/37/862745837.db2.gz VBRCJFCPULAZAQ-HZPDHXFCSA-N 0 3 383.876 3.760 20 5 GHBDHN CO[C@@](C)(CNCc1cc(Cl)ccc1[N+](=O)[O-])COCc1ccccc1 ZINC000702820786 856996970 /nfs/dbraw/zinc/99/69/70/856996970.db2.gz JLGZXUKMIBHHJU-IBGZPJMESA-N 0 3 378.856 3.960 20 5 GHBDHN COc1cc(C(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000592693966 857027268 /nfs/dbraw/zinc/02/72/68/857027268.db2.gz FPELEXVBKGHGCD-IBGZPJMESA-N 0 3 397.475 3.729 20 5 GHBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC001128960616 857100441 /nfs/dbraw/zinc/10/04/41/857100441.db2.gz BDFMILQLTDAQPH-MRXNPFEDSA-N 0 3 381.476 3.806 20 5 GHBDHN CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000132184254 857836052 /nfs/dbraw/zinc/83/60/52/857836052.db2.gz RJCABXQADCMTPH-HXUWFJFHSA-N 0 3 378.432 3.668 20 5 GHBDHN COc1cc(CN(C[C@@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000078515884 858072317 /nfs/dbraw/zinc/07/23/17/858072317.db2.gz WMHBZAMTRQJCJL-GFCCVEGCSA-N 0 3 388.411 3.720 20 5 GHBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121043562 858153293 /nfs/dbraw/zinc/15/32/93/858153293.db2.gz BVFZWDQCELODKT-FQEVSTJZSA-N 0 3 390.443 3.710 20 5 GHBDHN Cc1cc(Br)c(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000594732512 858267599 /nfs/dbraw/zinc/26/75/99/858267599.db2.gz MBHLHYLUGLPTCG-UHFFFAOYSA-N 0 3 398.282 3.846 20 5 GHBDHN COc1cc(CNC[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594954344 858344068 /nfs/dbraw/zinc/34/40/68/858344068.db2.gz KMZIQHBACIKSTE-GFCCVEGCSA-N 0 3 399.369 3.833 20 5 GHBDHN CCS(=O)(=O)C1(CN[C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000595105899 858407312 /nfs/dbraw/zinc/40/73/12/858407312.db2.gz UFOWVJLOVGQLTP-CYBMUJFWSA-N 0 3 394.518 3.941 20 5 GHBDHN COc1ccc(-c2cc(CN[C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)on2)cc1 ZINC000595077795 858412164 /nfs/dbraw/zinc/41/21/64/858412164.db2.gz XDMFYZZIBSQVKR-MJGOQNOKSA-N 0 3 397.435 3.728 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CCc3ccccc3-n3ccnc32)n1 ZINC000596096590 858782841 /nfs/dbraw/zinc/78/28/41/858782841.db2.gz UWMDUIVRZYFKRZ-JENIJYKNSA-N 0 3 392.463 3.738 20 5 GHBDHN CCN(C)Cc1cc(O[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552961 881379351 /nfs/dbraw/zinc/37/93/51/881379351.db2.gz IZWMEJULVIYVLB-PVHVJQTOSA-N 0 3 396.491 3.608 20 5 GHBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1ccco1 ZINC000597092207 859279196 /nfs/dbraw/zinc/27/91/96/859279196.db2.gz JJVFHHVTHYFILX-MFKMUULPSA-N 0 3 395.847 3.674 20 5 GHBDHN CCN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249294386 859293428 /nfs/dbraw/zinc/29/34/28/859293428.db2.gz LSDUCRPULBNRAT-UTKZUKDTSA-N 0 3 396.491 3.962 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000601620099 859381759 /nfs/dbraw/zinc/38/17/59/859381759.db2.gz GRKNNRQIHPCXMF-UHFFFAOYSA-N 0 3 395.362 3.519 20 5 GHBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000611214135 859647359 /nfs/dbraw/zinc/64/73/59/859647359.db2.gz VIAZJTCGGSCTQJ-MRXNPFEDSA-N 0 3 389.521 3.938 20 5 GHBDHN Cc1c(Br)c(N2CCCC[C@@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000543436708 859719033 /nfs/dbraw/zinc/71/90/33/859719033.db2.gz OGVNOBIPBGPPBK-CYBMUJFWSA-N 0 3 383.290 3.515 20 5 GHBDHN COC[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000611396760 859736453 /nfs/dbraw/zinc/73/64/53/859736453.db2.gz JMLOSNRMNIOAIM-KRWDZBQOSA-N 0 3 384.354 3.970 20 5 GHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765033061 859741153 /nfs/dbraw/zinc/74/11/53/859741153.db2.gz OBAMMEWKOJLUIC-QRWLVFNGSA-N 0 3 375.469 3.989 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000765238469 859859966 /nfs/dbraw/zinc/85/99/66/859859966.db2.gz DEYBMNPOMOQFNS-WLVHGYOUSA-N 0 3 379.460 3.635 20 5 GHBDHN O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)C(C[C@H]1CCCO1)C(F)(F)F ZINC000602381772 860002931 /nfs/dbraw/zinc/00/29/31/860002931.db2.gz ILTHSUBSWDEBSO-MFKMUULPSA-N 0 3 383.326 3.829 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNC3CC(N4CCC(C(F)(F)F)CC4)C3)nc2c1 ZINC000602649805 860181116 /nfs/dbraw/zinc/18/11/16/860181116.db2.gz QGBYNEATJXZKCB-UHFFFAOYSA-N 0 3 398.385 3.631 20 5 GHBDHN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NCc2c([N+](=O)[O-])ncn2C)cc1 ZINC000484658271 860232928 /nfs/dbraw/zinc/23/29/28/860232928.db2.gz XBRYILWDEOTRCF-IEBWSBKVSA-N 0 3 388.468 3.597 20 5 GHBDHN CC(C)NC(=O)c1ccc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000025497645 860325862 /nfs/dbraw/zinc/32/58/62/860325862.db2.gz CZNMQJOEMDEQBI-UHFFFAOYSA-N 0 3 396.491 3.593 20 5 GHBDHN Cc1c(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025536589 860535104 /nfs/dbraw/zinc/53/51/04/860535104.db2.gz PEABULHFMAICTP-NRFANRHFSA-N 0 3 381.476 3.716 20 5 GHBDHN Cn1cc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000896226713 860554837 /nfs/dbraw/zinc/55/48/37/860554837.db2.gz HZDBVZSJLIXQRR-INIZCTEOSA-N 0 3 398.360 3.862 20 5 GHBDHN CCOc1ccccc1NC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155732875 860589476 /nfs/dbraw/zinc/58/94/76/860589476.db2.gz GCEOKBSBXCKDOU-UHFFFAOYSA-N 0 3 383.448 3.987 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@@H](C)C2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000125362716 860647662 /nfs/dbraw/zinc/64/76/62/860647662.db2.gz FUKJUUWNJDPUFA-HRAATJIYSA-N 0 3 397.475 3.988 20 5 GHBDHN Cc1ccc(NC(=O)[C@@H](N[C@@H](C)C2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000125362931 860647687 /nfs/dbraw/zinc/64/76/87/860647687.db2.gz FUKJUUWNJDPUFA-KKSFZXQISA-N 0 3 397.475 3.988 20 5 GHBDHN Cc1ccc(Sc2ccc(CNC[C@@H](O)[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 ZINC000598988362 860704020 /nfs/dbraw/zinc/70/40/20/860704020.db2.gz QILUFWDVIRAMKT-MOPGFXCFSA-N 0 3 388.489 3.684 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474779503 860763614 /nfs/dbraw/zinc/76/36/14/860763614.db2.gz JAGYRNGQHTUEIN-WFASDCNBSA-N 0 3 391.269 4.000 20 5 GHBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444027248 863167956 /nfs/dbraw/zinc/16/79/56/863167956.db2.gz BPBONQSWDQMIPL-KRWDZBQOSA-N 0 3 377.488 3.676 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(N3CCCN(Cc4ccc(F)cc4)CC3)ccc2c1 ZINC000301076075 865139239 /nfs/dbraw/zinc/13/92/39/865139239.db2.gz JAPHGPVFLDRFDJ-UHFFFAOYSA-N 0 3 380.423 3.994 20 5 GHBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594197513 865337749 /nfs/dbraw/zinc/33/77/49/865337749.db2.gz OWBYDAMUASLMOL-SJORKVTESA-N 0 3 377.510 3.844 20 5 GHBDHN CSc1cccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000186512009 866047339 /nfs/dbraw/zinc/04/73/39/866047339.db2.gz PBEMYYKGYYDUKD-MRXNPFEDSA-N 0 3 385.489 3.711 20 5 GHBDHN Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183138779 866266972 /nfs/dbraw/zinc/26/69/72/866266972.db2.gz IMKNYXCBLYZSTE-GJZGRUSLSA-N 0 3 393.447 3.767 20 5 GHBDHN COc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000456351406 866472832 /nfs/dbraw/zinc/47/28/32/866472832.db2.gz WWNUKANFDHELQQ-INIZCTEOSA-N 0 3 397.475 3.506 20 5 GHBDHN C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000594489923 866782479 /nfs/dbraw/zinc/78/24/79/866782479.db2.gz HUPRYBACTCZTAK-DRSNIGMVSA-N 0 3 395.503 3.981 20 5 GHBDHN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1C ZINC000183531101 866836418 /nfs/dbraw/zinc/83/64/18/866836418.db2.gz XLBISXVBXJWXLY-UHFFFAOYSA-N 0 3 391.855 3.992 20 5 GHBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000457093392 867650568 /nfs/dbraw/zinc/65/05/68/867650568.db2.gz ODDUCXMBOQNPJI-GOSISDBHSA-N 0 3 397.475 3.729 20 5 GHBDHN CN(C)[C@]1(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCSC1 ZINC000479467161 867861121 /nfs/dbraw/zinc/86/11/21/867861121.db2.gz VKGGKLVWQGNFLP-FQEVSTJZSA-N 0 3 385.489 3.675 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534983386 867896817 /nfs/dbraw/zinc/89/68/17/867896817.db2.gz YIXBSBDZYACJDQ-INIZCTEOSA-N 0 3 392.459 3.813 20 5 GHBDHN COc1ccc(OC(=O)C2CCN(c3ccc(C(C)C)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000744035105 868563780 /nfs/dbraw/zinc/56/37/80/868563780.db2.gz OSDZKRJAJKJNDM-QGZVFWFLSA-N 0 3 398.415 3.685 20 5 GHBDHN COc1ccc(NC(=O)CNC2(c3ccccc3)CCCCC2)c([N+](=O)[O-])c1 ZINC000440931584 869298356 /nfs/dbraw/zinc/29/83/56/869298356.db2.gz XGQWZDHLVOKPLM-UHFFFAOYSA-N 0 3 383.448 3.991 20 5 GHBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440934753 869318974 /nfs/dbraw/zinc/31/89/74/869318974.db2.gz UKNCWJDUFGGRJX-QAPCUYQASA-N 0 3 394.475 3.562 20 5 GHBDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000152855591 869483206 /nfs/dbraw/zinc/48/32/06/869483206.db2.gz CLDXZEYIYQMEQO-SFHVURJKSA-N 0 3 381.476 3.650 20 5 GHBDHN CC[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)N1CCc2ccccc2C1 ZINC000446496980 869933191 /nfs/dbraw/zinc/93/31/91/869933191.db2.gz WAGXLRQBRHYHOX-SFHVURJKSA-N 0 3 382.464 3.862 20 5 GHBDHN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000441073514 870171100 /nfs/dbraw/zinc/17/11/00/870171100.db2.gz SGHAGORZAYEYNH-VGOFRKELSA-N 0 3 376.460 3.870 20 5 GHBDHN CCOc1ccc2c(c1)CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000441077857 870245214 /nfs/dbraw/zinc/24/52/14/870245214.db2.gz HUGXDJHDHVPOSD-UHFFFAOYSA-N 0 3 383.448 3.689 20 5 GHBDHN CC(C)OC(=O)C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001169187221 871284901 /nfs/dbraw/zinc/28/49/01/871284901.db2.gz DUVNZKLKDXCCME-LJQANCHMSA-N 0 3 399.447 3.596 20 5 GHBDHN COc1ccc(OCCN(C)Cc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000441236564 871356887 /nfs/dbraw/zinc/35/68/87/871356887.db2.gz UTZAFMFSGKBVTO-UHFFFAOYSA-N 0 3 395.253 3.877 20 5 GHBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181872562 871583882 /nfs/dbraw/zinc/58/38/82/871583882.db2.gz QUDVPSIMARDKDW-INIZCTEOSA-N 0 3 382.464 3.793 20 5 GHBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccccc2Br)n1 ZINC000447538806 871806393 /nfs/dbraw/zinc/80/63/93/871806393.db2.gz DJFAGDQNXWJPSE-LSDHHAIUSA-N 0 3 379.258 3.827 20 5 GHBDHN Cn1nccc1N1CCC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000447557734 871853249 /nfs/dbraw/zinc/85/32/49/871853249.db2.gz LMFOZEUIWFQDCM-UGKGYDQZSA-N 0 3 391.475 3.676 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000462233740 871907727 /nfs/dbraw/zinc/90/77/27/871907727.db2.gz RBXJEXDQAAXBNZ-FZKQIMNGSA-N 0 3 388.855 3.890 20 5 GHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000540699671 871980555 /nfs/dbraw/zinc/98/05/55/871980555.db2.gz MSDOWGRNMFBZIO-OAHLLOKOSA-N 0 3 376.254 3.726 20 5 GHBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000540771842 872123604 /nfs/dbraw/zinc/12/36/04/872123604.db2.gz IRLBITGZTUMGSW-INIZCTEOSA-N 0 3 377.510 3.796 20 5 GHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540864888 872350486 /nfs/dbraw/zinc/35/04/86/872350486.db2.gz WQUZOOMBZBIMSE-KRWDZBQOSA-N 0 3 393.447 3.638 20 5 GHBDHN C[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cn1 ZINC000619512565 872716664 /nfs/dbraw/zinc/71/66/64/872716664.db2.gz SCUXRUPAIKAXDU-GFCCVEGCSA-N 0 3 380.242 3.872 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000463973142 872998805 /nfs/dbraw/zinc/99/88/05/872998805.db2.gz SFTDFNLCLRCWQX-UHFFFAOYSA-N 0 3 382.464 3.782 20 5 GHBDHN CCCN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000552672823 873009779 /nfs/dbraw/zinc/00/97/79/873009779.db2.gz ZOHJKYJZWVEKNB-LJQANCHMSA-N 0 3 389.883 3.990 20 5 GHBDHN C[C@@H](CCCOc1ccccc1C(N)=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000768706579 873511936 /nfs/dbraw/zinc/51/19/36/873511936.db2.gz PVELPAZMYCGQCU-ZDUSSCGKSA-N 0 3 391.855 3.684 20 5 GHBDHN C[C@@](CO)(Cc1ccccc1F)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001198218753 874278579 /nfs/dbraw/zinc/27/85/79/874278579.db2.gz KECCZLSSCCYYNG-KRWDZBQOSA-N 0 3 397.244 3.580 20 5 GHBDHN Nc1nsc(N2CCN(Cc3c4ccccc4cc4ccccc43)CC2)n1 ZINC000770304440 874587042 /nfs/dbraw/zinc/58/70/42/874587042.db2.gz OJJFWIAUKLHZIY-UHFFFAOYSA-N 0 3 375.501 3.749 20 5 GHBDHN CCc1ccc([C@@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000542028036 874769924 /nfs/dbraw/zinc/76/99/24/874769924.db2.gz JQVMGHQTCPYDQR-GOSISDBHSA-N 0 3 386.452 3.590 20 5 GHBDHN C[C@@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000785713031 876219154 /nfs/dbraw/zinc/21/91/54/876219154.db2.gz JORWPEPVHCMKKA-MRXNPFEDSA-N 0 3 398.459 3.717 20 5 GHBDHN O=C1NCCCN1c1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000850575134 877040828 /nfs/dbraw/zinc/04/08/28/877040828.db2.gz QUSILHLUBANSPV-HXUWFJFHSA-N 0 3 380.448 3.682 20 5 GHBDHN CCOC(=O)c1ccnc(NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000609962068 877222851 /nfs/dbraw/zinc/22/28/51/877222851.db2.gz YZGUYZPGNCKYLS-SFHVURJKSA-N 0 3 398.463 3.724 20 5 GHBDHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000609992849 877289092 /nfs/dbraw/zinc/28/90/92/877289092.db2.gz XMUJPQUJNMNQAU-INIZCTEOSA-N 0 3 383.423 3.535 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610128081 877440995 /nfs/dbraw/zinc/44/09/95/877440995.db2.gz YUFLWSKSQDOYOB-MRXNPFEDSA-N 0 3 392.459 3.813 20 5 GHBDHN CC[C@H](NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179623886 877759969 /nfs/dbraw/zinc/75/99/69/877759969.db2.gz ISURWGSRUAYWRC-INIZCTEOSA-N 0 3 393.390 3.951 20 5 GHBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451345914 877795823 /nfs/dbraw/zinc/79/58/23/877795823.db2.gz RKHIATJCQJXBBZ-BNEJOLLZSA-N 0 3 386.452 3.721 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000451484521 878031058 /nfs/dbraw/zinc/03/10/58/878031058.db2.gz XFBGGHZLDLIBDA-KNXALSJPSA-N 0 3 381.860 3.513 20 5 GHBDHN COc1cc(CNCCc2ccc(C)cn2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000453595107 881068277 /nfs/dbraw/zinc/06/82/77/881068277.db2.gz DDUSRXOAUVEHNU-UHFFFAOYSA-N 0 3 399.369 3.580 20 5 GHBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000609506190 883300420 /nfs/dbraw/zinc/30/04/20/883300420.db2.gz LFEGLNMUYYXNFS-JKSUJKDBSA-N 0 3 387.505 3.712 20 5 GHBDHN CCN1CCN(c2ccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)c(C)c2)CC1 ZINC000609849743 883727266 /nfs/dbraw/zinc/72/72/66/883727266.db2.gz VLCKJRYOIGEGQH-UHFFFAOYSA-N 0 3 392.463 3.732 20 5 GHBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H](c1cccs1)N(C)C ZINC000609849300 883727451 /nfs/dbraw/zinc/72/74/51/883727451.db2.gz IUMOXCDRIAUZIL-CQSZACIVSA-N 0 3 381.429 3.687 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000194734693 884328640 /nfs/dbraw/zinc/32/86/40/884328640.db2.gz MAHYTQGADYHCDA-RDJZCZTQSA-N 0 3 395.459 3.529 20 5 GHBDHN O=C1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H](C2CC2)N1 ZINC000556403954 884795520 /nfs/dbraw/zinc/79/55/20/884795520.db2.gz LSZAKLQXUMQIHR-LAUBAEHRSA-N 0 3 399.422 3.673 20 5 GHBDHN C[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000806949510 885141098 /nfs/dbraw/zinc/14/10/98/885141098.db2.gz GEGCEKYMKACPTN-UGSOOPFHSA-N 0 3 390.871 3.739 20 5 GHBDHN CCOc1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001130799030 885161658 /nfs/dbraw/zinc/16/16/58/885161658.db2.gz QSGXTKDYRGSBLR-RYUDHWBXSA-N 0 3 376.331 3.680 20 5 GHBDHN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747468786 886155873 /nfs/dbraw/zinc/15/58/73/886155873.db2.gz WOUFCAVBEFCWBJ-QFBILLFUSA-N 0 3 377.448 3.764 20 5 GHBDHN CC(C)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000794613210 887679611 /nfs/dbraw/zinc/67/96/11/887679611.db2.gz PBRBRWXZMVOHEX-RBUKOAKNSA-N 0 3 391.855 3.535 20 5 GHBDHN Cc1c(NC(=O)CCN2CCCO[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000609233279 888098263 /nfs/dbraw/zinc/09/82/63/888098263.db2.gz CHPGAIVCSCUJFD-HXUWFJFHSA-N 0 3 383.448 3.695 20 5 GHBDHN CCC[C@@H](NCc1ccc(CN2CCNC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000866575230 888946075 /nfs/dbraw/zinc/94/60/75/888946075.db2.gz LISPSDCRKFBRHQ-HXUWFJFHSA-N 0 3 382.464 3.751 20 5 GHBDHN C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000455094602 890324261 /nfs/dbraw/zinc/32/42/61/890324261.db2.gz OOBGODNVNGXWGP-GJYPPUQNSA-N 0 3 382.464 3.618 20 5 GHBDHN CSc1nnc(CCCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n1CC(C)C ZINC000872035411 891127504 /nfs/dbraw/zinc/12/75/04/891127504.db2.gz OGPWZGZNWGQJDN-CYBMUJFWSA-N 0 3 395.504 3.987 20 5 GHBDHN COc1ccc([C@@H](NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000796173150 913540083 /nfs/dbraw/zinc/54/00/83/913540083.db2.gz UZNORMCJTOJAOB-IBGZPJMESA-N 0 3 389.839 3.936 20 5 GHBDHN CC(COC(=O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1)[N+](=O)[O-] ZINC000813106122 891302657 /nfs/dbraw/zinc/30/26/57/891302657.db2.gz YVEYNSBFJZJYQX-QGZVFWFLSA-N 0 3 399.443 3.522 20 5 GHBDHN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113418 891306880 /nfs/dbraw/zinc/30/68/80/891306880.db2.gz DKRGAYHIXNPCCG-GFCCVEGCSA-N 0 3 384.388 3.846 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H](O)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237428767 891738247 /nfs/dbraw/zinc/73/82/47/891738247.db2.gz GOVGYYDOQOCXJI-INIZCTEOSA-N 0 3 382.416 3.557 20 5 GHBDHN CC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000216780558 892254154 /nfs/dbraw/zinc/25/41/54/892254154.db2.gz RJESVOUHNWCCOG-MRXNPFEDSA-N 0 3 377.828 3.936 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000497932969 892767481 /nfs/dbraw/zinc/76/74/81/892767481.db2.gz AQKOWHFAWGRREV-CYBMUJFWSA-N 0 3 395.381 3.864 20 5 GHBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000815146562 893519828 /nfs/dbraw/zinc/51/98/28/893519828.db2.gz GARWPUQJZQTEBL-MGPLVRAMSA-N 0 3 383.217 3.881 20 5 GHBDHN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000818596338 896231360 /nfs/dbraw/zinc/23/13/60/896231360.db2.gz GPBLZXLORKYDNU-UHFFFAOYSA-N 0 3 380.448 3.687 20 5 GHBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)O1 ZINC001185802007 914094132 /nfs/dbraw/zinc/09/41/32/914094132.db2.gz RSKKHNNVCKWDLR-IRXDYDNUSA-N 0 3 384.480 3.958 20 5 GHBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000131988710 897626284 /nfs/dbraw/zinc/62/62/84/897626284.db2.gz NIKFJXOBTKOVHS-OAHLLOKOSA-N 0 3 387.867 3.985 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155692314 899006036 /nfs/dbraw/zinc/00/60/36/899006036.db2.gz NZVWBXRMPBKRTG-UHFFFAOYSA-N 0 3 398.419 3.805 20 5 GHBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000134156424 899666698 /nfs/dbraw/zinc/66/66/98/899666698.db2.gz UXHHZLKGRRIJRK-HOTGVXAUSA-N 0 3 393.484 3.599 20 5 GHBDHN CN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000571197633 899777560 /nfs/dbraw/zinc/77/75/60/899777560.db2.gz ZIYSVLLWYYQCFG-SFHVURJKSA-N 0 3 389.402 3.715 20 5 GHBDHN C[C@H]1[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001186640077 914698735 /nfs/dbraw/zinc/69/87/35/914698735.db2.gz WQZJRDXTZIAAJC-MAUKXSAKSA-N 0 3 392.459 3.522 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CNC2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000847061914 903439269 /nfs/dbraw/zinc/43/92/69/903439269.db2.gz FCOPDXLUPSVHHC-MRXNPFEDSA-N 0 3 382.338 3.806 20 5 GHBDHN Cc1cccc([C@@H](O)CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC001171561259 904830325 /nfs/dbraw/zinc/83/03/25/904830325.db2.gz NYFUOFXUAJFXAG-ONTIZHBOSA-N 0 3 384.476 3.742 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(c3nc4ccccc4o3)CC1)CC2 ZINC001172911724 906019694 /nfs/dbraw/zinc/01/96/94/906019694.db2.gz VAKQNXNIWGADCO-SFHVURJKSA-N 0 3 392.459 3.806 20 5 GHBDHN COc1ccc2c(c1)CN(C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)C2 ZINC001173018594 906095599 /nfs/dbraw/zinc/09/55/99/906095599.db2.gz WLQGWCLXRHDBKB-UHFFFAOYSA-N 0 3 389.402 3.866 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](N3CCCCC3)[C@@H](F)C2)c1F ZINC001173193815 906277105 /nfs/dbraw/zinc/27/71/05/906277105.db2.gz QZCUYCGTHCLEAG-HFTRVMKXSA-N 0 3 397.466 3.572 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1ccc(Br)cc1 ZINC001173210900 906328119 /nfs/dbraw/zinc/32/81/19/906328119.db2.gz PAVHBKAWZIDXQG-LBPRGKRZSA-N 0 3 377.238 3.761 20 5 GHBDHN COc1cc(C[NH2+]CCCCOc2ccc(Cl)cc2)c([N+](=O)[O-])cc1[O-] ZINC001177765541 908745217 /nfs/dbraw/zinc/74/52/17/908745217.db2.gz UNZXAGWYCJPEBV-UHFFFAOYSA-N 0 3 380.828 3.911 20 5 GHBDHN C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192746605 908821202 /nfs/dbraw/zinc/82/12/02/908821202.db2.gz MHVSKDCBSGOUFE-TXPKVOOTSA-N 0 3 383.448 3.679 20 5 GHBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1C ZINC001178224307 908963353 /nfs/dbraw/zinc/96/33/53/908963353.db2.gz GPBRITRJGLEDTK-WBMJQRKESA-N 0 3 389.839 3.863 20 5 GHBDHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267409267 909486956 /nfs/dbraw/zinc/48/69/56/909486956.db2.gz ZFEGVZFCRCRBLH-ZDUSSCGKSA-N 0 3 393.896 3.952 20 5 GHBDHN CCC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1CCOC ZINC001179979772 909846523 /nfs/dbraw/zinc/84/65/23/909846523.db2.gz JUBFVVCIBGTMBW-INIZCTEOSA-N 0 3 389.418 3.546 20 5 GHBDHN CCN1CCN(c2ccc(N[C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000774270839 911599572 /nfs/dbraw/zinc/59/95/72/911599572.db2.gz HLODRPSIEOLROB-PMACEKPBSA-N 0 3 398.511 3.529 20 5 GHBDHN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000293794434 916388580 /nfs/dbraw/zinc/38/85/80/916388580.db2.gz QUEHULWGBZXULR-STQMWFEESA-N 0 3 383.452 3.873 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000796429219 917087577 /nfs/dbraw/zinc/08/75/77/917087577.db2.gz GFAFEQJPBQQBEG-DLBZAZTESA-N 0 3 385.247 3.648 20 5 GHBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000775393586 917382290 /nfs/dbraw/zinc/38/22/90/917382290.db2.gz GARWPUQJZQTEBL-QLJPJBMISA-N 0 3 383.217 3.881 20 5 GHBDHN O=C1CC2(CN1)CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000271198557 919376306 /nfs/dbraw/zinc/37/63/06/919376306.db2.gz SDTPOQGTICQAOB-UHFFFAOYSA-N 0 3 389.839 3.610 20 5 GHBDHN CCN(CC)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000116103240 919497708 /nfs/dbraw/zinc/49/77/08/919497708.db2.gz SATPBHNOADHDTJ-IBGZPJMESA-N 0 3 389.427 3.555 20 5 GHBDHN CN(C)C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000802721343 922358357 /nfs/dbraw/zinc/35/83/57/922358357.db2.gz SPORRJMZWWCHAF-MRXNPFEDSA-N 0 3 378.885 3.838 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(c3nnc4n3CCC4)CC2)o1 ZINC000374319192 927015647 /nfs/dbraw/zinc/01/56/47/927015647.db2.gz WKEFGGANTQVOFD-UHFFFAOYSA-N 0 3 393.447 3.772 20 5 GHBDHN Cc1nn(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749951533 927367874 /nfs/dbraw/zinc/36/78/74/927367874.db2.gz YOUKHSPUWMNNQS-YLJYHZDGSA-N 0 3 395.463 3.705 20 5 GHBDHN Cc1ccc([C@H](C)NC(=O)N(CCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-] ZINC000753034867 929166468 /nfs/dbraw/zinc/16/64/68/929166468.db2.gz CUWXKBASUVCRCO-SFHVURJKSA-N 0 3 398.507 3.780 20 5 GHBDHN COC(=O)COc1ccc(CN2CC[C@H](c3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000467556644 929199734 /nfs/dbraw/zinc/19/97/34/929199734.db2.gz XRFJFDGVDVOBSF-LPHOPBHVSA-N 0 3 398.459 3.915 20 5 GHBDHN CN(C)CCN(Cc1cccs1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000757256361 929681904 /nfs/dbraw/zinc/68/19/04/929681904.db2.gz NXSIODACJPRTFI-UHFFFAOYSA-N 0 3 396.900 3.583 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000470211959 930456579 /nfs/dbraw/zinc/45/65/79/930456579.db2.gz OMHHXYHGAKUXMX-DTQAZKPQSA-N 0 3 381.480 3.806 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000547242269 930838199 /nfs/dbraw/zinc/83/81/99/930838199.db2.gz LHMKVNLLIAGWLI-GOSISDBHSA-N 0 3 399.466 3.744 20 5 GHBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000557206348 931272152 /nfs/dbraw/zinc/27/21/52/931272152.db2.gz NZNKORWHZKABSL-LAUBAEHRSA-N 0 3 399.491 3.591 20 5 GHBDHN C/C(=C/C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000783870892 931699433 /nfs/dbraw/zinc/69/94/33/931699433.db2.gz XEIZDRNKIFWRDF-PEZBUJJGSA-N 0 3 383.448 3.714 20 5 GHBDHN C/C(=C\C(=O)N(Cc1ccco1)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000783870890 931699471 /nfs/dbraw/zinc/69/94/71/931699471.db2.gz XEIZDRNKIFWRDF-JQIJEIRASA-N 0 3 383.448 3.714 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000561532376 934246862 /nfs/dbraw/zinc/24/68/62/934246862.db2.gz PRIMYEGNEAAVJA-CQSZACIVSA-N 0 3 377.510 3.653 20 5 GHBDHN O=[N+]([O-])c1cccc([C@H](O)CNC2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000830326957 935931314 /nfs/dbraw/zinc/93/13/14/935931314.db2.gz LPDAKYDUJNDJFY-MRXNPFEDSA-N 0 3 382.338 3.806 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470820792 1016899006 /nfs/dbraw/zinc/89/90/06/1016899006.db2.gz DRAXBTATGUCENO-NRFANRHFSA-N 0 3 395.503 3.995 20 5 GHBDHN COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1 ZINC001227046203 1032251085 /nfs/dbraw/zinc/25/10/85/1032251085.db2.gz GFKXZHNTRBVUOY-YWZLYKJASA-N 0 3 384.432 3.671 20 5 GHBDHN CCOC(=O)c1ccc(O[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227297106 1032359880 /nfs/dbraw/zinc/35/98/80/1032359880.db2.gz LFJBHOBLVAXHAZ-SFHVURJKSA-N 0 3 384.432 3.815 20 5 GHBDHN COC(=O)c1sc([N+](=O)[O-])cc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001227541525 1032457617 /nfs/dbraw/zinc/45/76/17/1032457617.db2.gz IDCHRLURYVIRSQ-CQSZACIVSA-N 0 3 377.330 3.632 20 5 GHBDHN COC(=O)c1sc([N+](=O)[O-])cc1OC(C(=O)c1ccco1)c1ccco1 ZINC001227541525 1032457621 /nfs/dbraw/zinc/45/76/21/1032457621.db2.gz IDCHRLURYVIRSQ-CQSZACIVSA-N 0 3 377.330 3.632 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)[n-]c2c1 ZINC001227742638 1032538949 /nfs/dbraw/zinc/53/89/49/1032538949.db2.gz CGIUIJGMSSSWAP-RIFZZMRRSA-N 0 3 378.432 3.761 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)[n-]c2c1 ZINC001227742638 1032538953 /nfs/dbraw/zinc/53/89/53/1032538953.db2.gz CGIUIJGMSSSWAP-RIFZZMRRSA-N 0 3 378.432 3.761 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)[n-]c2c1 ZINC001227742639 1032539573 /nfs/dbraw/zinc/53/95/73/1032539573.db2.gz CGIUIJGMSSSWAP-WRWLIDTKSA-N 0 3 378.432 3.761 20 5 GHBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)[n-]c2c1 ZINC001227742639 1032539578 /nfs/dbraw/zinc/53/95/78/1032539578.db2.gz CGIUIJGMSSSWAP-WRWLIDTKSA-N 0 3 378.432 3.761 20 5 GHBDHN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000558064746 1017105089 /nfs/dbraw/zinc/10/50/89/1017105089.db2.gz JWVRTNFCNRCPHF-IAGOWNOFSA-N 0 3 384.480 3.784 20 5 GHBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000565679579 1019189579 /nfs/dbraw/zinc/18/95/79/1019189579.db2.gz VHNVJMICKMWTNW-SUMWQHHRSA-N 0 3 386.452 3.621 20 5 GHBDHN CC(C)CC(=O)Nc1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000567681504 1019330347 /nfs/dbraw/zinc/33/03/47/1019330347.db2.gz UFHKRYLRRMAYCS-UHFFFAOYSA-N 0 3 398.463 3.698 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576851434 1020078208 /nfs/dbraw/zinc/07/82/08/1020078208.db2.gz TUYPICWYQVWCLU-APMMZXSISA-N 0 3 397.475 3.863 20 5 GHBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000577990481 1020299753 /nfs/dbraw/zinc/29/97/53/1020299753.db2.gz QBAZQZOXVVFHNP-IBGZPJMESA-N 0 3 382.464 3.895 20 5 GHBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000801539312 1021410381 /nfs/dbraw/zinc/41/03/81/1021410381.db2.gz FOAUYKUFUWIZGR-ZMSDIMECSA-N 0 3 393.459 3.859 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001204952520 1033182579 /nfs/dbraw/zinc/18/25/79/1033182579.db2.gz DTWCTHHTSJSWSX-LSDHHAIUSA-N 0 3 393.484 3.729 20 5 GHBDHN O=[N+]([O-])c1ccc2ccnc(OC[C@@H]3CN(Cc4ccccc4)CCCO3)c2c1 ZINC001229007146 1033227963 /nfs/dbraw/zinc/22/79/63/1033227963.db2.gz GDQPVKDPLMDLED-FQEVSTJZSA-N 0 3 393.443 3.813 20 5 GHBDHN C[C@H](N)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001162764214 1025910178 /nfs/dbraw/zinc/91/01/78/1025910178.db2.gz VBQXSZPZQIKINK-AWEZNQCLSA-N 0 3 389.415 3.927 20 5 GHBDHN CN1CC[C@@H](NCc2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000839593991 1026095507 /nfs/dbraw/zinc/09/55/07/1026095507.db2.gz OTBOCUZBDBJDFS-QAPCUYQASA-N 0 3 390.281 3.892 20 5 GHBDHN Cc1ccc([C@H](C)NCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001461259097 1069465728 /nfs/dbraw/zinc/46/57/28/1069465728.db2.gz XYFLHTAXLDVZHU-ZDUSSCGKSA-N 0 3 380.404 3.873 20 5 GHBDHN CCC(CC)(C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001461592183 1069627046 /nfs/dbraw/zinc/62/70/46/1069627046.db2.gz CWODOALLNCVKER-UHFFFAOYSA-N 0 3 382.457 3.547 20 5 GHBDHN COC(=O)c1cc(CO[C@H]2CCCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC001223688489 1030706038 /nfs/dbraw/zinc/70/60/38/1030706038.db2.gz NETHPBZYZWLKFU-FQEVSTJZSA-N 0 3 384.432 3.563 20 5 GHBDHN COc1cc(CO[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC001223905436 1030801091 /nfs/dbraw/zinc/80/10/91/1030801091.db2.gz KLQLSCKTHLWPDN-SFHVURJKSA-N 0 3 386.448 3.793 20 5 GHBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC001153802896 1031748505 /nfs/dbraw/zinc/74/85/05/1031748505.db2.gz JCESSFZSLVSIDX-SFHVURJKSA-N 0 3 396.491 3.810 20 5 GHBDHN COC(=O)Cc1ccc(O[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001226215577 1031856945 /nfs/dbraw/zinc/85/69/45/1031856945.db2.gz ZJUQDFARTSXASZ-HRAATJIYSA-N 0 3 398.459 3.600 20 5 GHBDHN COc1cccc(O[C@@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232227677 1035173220 /nfs/dbraw/zinc/17/32/20/1035173220.db2.gz LBPAFXZWCUNPBH-LJQANCHMSA-N 0 3 386.455 3.840 20 5 GHBDHN O=C(NC1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1)c1cccnc1 ZINC001232228629 1035173375 /nfs/dbraw/zinc/17/33/75/1035173375.db2.gz RZPMGNYWPJSFRD-UHFFFAOYSA-N 0 3 397.482 3.572 20 5 GHBDHN CN1CCN(CCCNc2cnc3c4ccccc4c4ccccc4c3n2)CC1 ZINC001161703876 1035287340 /nfs/dbraw/zinc/28/73/40/1035287340.db2.gz PORVWFGBGOBUTL-UHFFFAOYSA-N 0 3 385.515 3.986 20 5 GHBDHN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001248662013 1036036308 /nfs/dbraw/zinc/03/63/08/1036036308.db2.gz GPBCDMGGMHYLOK-ROUUACIJSA-N 0 3 396.491 3.819 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001254567987 1040343297 /nfs/dbraw/zinc/34/32/97/1040343297.db2.gz DVVGZFSQROSVTP-OAHLLOKOSA-N 0 3 385.439 3.559 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001254571331 1040347514 /nfs/dbraw/zinc/34/75/14/1040347514.db2.gz SNZYXAYKICYWAY-XLIONFOSSA-N 0 3 382.460 3.981 20 5 GHBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cn(Cc3ccccc3Cl)cn1)C2 ZINC001254587592 1040360695 /nfs/dbraw/zinc/36/06/95/1040360695.db2.gz QPVYXQJZXQQPCX-QGZVFWFLSA-N 0 3 382.851 3.750 20 5 GHBDHN CC(C)CCSc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001293958761 1044394853 /nfs/dbraw/zinc/39/48/53/1044394853.db2.gz GMVZLYIPRUHFEG-HNNXBMFYSA-N 0 3 379.526 3.805 20 5 GHBDHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001308079577 1049825056 /nfs/dbraw/zinc/82/50/56/1049825056.db2.gz MKBZOOBBYLYHKM-ZIAGYGMSSA-N 0 3 394.903 3.524 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCc2nnc3ccccn32)o1 ZINC001332842178 1051581785 /nfs/dbraw/zinc/58/17/85/1051581785.db2.gz ADWZNJDTJIAKTP-UHFFFAOYSA-N 0 3 397.822 3.883 20 5 GHBDHN CCOc1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001310945758 1051723601 /nfs/dbraw/zinc/72/36/01/1051723601.db2.gz XUKOUVLZZKUBKR-MAUKXSAKSA-N 0 3 398.463 3.636 20 5 GHBDHN CCOC(=O)N1CC[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320460271 1055814063 /nfs/dbraw/zinc/81/40/63/1055814063.db2.gz BCITYOLXKCLYBI-CYBMUJFWSA-N 0 3 393.827 3.829 20 5 GHBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001440678268 1058579465 /nfs/dbraw/zinc/57/94/65/1058579465.db2.gz VTRDMBGCDHUKNH-PWRODBHTSA-N 0 3 379.460 3.652 20 5 GHBDHN COc1ccc(OCCN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC001340938942 1060267524 /nfs/dbraw/zinc/26/75/24/1060267524.db2.gz CQMKSPZGZRPHIK-OAHLLOKOSA-N 0 3 396.447 3.738 20 5 GHBDHN COc1cc(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC001450788246 1060689852 /nfs/dbraw/zinc/68/98/52/1060689852.db2.gz BNGPVQVJWFPALH-FQEVSTJZSA-N 0 3 399.491 3.835 20 5 GHBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1Cl ZINC001435078069 1062276297 /nfs/dbraw/zinc/27/62/97/1062276297.db2.gz FPUPRPJLNPHCSG-UHFFFAOYSA-N 0 3 393.846 3.900 20 5 GHBDHN CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001457538554 1063231056 /nfs/dbraw/zinc/23/10/56/1063231056.db2.gz PFBXLUBJNWULTD-LJQANCHMSA-N 0 3 395.503 3.995 20 5 GHBDHN C[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC001436939602 1063715125 /nfs/dbraw/zinc/71/51/25/1063715125.db2.gz ZJWZSXAYRPMVFV-CEQIKUNHSA-N 0 3 397.450 3.570 20 5 GHBDHN Cc1cccc(C)c1OC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC001459872689 1064251607 /nfs/dbraw/zinc/25/16/07/1064251607.db2.gz VUFVRHTWELPQIJ-IBGZPJMESA-N 0 3 399.491 3.894 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001466375414 1066120666 /nfs/dbraw/zinc/12/06/66/1066120666.db2.gz AWCLFJBDVSFJCQ-LJQANCHMSA-N 0 3 398.463 3.952 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001357631841 1067206588 /nfs/dbraw/zinc/20/65/88/1067206588.db2.gz RPIOSEFQULUCQU-YLJYHZDGSA-N 0 3 393.487 3.968 20 5 GHBDHN CC(C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001460430631 1068962293 /nfs/dbraw/zinc/96/22/93/1068962293.db2.gz JHRMGKGKTKCJIT-NRFANRHFSA-N 0 3 398.463 3.845 20 5 GHBDHN CCOc1cc(CN2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460883761 1069252095 /nfs/dbraw/zinc/25/20/95/1069252095.db2.gz UZPYFOHXWWJVLE-OAHLLOKOSA-N 0 3 393.484 3.730 20 5 GHBDHN O=C(NC1CCCC1)OC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC001473526307 1074002114 /nfs/dbraw/zinc/00/21/14/1074002114.db2.gz OKOFRNASIOGPEE-IBGZPJMESA-N 0 3 375.469 3.661 20 5 GHBDHN CC(C)[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1Cc1ccccc1 ZINC001473645066 1074064109 /nfs/dbraw/zinc/06/41/09/1074064109.db2.gz JELLPAWFIJMZDZ-NRFANRHFSA-N 0 3 393.491 3.814 20 5 GHBDHN COc1cccc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CCN2)c1 ZINC001473738236 1074117232 /nfs/dbraw/zinc/11/72/32/1074117232.db2.gz FADGVIVVIOBOFO-SFHVURJKSA-N 0 3 395.381 3.769 20 5 GHBDHN CC[C@H](C)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC=CCC1 ZINC001495998367 1079445399 /nfs/dbraw/zinc/44/53/99/1079445399.db2.gz QQNAFOLQMQWPBX-KRWDZBQOSA-N 0 3 398.511 3.598 20 5 GHBDHN CC(C)[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824289130 608531158 /nfs/dbraw/zinc/53/11/58/608531158.db2.gz VAJRAIROEXQUPN-ALCCZGGFSA-N 0 3 378.436 3.699 20 5 GHBDHN CC(C)[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824289130 608531159 /nfs/dbraw/zinc/53/11/59/608531159.db2.gz VAJRAIROEXQUPN-ALCCZGGFSA-N 0 3 378.436 3.699 20 5 GHBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180698546 837467896 /nfs/dbraw/zinc/46/78/96/837467896.db2.gz USEKZJVKYIXBDS-UHFFFAOYSA-N 0 3 395.381 3.655 20 5 GHBDHN C[C@H]1C[C@@H](O)CCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000430159001 834664846 /nfs/dbraw/zinc/66/48/46/834664846.db2.gz ZONDVDLMRGJSRR-KKSFZXQISA-N 0 3 392.459 3.793 20 5 GHBDHN O=[N+]([O-])c1cccc2ncnc(NC3CC(N4CCC(C(F)(F)F)CC4)C3)c21 ZINC000480551623 834906525 /nfs/dbraw/zinc/90/65/25/834906525.db2.gz NTIKDYRKNZKHQD-UHFFFAOYSA-N 0 3 395.385 3.755 20 5 GHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000611815087 835855314 /nfs/dbraw/zinc/85/53/14/835855314.db2.gz AIWXUUBKEISVGE-OAHLLOKOSA-N 0 3 398.385 3.916 20 5 GHBDHN COc1ccc(NC(=O)CCN2CCC(C)=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000548930126 836234545 /nfs/dbraw/zinc/23/45/45/836234545.db2.gz NUWLDPOFGXPLMS-UHFFFAOYSA-N 0 3 385.420 3.704 20 5 GHBDHN CN(C)C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2O1 ZINC000610762064 844144286 /nfs/dbraw/zinc/14/42/86/844144286.db2.gz XLDBTESNKGRRBI-OAHLLOKOSA-N 0 3 397.456 3.779 20 5 GHBDHN COc1cc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)ccc1[N+](=O)[O-] ZINC000540911862 836488720 /nfs/dbraw/zinc/48/87/20/836488720.db2.gz USEWEUCIPDCZRC-UHFFFAOYSA-N 0 3 384.432 3.934 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000548952676 836558763 /nfs/dbraw/zinc/55/87/63/836558763.db2.gz SLCMRQBHIXAZLF-DOTOQJQBSA-N 0 3 383.448 3.559 20 5 GHBDHN CN(C)CCN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000175169666 836696812 /nfs/dbraw/zinc/69/68/12/836696812.db2.gz LRZGMAMYVVVGIO-UHFFFAOYSA-N 0 3 381.354 3.822 20 5 GHBDHN CCOc1ccc(C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000186311594 837155152 /nfs/dbraw/zinc/15/51/52/837155152.db2.gz OMNJUOQZUTXCRH-IBGZPJMESA-N 0 3 397.475 3.730 20 5 GHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000065140988 844241481 /nfs/dbraw/zinc/24/14/81/844241481.db2.gz YBBUXIMSXADMGL-HNAYVOBHSA-N 0 3 394.475 3.734 20 5 GHBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275760300 838755699 /nfs/dbraw/zinc/75/56/99/838755699.db2.gz ZOZUXYIDYPSUHP-GFCCVEGCSA-N 0 3 397.425 3.586 20 5 GHBDHN C[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1C ZINC000064916804 839156961 /nfs/dbraw/zinc/15/69/61/839156961.db2.gz KZCKYNGSVGKMSR-ZIAGYGMSSA-N 0 3 388.493 3.711 20 5 GHBDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000610445975 839721529 /nfs/dbraw/zinc/72/15/29/839721529.db2.gz MFVPZBXCOAPBTR-SFHVURJKSA-N 0 3 396.491 3.520 20 5 GHBDHN CC(C)(CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1(O)CCOCC1 ZINC000417390013 840806507 /nfs/dbraw/zinc/80/65/07/840806507.db2.gz YFONLEICODAREU-HXUWFJFHSA-N 0 3 384.476 3.842 20 5 GHBDHN C[C@H]1CN(Cc2cccc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475980 840814509 /nfs/dbraw/zinc/81/45/09/840814509.db2.gz RKXLCIRLLZOIRN-KKSFZXQISA-N 0 3 381.476 3.593 20 5 GHBDHN C[C@@H]1CN(CCCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C[C@@H](C)O1 ZINC000573570876 844594137 /nfs/dbraw/zinc/59/41/37/844594137.db2.gz NGOMDCCXMHGIGN-CKEIUWERSA-N 0 3 389.418 3.677 20 5 GHBDHN Cc1cc(N2CCC(CCCN3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302099184 861204069 /nfs/dbraw/zinc/20/40/69/861204069.db2.gz UIIQCTCXBPDWCF-UHFFFAOYSA-N 0 3 398.507 3.780 20 5 GHBDHN Cc1cc(NCCc2cccc(C(=O)N(C)C)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302209831 861239167 /nfs/dbraw/zinc/23/91/67/861239167.db2.gz YFYQSVPINCROFL-UHFFFAOYSA-N 0 3 378.432 3.808 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@@H]3CSCCS3)o2)c([N+](=O)[O-])c1 ZINC000759831634 841902785 /nfs/dbraw/zinc/90/27/85/841902785.db2.gz BZXXDHHLOFDPPS-CQSZACIVSA-N 0 3 380.491 3.802 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccsc1 ZINC000512055820 842352366 /nfs/dbraw/zinc/35/23/66/842352366.db2.gz GLMYVPAMTMYEPN-QGZVFWFLSA-N 0 3 386.477 3.951 20 5 GHBDHN CN(C)C(=O)COc1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279201114 842709286 /nfs/dbraw/zinc/70/92/86/842709286.db2.gz XLAWOEABTIAAAB-FQEVSTJZSA-N 0 3 397.475 3.574 20 5 GHBDHN COc1ccc([C@H]2CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)C2)cc1 ZINC000728900896 842915626 /nfs/dbraw/zinc/91/56/26/842915626.db2.gz SHSIUFUEWWONDA-SFHVURJKSA-N 0 3 378.432 3.914 20 5 GHBDHN CN(c1ccccc1)c1ccc(CN2CCCC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000512196251 843038074 /nfs/dbraw/zinc/03/80/74/843038074.db2.gz OBYJMFSEICHDNN-SFHVURJKSA-N 0 3 382.464 3.593 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc(-c2nc(CC)no2)cc1 ZINC000236846578 843109924 /nfs/dbraw/zinc/10/99/24/843109924.db2.gz VZZICURITUFRMI-UHFFFAOYSA-N 0 3 396.447 3.938 20 5 GHBDHN CC(C)N(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000843695596 843288461 /nfs/dbraw/zinc/28/84/61/843288461.db2.gz GGGOIVOTBFCBTO-GOSISDBHSA-N 0 3 385.439 3.859 20 5 GHBDHN O=C(NC[C@H]1CCCN1Cc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001126285283 843637657 /nfs/dbraw/zinc/63/76/57/843637657.db2.gz AXVGUWHTGVODSP-OAQYLSRUSA-N 0 3 393.487 3.797 20 5 GHBDHN CCc1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000471989108 844944998 /nfs/dbraw/zinc/94/49/98/844944998.db2.gz QZZOSYXCWYFHLJ-UHFFFAOYSA-N 0 3 395.503 3.938 20 5 GHBDHN CC1(C)C[C@@H](NCc2ccccc2CN2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153641 845524117 /nfs/dbraw/zinc/52/41/17/845524117.db2.gz XABONCBNDRDPFH-JOCHJYFZSA-N 0 3 395.503 3.939 20 5 GHBDHN CC1CCN([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000072006532 846204073 /nfs/dbraw/zinc/20/40/73/846204073.db2.gz BVWMLYQMXKGYGP-OAQYLSRUSA-N 0 3 381.476 3.727 20 5 GHBDHN C[C@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000280162518 846315151 /nfs/dbraw/zinc/31/51/51/846315151.db2.gz IDOOGSKQUYTABX-INIZCTEOSA-N 0 3 395.459 3.554 20 5 GHBDHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119824098 846354464 /nfs/dbraw/zinc/35/44/64/846354464.db2.gz JFFBJWMGUQPRQT-KRWDZBQOSA-N 0 3 384.461 3.705 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000501261230 846775300 /nfs/dbraw/zinc/77/53/00/846775300.db2.gz YVBGUFNTDIGHHI-GOEBONIOSA-N 0 3 385.489 3.882 20 5 GHBDHN CN1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000248140044 849377837 /nfs/dbraw/zinc/37/78/37/849377837.db2.gz YIEZFOXKBACDGT-MOPGFXCFSA-N 0 3 382.464 3.575 20 5 GHBDHN CC(C)N1CCN(c2cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000504702372 850246264 /nfs/dbraw/zinc/24/62/64/850246264.db2.gz GLSXUGPQJFRAGD-UHFFFAOYSA-N 0 3 383.452 3.769 20 5 GHBDHN CN(C)CCN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC000505667740 850395673 /nfs/dbraw/zinc/39/56/73/850395673.db2.gz AIUPQQFZEXZNTP-UHFFFAOYSA-N 0 3 385.489 3.912 20 5 GHBDHN CS[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000487126927 850490742 /nfs/dbraw/zinc/49/07/42/850490742.db2.gz ZJFMXAKRMCLKHP-ROUUACIJSA-N 0 3 391.537 3.544 20 5 GHBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000439913787 850579074 /nfs/dbraw/zinc/57/90/74/850579074.db2.gz WZFUBRYFARSCNS-LPHOPBHVSA-N 0 3 384.436 3.560 20 5 GHBDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000487560413 850712347 /nfs/dbraw/zinc/71/23/47/850712347.db2.gz ARZULZOFHJHQFK-UHFFFAOYSA-N 0 3 385.464 3.506 20 5 GHBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000604429648 862202338 /nfs/dbraw/zinc/20/23/38/862202338.db2.gz PWFGOQKDPGKLEZ-UHFFFAOYSA-N 0 3 388.512 3.753 20 5 GHBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436132380 851241439 /nfs/dbraw/zinc/24/14/39/851241439.db2.gz ASLCXTFYLRKHRF-CABCVRRESA-N 0 3 395.478 3.671 20 5 GHBDHN C[C@H](CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc(Br)c1 ZINC000425958238 852115681 /nfs/dbraw/zinc/11/56/81/852115681.db2.gz FLKUPYOBBVUCBY-CYBMUJFWSA-N 0 3 393.285 3.994 20 5 GHBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000425608797 852221861 /nfs/dbraw/zinc/22/18/61/852221861.db2.gz PEGSRDXGTVQGTD-GOSISDBHSA-N 0 3 392.459 3.528 20 5 GHBDHN CCc1nn(C)c(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] ZINC000184353658 852241499 /nfs/dbraw/zinc/24/14/99/852241499.db2.gz GQZQABUGGOJCLR-CQSZACIVSA-N 0 3 385.390 3.624 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000489741055 852563414 /nfs/dbraw/zinc/56/34/14/852563414.db2.gz XUWZPOUFVVQTRV-OAQYLSRUSA-N 0 3 396.491 3.659 20 5 GHBDHN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000489871500 852639298 /nfs/dbraw/zinc/63/92/98/852639298.db2.gz JLHLUCZPQVBWDZ-CYBMUJFWSA-N 0 3 398.385 3.606 20 5 GHBDHN CC[C@H](C)N[C@@H](CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000509566886 852972137 /nfs/dbraw/zinc/97/21/37/852972137.db2.gz HBFXOHOUEVYGPY-RDJZCZTQSA-N 0 3 388.468 3.501 20 5 GHBDHN C[C@H](CO[C@@H]1CCOC1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000151212004 853172375 /nfs/dbraw/zinc/17/23/75/853172375.db2.gz VGHZYBBBUOYWIW-RDTXWAMCSA-N 0 3 390.411 3.810 20 5 GHBDHN O=C(c1ccc([N+](=O)[O-])cc1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000518345293 853242549 /nfs/dbraw/zinc/24/25/49/853242549.db2.gz FNQFNAYAVHILPD-UHFFFAOYSA-N 0 3 387.867 3.986 20 5 GHBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000518403010 853290566 /nfs/dbraw/zinc/29/05/66/853290566.db2.gz ZDFITTIDRHQEMD-FRQCXROJSA-N 0 3 382.464 3.791 20 5 GHBDHN Cc1cccc(C2(NCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCCC2)c1 ZINC000506492281 853312356 /nfs/dbraw/zinc/31/23/56/853312356.db2.gz CLJSELMTTKPBSM-UHFFFAOYSA-N 0 3 397.431 3.630 20 5 GHBDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000586789076 853549202 /nfs/dbraw/zinc/54/92/02/853549202.db2.gz GQEZXBGQKKZDIG-DZFGPLHGSA-N 0 3 397.475 3.783 20 5 GHBDHN CC(=O)c1cc(N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000587993207 854061074 /nfs/dbraw/zinc/06/10/74/854061074.db2.gz QEHPQMGSZRLNNT-HZPDHXFCSA-N 0 3 389.496 3.513 20 5 GHBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000553209153 854874480 /nfs/dbraw/zinc/87/44/80/854874480.db2.gz RMCXKVOGYRFZPG-LBPRGKRZSA-N 0 3 379.363 3.876 20 5 GHBDHN C[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)N(C)Cc1ccccc1 ZINC000520660212 855951208 /nfs/dbraw/zinc/95/12/08/855951208.db2.gz JUOGKVZFDNLDEH-CYBMUJFWSA-N 0 3 395.381 3.864 20 5 GHBDHN CC(C)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000591724848 856232705 /nfs/dbraw/zinc/23/27/05/856232705.db2.gz HGLCEEBEBUUMEM-LJQANCHMSA-N 0 3 381.436 3.787 20 5 GHBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000172553668 856476086 /nfs/dbraw/zinc/47/60/86/856476086.db2.gz RIMIBHNDPLIKEQ-INIZCTEOSA-N 0 3 398.463 3.732 20 5 GHBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000462922288 856614796 /nfs/dbraw/zinc/61/47/96/856614796.db2.gz BOYHVGRGYUENOR-WIYYLYMNSA-N 0 3 383.492 3.891 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000427832781 856782354 /nfs/dbraw/zinc/78/23/54/856782354.db2.gz UZOQMAKMQQDMSI-APWZRJJASA-N 0 3 397.475 3.901 20 5 GHBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441819703 856828986 /nfs/dbraw/zinc/82/89/86/856828986.db2.gz KZOOHQUSQUXQOJ-AWEZNQCLSA-N 0 3 383.473 3.713 20 5 GHBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000134172959 862873604 /nfs/dbraw/zinc/87/36/04/862873604.db2.gz WJOGQXFPCSSNAU-MRXNPFEDSA-N 0 3 393.365 3.747 20 5 GHBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000173798257 857153632 /nfs/dbraw/zinc/15/36/32/857153632.db2.gz PAOFHRCRCPMTGH-UHFFFAOYSA-N 0 3 378.432 3.824 20 5 GHBDHN Cc1nn(C)c(C)c1C[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174543784 857341500 /nfs/dbraw/zinc/34/15/00/857341500.db2.gz NYZCNBRCCXMBJS-GFCCVEGCSA-N 0 3 385.493 3.789 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@H](O)C(F)(F)F)o2)c(Cl)c1 ZINC000574319341 857698201 /nfs/dbraw/zinc/69/82/01/857698201.db2.gz FONKZIHQSYUVCG-AWEZNQCLSA-N 0 3 378.734 3.911 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000521485219 858056139 /nfs/dbraw/zinc/05/61/39/858056139.db2.gz HUZSFVHCBPIJSP-OAQYLSRUSA-N 0 3 396.491 3.536 20 5 GHBDHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121045597 858157989 /nfs/dbraw/zinc/15/79/89/858157989.db2.gz JHNGNNQZYQRSHR-QGZVFWFLSA-N 0 3 396.472 3.771 20 5 GHBDHN CO[C@@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594954453 858344392 /nfs/dbraw/zinc/34/43/92/858344392.db2.gz LOOMTDRKJGJHJE-QRWLVFNGSA-N 0 3 390.411 3.667 20 5 GHBDHN Cc1ccc([C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N2CCCC2)cc1 ZINC000522037825 858555122 /nfs/dbraw/zinc/55/51/22/858555122.db2.gz IRAQHVYSGVQFSC-NRFANRHFSA-N 0 3 392.459 3.951 20 5 GHBDHN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593027820 858565659 /nfs/dbraw/zinc/56/56/59/858565659.db2.gz FPGYAQOYNSXIEK-VHSXEESVSA-N 0 3 398.284 3.882 20 5 GHBDHN CC(C)NC(=O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000128752251 858958203 /nfs/dbraw/zinc/95/82/03/858958203.db2.gz MTJARQDYRSYHIL-UHFFFAOYSA-N 0 3 375.400 3.531 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1(CC)CC ZINC000429348678 859108474 /nfs/dbraw/zinc/10/84/74/859108474.db2.gz KSTMCIOGUQPOBP-DOPJRALCSA-N 0 3 393.484 3.504 20 5 GHBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000483106561 859151909 /nfs/dbraw/zinc/15/19/09/859151909.db2.gz PBOSEQVODPDOMJ-SFHVURJKSA-N 0 3 390.867 3.868 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@H](c3nc(C(C)C)no3)C2)c([N+](=O)[O-])c1 ZINC001170352626 881391807 /nfs/dbraw/zinc/39/18/07/881391807.db2.gz OUSRZOGMZMNRDT-ZBFHGGJFSA-N 0 3 388.468 3.920 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@@H](Oc3cccc(C)n3)C2)c([N+](=O)[O-])c1 ZINC001170355656 881402943 /nfs/dbraw/zinc/40/29/43/881402943.db2.gz NZFUFWQDEPHELR-VQIMIIECSA-N 0 3 385.464 3.781 20 5 GHBDHN O=C1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)CC[C@@H]2N1 ZINC000597205846 859360199 /nfs/dbraw/zinc/36/01/99/859360199.db2.gz LIHURCIBIGIWPV-PXAZEXFGSA-N 0 3 389.839 3.609 20 5 GHBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000601622712 859384292 /nfs/dbraw/zinc/38/42/92/859384292.db2.gz TYLAHXFTBVLHOZ-UHFFFAOYSA-N 0 3 375.450 3.639 20 5 GHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(C[C@@H]4CCCO4)CC3)o2)cc1 ZINC000611254024 859664611 /nfs/dbraw/zinc/66/46/11/859664611.db2.gz GUBIWCYRHZTIPN-IBGZPJMESA-N 0 3 385.464 3.542 20 5 GHBDHN C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000543429107 859685947 /nfs/dbraw/zinc/68/59/47/859685947.db2.gz HUZIDECHLOFLDY-ZIAGYGMSSA-N 0 3 394.518 3.941 20 5 GHBDHN COc1ccc(C[C@@H](C)N2CCC[C@@H]2CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351572 881485987 /nfs/dbraw/zinc/48/59/87/881485987.db2.gz GJDDFQCPGSRPDE-GDBMZVCRSA-N 0 3 378.469 3.731 20 5 GHBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000054224831 860046961 /nfs/dbraw/zinc/04/69/61/860046961.db2.gz YVBGUFNTDIGHHI-ZBFHGGJFSA-N 0 3 385.489 3.882 20 5 GHBDHN CC(C)(C)Oc1cc(NC[C@@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000484779796 860344287 /nfs/dbraw/zinc/34/42/87/860344287.db2.gz VHOQXMBHMNTZJF-LJQANCHMSA-N 0 3 399.491 3.603 20 5 GHBDHN COc1ccc(CN2CC[C@@H]2CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000599068179 860775699 /nfs/dbraw/zinc/77/56/99/860775699.db2.gz LNKAQDQFSUEZOU-CRAIPNDOSA-N 0 3 385.464 3.537 20 5 GHBDHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)N(C)C)c1 ZINC000509070457 860792853 /nfs/dbraw/zinc/79/28/53/860792853.db2.gz SHIDGGREPRGAOI-MRXNPFEDSA-N 0 3 381.379 3.920 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)N(C)C)cc1 ZINC000603730681 861099003 /nfs/dbraw/zinc/09/90/03/861099003.db2.gz MITYEENTDPFQES-SFHVURJKSA-N 0 3 381.432 3.936 20 5 GHBDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000185642354 861106684 /nfs/dbraw/zinc/10/66/84/861106684.db2.gz XWWQRKGDQOQYOB-NSHDSACASA-N 0 3 386.374 3.700 20 5 GHBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444027250 863167377 /nfs/dbraw/zinc/16/73/77/863167377.db2.gz BPBONQSWDQMIPL-QGZVFWFLSA-N 0 3 377.488 3.676 20 5 GHBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CCN1C ZINC000444086644 863358513 /nfs/dbraw/zinc/35/85/13/863358513.db2.gz JMEHWPJCRCFZFH-OCCSQVGLSA-N 0 3 399.441 3.514 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCCCCn2cc(Br)cn2)c(Cl)c1 ZINC000475224066 864604599 /nfs/dbraw/zinc/60/45/99/864604599.db2.gz LQMKRZVYQXMULM-UHFFFAOYSA-N 0 3 387.665 3.777 20 5 GHBDHN Cc1cc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000554913064 865156047 /nfs/dbraw/zinc/15/60/47/865156047.db2.gz FRJJJLMEDDCWKG-INIZCTEOSA-N 0 3 376.844 3.981 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195122 865341341 /nfs/dbraw/zinc/34/13/41/865341341.db2.gz CFEVLAHXINLBEU-DLBZAZTESA-N 0 3 377.510 3.842 20 5 GHBDHN Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183138754 866267679 /nfs/dbraw/zinc/26/76/79/866267679.db2.gz IMKNYXCBLYZSTE-CABCVRRESA-N 0 3 393.447 3.767 20 5 GHBDHN COC(=O)COc1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000475561638 866298880 /nfs/dbraw/zinc/29/88/80/866298880.db2.gz CASGVUFHGOVVDM-LJQANCHMSA-N 0 3 396.443 3.799 20 5 GHBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457091993 867648720 /nfs/dbraw/zinc/64/87/20/867648720.db2.gz NFBSPUKNUMSGQX-MRXNPFEDSA-N 0 3 379.526 3.898 20 5 GHBDHN COC(=O)c1cc(NC[C@@H](c2cccc(F)c2)N(C)C)cc(C)c1[N+](=O)[O-] ZINC000440725695 868287187 /nfs/dbraw/zinc/28/71/87/868287187.db2.gz KWTKVLRLMDPLSZ-KRWDZBQOSA-N 0 3 375.400 3.544 20 5 GHBDHN O=[N+]([O-])c1ccc(CNC[C@H](c2cccc(Cl)c2)N2CCOCC2)c(F)c1 ZINC000479888779 868687060 /nfs/dbraw/zinc/68/70/60/868687060.db2.gz MLLHPIDMBKGUJI-LJQANCHMSA-N 0 3 393.846 3.550 20 5 GHBDHN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H](c3cccs3)N3CCCC3)cc2N1 ZINC000170639262 869531078 /nfs/dbraw/zinc/53/10/78/869531078.db2.gz ILQGHMOUMLSZGV-KRWDZBQOSA-N 0 3 386.477 3.790 20 5 GHBDHN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000462860846 870235274 /nfs/dbraw/zinc/23/52/74/870235274.db2.gz HNIKYHYWSTYUID-KRWDZBQOSA-N 0 3 391.475 3.766 20 5 GHBDHN CCN1CC[C@H](N(C)c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000462871859 870263459 /nfs/dbraw/zinc/26/34/59/870263459.db2.gz INVSMBQABPJSJC-APWZRJJASA-N 0 3 381.476 3.992 20 5 GHBDHN CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746390591 870597881 /nfs/dbraw/zinc/59/78/81/870597881.db2.gz MIIHMGWZLVFKEU-GOSISDBHSA-N 0 3 394.475 3.580 20 5 GHBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000461727725 870853664 /nfs/dbraw/zinc/85/36/64/870853664.db2.gz OCLDDHIYJJANPS-QGZVFWFLSA-N 0 3 396.491 3.789 20 5 GHBDHN Cc1cc(NCCCS(=O)(=O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181453981 871037470 /nfs/dbraw/zinc/03/74/70/871037470.db2.gz NTDQAUQENWDGQX-UHFFFAOYSA-N 0 3 399.472 3.868 20 5 GHBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)Cc1ccccc1 ZINC000539339679 871730509 /nfs/dbraw/zinc/73/05/09/871730509.db2.gz IRICTTJXJPTFGB-UHFFFAOYSA-N 0 3 387.505 3.957 20 5 GHBDHN Cn1c(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc2cccc(Cl)c21 ZINC000447594422 871904518 /nfs/dbraw/zinc/90/45/18/871904518.db2.gz YTPMQLWGFXZHNT-DZGCQCFKSA-N 0 3 388.859 3.605 20 5 GHBDHN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1OC ZINC000541058621 872813754 /nfs/dbraw/zinc/81/37/54/872813754.db2.gz UIECJWQRUCFTAE-BBWFWOEESA-N 0 3 392.496 3.887 20 5 GHBDHN COc1ccc(-c2ccc(CNC[C@H](O)c3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000767927361 872931992 /nfs/dbraw/zinc/93/19/92/872931992.db2.gz PLRPHJITQPFAIY-FQEVSTJZSA-N 0 3 382.416 3.995 20 5 GHBDHN CCCN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000552672822 873010395 /nfs/dbraw/zinc/01/03/95/873010395.db2.gz ZOHJKYJZWVEKNB-IBGZPJMESA-N 0 3 389.883 3.990 20 5 GHBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464843106 874615886 /nfs/dbraw/zinc/61/58/86/874615886.db2.gz PZWSLLKIHXECRV-QZTJIDSGSA-N 0 3 396.491 3.518 20 5 GHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000449543889 875006732 /nfs/dbraw/zinc/00/67/32/875006732.db2.gz UYWSHUNVTOUPMX-PBHICJAKSA-N 0 3 379.363 3.601 20 5 GHBDHN COc1cc(NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000450788985 876891642 /nfs/dbraw/zinc/89/16/42/876891642.db2.gz VGQQAYODTVSCTP-UHFFFAOYSA-N 0 3 398.463 3.638 20 5 GHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000850436043 876919111 /nfs/dbraw/zinc/91/91/11/876919111.db2.gz BVFFYRORCOXXKL-MLGOLLRUSA-N 0 3 379.457 3.557 20 5 GHBDHN C[C@@H](NCc1cccc(COC[C@H]2CCCO2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850579702 877051329 /nfs/dbraw/zinc/05/13/29/877051329.db2.gz YMOSQUONQSEDML-DNVCBOLYSA-N 0 3 385.464 3.723 20 5 GHBDHN CC(C)c1ccc(C(C)(C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000609358399 883096452 /nfs/dbraw/zinc/09/64/52/883096452.db2.gz GXESIRUPIRUUOY-UHFFFAOYSA-N 0 3 399.447 3.910 20 5 GHBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000787288105 877296894 /nfs/dbraw/zinc/29/68/94/877296894.db2.gz HUIHYCZHWRLTML-UHFFFAOYSA-N 0 3 397.391 3.797 20 5 GHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000787405534 877399146 /nfs/dbraw/zinc/39/91/46/877399146.db2.gz FRQHBKOKDCBABC-IUYQLWOBSA-N 0 3 375.469 3.845 20 5 GHBDHN Cc1c(NC(=O)CCN(C)[C@@H](CO)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000451335970 877824824 /nfs/dbraw/zinc/82/48/24/877824824.db2.gz VMVFJLNPFAPBIK-SFHVURJKSA-N 0 3 391.855 3.551 20 5 GHBDHN Cc1c(-c2cc(CN3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)on2)cnn1C ZINC000451554486 878139724 /nfs/dbraw/zinc/13/97/24/878139724.db2.gz ZZJSPRDFQJJUON-MRXNPFEDSA-N 0 3 381.436 3.671 20 5 GHBDHN COc1cc(CN(C)C2CCN(CCC(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000452122830 878973430 /nfs/dbraw/zinc/97/34/30/878973430.db2.gz VQGOJJZCJXGDOJ-UHFFFAOYSA-N 0 3 393.381 3.591 20 5 GHBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000452340511 879310521 /nfs/dbraw/zinc/31/05/21/879310521.db2.gz AECIEAVOSBOMDY-KRWDZBQOSA-N 0 3 391.515 3.922 20 5 GHBDHN CS[C@@H](CO)[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000152509289 879342257 /nfs/dbraw/zinc/34/22/57/879342257.db2.gz GJKFHXLBRVDPGI-SGTLLEGYSA-N 0 3 380.441 3.728 20 5 GHBDHN Cc1ccc(Sc2ccc(C(=O)NCCN3CCCC3)cc2[N+](=O)[O-])cc1 ZINC000493581492 879531318 /nfs/dbraw/zinc/53/13/18/879531318.db2.gz VNVZJMQUTMDWPW-UHFFFAOYSA-N 0 3 385.489 3.880 20 5 GHBDHN C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000790557636 879814240 /nfs/dbraw/zinc/81/42/40/879814240.db2.gz BKLHTXXHSPIVMA-ZDUSSCGKSA-N 0 3 393.846 3.567 20 5 GHBDHN C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000237562195 880303013 /nfs/dbraw/zinc/30/30/13/880303013.db2.gz AZQJQMNTIKQIEM-LBPRGKRZSA-N 0 3 392.253 3.864 20 5 GHBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C[C@@H]21 ZINC000453032082 880379568 /nfs/dbraw/zinc/37/95/68/880379568.db2.gz IRFJXKKSYFATBI-KDOFPFPSSA-N 0 3 383.473 3.522 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000531965828 880832535 /nfs/dbraw/zinc/83/25/35/880832535.db2.gz GEXNSNZBDCWHQS-XMSQKQJNSA-N 0 3 382.508 3.543 20 5 GHBDHN C[C@@]1(Br)C[C@@H]1CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC001183532186 912641731 /nfs/dbraw/zinc/64/17/31/912641731.db2.gz BVWYJOVGADHAPB-BXKDBHETSA-N 0 3 378.064 3.620 20 5 GHBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000194734704 884328982 /nfs/dbraw/zinc/32/89/82/884328982.db2.gz MAHYTQGADYHCDA-NVXWUHKLSA-N 0 3 395.459 3.529 20 5 GHBDHN CC[C@H](N[C@@H](CN1CCN(C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532480989 885800090 /nfs/dbraw/zinc/80/00/90/885800090.db2.gz LEZSOKHWIAXERK-VXKWHMMOSA-N 0 3 382.508 3.624 20 5 GHBDHN COc1ccc(-c2ccc(CN[C@H]3Cc4cccc(O)c4C3)o2)c([N+](=O)[O-])c1 ZINC000428564135 886296281 /nfs/dbraw/zinc/29/62/81/886296281.db2.gz IOFUHSLEIOOBQS-AWEZNQCLSA-N 0 3 380.400 3.826 20 5 GHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)s1 ZINC000808452595 886365569 /nfs/dbraw/zinc/36/55/69/886365569.db2.gz MGWBEBQNTZLZEG-OXJNMPFZSA-N 0 3 382.441 3.908 20 5 GHBDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000556885836 886459247 /nfs/dbraw/zinc/45/92/47/886459247.db2.gz NFFIZBMPNVQFEM-XFQXTVEOSA-N 0 3 380.448 3.912 20 5 GHBDHN O=c1[nH]cnc2cc(NC[C@H](c3cccs3)N3CCCC3)c([N+](=O)[O-])cc12 ZINC000301078261 886470992 /nfs/dbraw/zinc/47/09/92/886470992.db2.gz QWUJWTBVTDTOJB-MRXNPFEDSA-N 0 3 385.449 3.554 20 5 GHBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)n2)c1 ZINC000863320609 887029741 /nfs/dbraw/zinc/02/97/41/887029741.db2.gz DYDYQZZEWSTVCQ-YSIASYRMSA-N 0 3 375.432 3.546 20 5 GHBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCO[C@@H](c2ccccc2)C1 ZINC000609234499 888263032 /nfs/dbraw/zinc/26/30/32/888263032.db2.gz SJCJJCHFXLOWKD-HXUWFJFHSA-N 0 3 383.448 3.695 20 5 GHBDHN COc1ccc(OC)c([C@@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000194365156 888271544 /nfs/dbraw/zinc/27/15/44/888271544.db2.gz BPBNZBMBIZGDNQ-CQSZACIVSA-N 0 3 387.436 3.600 20 5 GHBDHN C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454390085 888950713 /nfs/dbraw/zinc/95/07/13/888950713.db2.gz ZZSQJYFKMUTQDF-TXPKVOOTSA-N 0 3 382.464 3.791 20 5 GHBDHN O=C(CNC1(c2ccc(F)cc2)CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533052256 889632114 /nfs/dbraw/zinc/63/21/14/889632114.db2.gz LLYKCIWVRWKXPQ-UHFFFAOYSA-N 0 3 383.423 3.682 20 5 GHBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC000533292723 890208453 /nfs/dbraw/zinc/20/84/53/890208453.db2.gz DNZWDWUMXISYJQ-OALUTQOASA-N 0 3 389.496 3.644 20 5 GHBDHN Cc1nc([C@@H]2CCOC2)sc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870453834 890360660 /nfs/dbraw/zinc/36/06/60/890360660.db2.gz FETGGIRYEZIKKH-JMSVASOKSA-N 0 3 394.424 3.658 20 5 GHBDHN Cc1nc([C@@H]2CCOC2)sc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870453839 890360869 /nfs/dbraw/zinc/36/08/69/890360869.db2.gz FETGGIRYEZIKKH-YWPYICTPSA-N 0 3 394.424 3.658 20 5 GHBDHN CC(COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813110670 891303976 /nfs/dbraw/zinc/30/39/76/891303976.db2.gz HFIZHJQMFDQJJT-AWEZNQCLSA-N 0 3 399.834 3.944 20 5 GHBDHN CC(COC(=O)CSc1ncnc2scc(-c3ccccc3)c21)[N+](=O)[O-] ZINC000813112405 891306393 /nfs/dbraw/zinc/30/63/93/891306393.db2.gz PVYCOYNFXHSCRM-LLVKDONJSA-N 0 3 389.458 3.659 20 5 GHBDHN COc1ccc2cc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ccc2c1 ZINC000536678809 893525193 /nfs/dbraw/zinc/52/51/93/893525193.db2.gz JZHLRKLYVPRLJK-SFHVURJKSA-N 0 3 378.432 3.838 20 5 GHBDHN CC1(C)CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 ZINC001135000552 893781095 /nfs/dbraw/zinc/78/10/95/893781095.db2.gz GURXVPOZFPAJCK-UHFFFAOYSA-N 0 3 383.448 3.849 20 5 GHBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000460059672 894610724 /nfs/dbraw/zinc/61/07/24/894610724.db2.gz JEINQRJTLODRLC-UHFFFAOYSA-N 0 3 381.354 3.822 20 5 GHBDHN CC[C@H](c1ccccc1)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001185528561 913941058 /nfs/dbraw/zinc/94/10/58/913941058.db2.gz ZYOWXBGOXFHEDD-HXUWFJFHSA-N 0 3 377.448 3.811 20 5 GHBDHN O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000302912445 914054701 /nfs/dbraw/zinc/05/47/01/914054701.db2.gz QRHMFZOPFDCTKV-HXUWFJFHSA-N 0 3 385.851 3.878 20 5 GHBDHN COc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(OC2CCCC2)c1 ZINC000819129454 896430579 /nfs/dbraw/zinc/43/05/79/896430579.db2.gz JGJSCHZKEXIHDF-FQEVSTJZSA-N 0 3 386.448 3.748 20 5 GHBDHN CSc1ccc([C@@H](CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000819341063 896585442 /nfs/dbraw/zinc/58/54/42/896585442.db2.gz FQMNDYUPNFMZNF-QGZVFWFLSA-N 0 3 391.468 3.797 20 5 GHBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC001136428625 897803458 /nfs/dbraw/zinc/80/34/58/897803458.db2.gz GLRDKHBPZOZSNS-UHFFFAOYSA-N 0 3 383.492 3.848 20 5 GHBDHN CC(C)N1CCN(c2cccc(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)c2)CC1 ZINC001186013836 914249126 /nfs/dbraw/zinc/24/91/26/914249126.db2.gz AZWUNVKLGDROEF-UHFFFAOYSA-N 0 3 380.452 3.745 20 5 GHBDHN C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000571301537 899818946 /nfs/dbraw/zinc/81/89/46/899818946.db2.gz ADDQRWJVDMZRSS-SCLBCKFNSA-N 0 3 390.871 3.911 20 5 GHBDHN COc1ccc(OCCN[C@@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000157530106 900589180 /nfs/dbraw/zinc/58/91/80/900589180.db2.gz QCNZHLQFYTYISY-ZDUSSCGKSA-N 0 3 376.457 3.593 20 5 GHBDHN CSc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000575485680 901242554 /nfs/dbraw/zinc/24/25/54/901242554.db2.gz YURXDYVLZRXGDK-IBGZPJMESA-N 0 3 387.505 3.587 20 5 GHBDHN CC([C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872510 902473523 /nfs/dbraw/zinc/47/35/23/902473523.db2.gz IQQYPMSBFIYEAP-YJYMSZOUSA-N 0 3 386.379 3.516 20 5 GHBDHN COc1ccc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1OC ZINC000845872276 902473751 /nfs/dbraw/zinc/47/37/51/902473751.db2.gz FVYOMEBDTQQVNC-XCLFUZPHSA-N 0 3 391.395 3.725 20 5 GHBDHN CCOC(=O)Nc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872369 902474013 /nfs/dbraw/zinc/47/40/13/902474013.db2.gz HOQXYMBKVZAERR-PXAZEXFGSA-N 0 3 390.367 3.957 20 5 GHBDHN COc1cccc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1OC ZINC000845874218 902478001 /nfs/dbraw/zinc/47/80/01/902478001.db2.gz YJZFQVJYMVCQKN-YJYMSZOUSA-N 0 3 391.395 3.725 20 5 GHBDHN Cc1nn(CC2CC2)c(C)c1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875792 902478098 /nfs/dbraw/zinc/47/80/98/902478098.db2.gz CKQKXXDAKBMREX-VBKZILBWSA-N 0 3 389.427 3.541 20 5 GHBDHN COc1ccc(C(=O)CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874980 902479752 /nfs/dbraw/zinc/47/97/52/902479752.db2.gz JLLIDKSOVXWCJY-RBZFPXEDSA-N 0 3 389.379 3.747 20 5 GHBDHN CC([C@H](OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F)[N+](=O)[O-] ZINC000845879987 902485579 /nfs/dbraw/zinc/48/55/79/902485579.db2.gz JOESJFLPYFDJAY-JKDFXYPNSA-N 0 3 376.340 3.787 20 5 GHBDHN CC([C@H](OC(=O)c1cccc2c1OCCCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845882338 902486388 /nfs/dbraw/zinc/48/63/88/902486388.db2.gz SSCPGKJTDPZEAG-SJCJKPOMSA-N 0 3 375.352 3.550 20 5 GHBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000141748264 903955925 /nfs/dbraw/zinc/95/59/25/903955925.db2.gz PFUQJQAPCSMFOU-CQSZACIVSA-N 0 3 394.903 3.526 20 5 GHBDHN CCOc1ccc([C@H](C)NCc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000153017952 904321852 /nfs/dbraw/zinc/32/18/52/904321852.db2.gz NAGKZTMNRPYVCB-KRWDZBQOSA-N 0 3 399.491 3.677 20 5 GHBDHN COc1ccc(CN2CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172915227 905986555 /nfs/dbraw/zinc/98/65/55/905986555.db2.gz MLDCCVUGELZPQS-NRFANRHFSA-N 0 3 395.503 3.669 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)n2nc(-c3ccccc3)cc2CN)c1F ZINC001173179826 906258654 /nfs/dbraw/zinc/25/86/54/906258654.db2.gz QDMFMHXAISCRIQ-ZDUSSCGKSA-N 0 3 384.411 3.868 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)Cc2ccc3c(c2)OCCO3)c1F ZINC001173180757 906259406 /nfs/dbraw/zinc/25/94/06/906259406.db2.gz MXOZHLBNLYDEFQ-CYBMUJFWSA-N 0 3 390.411 3.577 20 5 GHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccc(Br)o2)c1F ZINC001173181551 906261536 /nfs/dbraw/zinc/26/15/36/906261536.db2.gz GGSAPODCRUAYPS-SECBINFHSA-N 0 3 387.205 3.819 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173222096 906298853 /nfs/dbraw/zinc/29/88/53/906298853.db2.gz PCNJYFGPLFDMJU-WBVHZDCISA-N 0 3 377.485 3.905 20 5 GHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173231743 906316193 /nfs/dbraw/zinc/31/61/93/906316193.db2.gz CWSWCIJFJDFGNO-HLLBOEOZSA-N 0 3 377.485 3.761 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173231742 906316872 /nfs/dbraw/zinc/31/68/72/906316872.db2.gz CWSWCIJFJDFGNO-BFYDXBDKSA-N 0 3 377.485 3.761 20 5 GHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001173233366 906318195 /nfs/dbraw/zinc/31/81/95/906318195.db2.gz VUZKWLQNGDLDMH-SUMDDJOVSA-N 0 3 389.496 3.857 20 5 GHBDHN CCCC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001178123313 908920670 /nfs/dbraw/zinc/92/06/70/908920670.db2.gz PYZFFWGEJCSGLH-HNNXBMFYSA-N 0 3 381.473 3.777 20 5 GHBDHN CN(C)c1noc([C@@H]2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000194930901 908940970 /nfs/dbraw/zinc/94/09/70/908940970.db2.gz LVZCGFVJKYEVPO-OAHLLOKOSA-N 0 3 397.435 3.683 20 5 GHBDHN Cc1ccc(NC(=O)[C@H](N[C@H](C)[C@@H]2CCOC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000266299865 909068280 /nfs/dbraw/zinc/06/82/80/909068280.db2.gz MDOXKGGLJORLQL-WRWLIDTKSA-N 0 3 383.448 3.598 20 5 GHBDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC001179914342 909833114 /nfs/dbraw/zinc/83/31/14/909833114.db2.gz UQRUSWHVQYNKFH-KKSFZXQISA-N 0 3 387.480 3.816 20 5 GHBDHN CCC[C@H](NCc1cccc(OCC(=O)NCC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268810288 910027434 /nfs/dbraw/zinc/02/74/34/910027434.db2.gz TTZBPNPIAHJWMN-FQEVSTJZSA-N 0 3 385.464 3.741 20 5 GHBDHN Cn1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C2CCOCC2)n1 ZINC001181880163 911057037 /nfs/dbraw/zinc/05/70/37/911057037.db2.gz NWNQJDWZXVDJJI-SFHVURJKSA-N 0 3 384.480 3.602 20 5 GHBDHN CN(Cc1ccccc1)C[C@@H](O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000795550396 911077389 /nfs/dbraw/zinc/07/73/89/911077389.db2.gz BXRFAONKTDKYTM-CYBMUJFWSA-N 0 3 385.247 3.773 20 5 GHBDHN COc1cccc([C@@H]2[C@H](NCc3cc(F)ccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000801958350 921686711 /nfs/dbraw/zinc/68/67/11/921686711.db2.gz CXELMWXVDJYIEI-TZIWHRDSSA-N 0 3 385.439 3.810 20 5 GHBDHN O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001186923440 914904939 /nfs/dbraw/zinc/90/49/39/914904939.db2.gz VVIPIJJGOBLMAM-VQTJNVASSA-N 0 3 387.867 3.728 20 5 GHBDHN CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC001191257737 917853122 /nfs/dbraw/zinc/85/31/22/917853122.db2.gz KPZHYZIANNDPMI-FCEWJHQRSA-N 0 3 388.464 3.963 20 5 GHBDHN COc1cc(CN[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000119835832 919660268 /nfs/dbraw/zinc/66/02/68/919660268.db2.gz DJCQDOTWYSTUMK-HNNXBMFYSA-N 0 3 388.411 3.683 20 5 GHBDHN O=C(c1cc(Cl)c[nH]1)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000370575568 924182008 /nfs/dbraw/zinc/18/20/08/924182008.db2.gz JXFGKRUBHPAGQA-UHFFFAOYSA-N 0 3 397.262 3.624 20 5 GHBDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000410055324 925279605 /nfs/dbraw/zinc/27/96/05/925279605.db2.gz VWMYWBVWFWXFFB-HXUWFJFHSA-N 0 3 399.466 3.937 20 5 GHBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000410464604 925662387 /nfs/dbraw/zinc/66/23/87/925662387.db2.gz HKEDQPNQZMMDIX-CQSZACIVSA-N 0 3 393.365 3.747 20 5 GHBDHN COc1ccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411782947 926765117 /nfs/dbraw/zinc/76/51/17/926765117.db2.gz ALFTTWRRSYHIMG-VXGBXAGGSA-N 0 3 389.374 3.595 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000467691384 929306805 /nfs/dbraw/zinc/30/68/05/929306805.db2.gz NQSOTDKBJJJMQE-PXNSSMCTSA-N 0 3 396.491 3.566 20 5 GHBDHN C[C@H]1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000467690209 929306902 /nfs/dbraw/zinc/30/69/02/929306902.db2.gz CCJRBQCWZQGZAK-KXBFYZLASA-N 0 3 394.475 3.562 20 5 GHBDHN Cc1nn(CN(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000758265351 929995162 /nfs/dbraw/zinc/99/51/62/929995162.db2.gz WRNCOQFJNPZBEV-LPHOPBHVSA-N 0 3 399.426 3.597 20 5 GHBDHN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000783556134 931581172 /nfs/dbraw/zinc/58/11/72/931581172.db2.gz GZPLWBVEUTWTJR-UHFFFAOYSA-N 0 3 387.867 3.985 20 5 GHBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796846297 932087050 /nfs/dbraw/zinc/08/70/50/932087050.db2.gz NSJHMARBIPVQDV-AWEZNQCLSA-N 0 3 386.452 3.652 20 5 GHBDHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001117066825 933852648 /nfs/dbraw/zinc/85/26/48/933852648.db2.gz WOXZTZVYQWQBDK-UGSOOPFHSA-N 0 3 396.871 3.756 20 5 GHBDHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001117066822 933852701 /nfs/dbraw/zinc/85/27/01/933852701.db2.gz WOXZTZVYQWQBDK-ACJLOTCBSA-N 0 3 396.871 3.756 20 5 GHBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000561532375 934246605 /nfs/dbraw/zinc/24/66/05/934246605.db2.gz PRIMYEGNEAAVJA-AWEZNQCLSA-N 0 3 377.510 3.653 20 5 GHBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544850932 1015103031 /nfs/dbraw/zinc/10/30/31/1015103031.db2.gz GXTHWNCRQFDRDT-QGZVFWFLSA-N 0 3 387.867 3.985 20 5 GHBDHN Nc1ccc(-c2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)cc1[N+](=O)[O-] ZINC000544931518 1015233733 /nfs/dbraw/zinc/23/37/33/1015233733.db2.gz PLFFLLLNRQKNPR-HNNXBMFYSA-N 0 3 397.410 3.746 20 5 GHBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N(C)Cc1ccccc1 ZINC000545833147 1016481284 /nfs/dbraw/zinc/48/12/84/1016481284.db2.gz QJLPLHAODHGECH-OAHLLOKOSA-N 0 3 387.455 3.648 20 5 GHBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1C ZINC000470155676 1016739755 /nfs/dbraw/zinc/73/97/55/1016739755.db2.gz BKMCIZLABFPMQL-FZMZJTMJSA-N 0 3 378.812 3.892 20 5 GHBDHN Cc1cc(CN)nn1-c1nc(-c2ccc(C)c([N+](=O)[O-])c2)nc2sccc21 ZINC001156042209 1032852633 /nfs/dbraw/zinc/85/26/33/1032852633.db2.gz FAWHGRAJOKTXPY-UHFFFAOYSA-N 0 3 380.433 3.528 20 5 GHBDHN COc1cc(CNCCC2(F)CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000576308408 1020003715 /nfs/dbraw/zinc/00/37/15/1020003715.db2.gz PLXQQGAUODPGLF-UHFFFAOYSA-N 0 3 380.338 3.916 20 5 GHBDHN CN(C)Cc1c(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)ccc2ccccc21 ZINC001228440559 1032937181 /nfs/dbraw/zinc/93/71/81/1032937181.db2.gz FIHGFQADQNHNNB-SFHVURJKSA-N 0 3 392.459 3.862 20 5 GHBDHN CN(Cc1ccc(OCC(F)(F)F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796105355 1021109163 /nfs/dbraw/zinc/10/91/63/1021109163.db2.gz AYVXPZMFDPUZAT-QGZVFWFLSA-N 0 3 384.354 3.701 20 5 GHBDHN CN1CCN(Cc2cccc(Nc3c(N)c4cccnc4c4ncccc43)c2)CC1 ZINC001204574150 1032980544 /nfs/dbraw/zinc/98/05/44/1032980544.db2.gz IDWVYFPLUVKMET-UHFFFAOYSA-N 0 3 398.514 3.856 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000754063565 1022453040 /nfs/dbraw/zinc/45/30/40/1022453040.db2.gz KETHRXSNNDNONN-RLHAVTDZSA-N 0 3 379.460 3.951 20 5 GHBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000755646754 1023324235 /nfs/dbraw/zinc/32/42/35/1023324235.db2.gz PWGZOVDOCCKJHP-JQIJEIRASA-N 0 3 395.459 3.594 20 5 GHBDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000837091236 1024014837 /nfs/dbraw/zinc/01/48/37/1024014837.db2.gz MHRPIGNECRLIJG-UHFFFAOYSA-N 0 3 383.876 3.587 20 5 GHBDHN Cc1cc([C@H](N)CC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000831063054 1024337268 /nfs/dbraw/zinc/33/72/68/1024337268.db2.gz RZGPKDMGFFNVLY-IUODEOHRSA-N 0 3 376.844 3.527 20 5 GHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000831314129 1024488826 /nfs/dbraw/zinc/48/88/26/1024488826.db2.gz GGJPNVPAFVVRIO-KNXALSJPSA-N 0 3 381.860 3.513 20 5 GHBDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839094613 1025591945 /nfs/dbraw/zinc/59/19/45/1025591945.db2.gz ILMVLBSBQBEYBW-UHFFFAOYSA-N 0 3 382.873 3.905 20 5 GHBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001461044996 1069356328 /nfs/dbraw/zinc/35/63/28/1069356328.db2.gz QPENPRLTOFAEIG-MRXNPFEDSA-N 0 3 385.489 3.912 20 5 GHBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001461044994 1069357271 /nfs/dbraw/zinc/35/72/71/1069357271.db2.gz QPENPRLTOFAEIG-INIZCTEOSA-N 0 3 385.489 3.912 20 5 GHBDHN O=C(Nc1cccnc1N[C@@H]1CNCc2ccsc21)c1ccccc1[N+](=O)[O-] ZINC001163220532 1026093076 /nfs/dbraw/zinc/09/30/76/1026093076.db2.gz RGEGLMPEVRRSHD-OAHLLOKOSA-N 0 3 395.444 3.560 20 5 GHBDHN CC[C@H](C)N[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001163273303 1026117515 /nfs/dbraw/zinc/11/75/15/1026117515.db2.gz NPENTKUAOXFEDM-ZFWWWQNUSA-N 0 3 384.436 3.581 20 5 GHBDHN Cc1nn(CN2C[C@@H](c3ccccc3)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840179292 1027316813 /nfs/dbraw/zinc/31/68/13/1027316813.db2.gz QOTFPXHJMFVVEJ-IBGZPJMESA-N 0 3 377.448 3.875 20 5 GHBDHN Cc1ccc([C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)N(C)C)cc1 ZINC001142539538 1029037594 /nfs/dbraw/zinc/03/75/94/1029037594.db2.gz SBRNNFGNKQENGO-HXUWFJFHSA-N 0 3 381.476 3.744 20 5 GHBDHN CN1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CCC1(C)C ZINC001149581806 1030231820 /nfs/dbraw/zinc/23/18/20/1030231820.db2.gz LMFNKGGPZNXURB-UHFFFAOYSA-N 0 3 378.231 3.597 20 5 GHBDHN CCOC(=O)c1ccc(CO[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223964706 1030830219 /nfs/dbraw/zinc/83/02/19/1030830219.db2.gz WBAUSQUPIFTBRD-IBGZPJMESA-N 0 3 384.432 3.563 20 5 GHBDHN COc1ccc(CNCCN(Cc2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ZINC001461735053 1069711246 /nfs/dbraw/zinc/71/12/46/1069711246.db2.gz KDWLLIWPDYJUOF-UHFFFAOYSA-N 0 3 392.459 3.795 20 5 GHBDHN CCC[C@@](C)(NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC001461819893 1069769762 /nfs/dbraw/zinc/76/97/62/1069769762.db2.gz UEKBTYVFVYRZNX-OAQYLSRUSA-N 0 3 386.448 3.952 20 5 GHBDHN Cc1cc(=O)oc2c1ccc(O[C@H]1CN(Cc3ccccc3)C[C@@H]1C)c2[N+](=O)[O-] ZINC001229946251 1033808050 /nfs/dbraw/zinc/80/80/50/1033808050.db2.gz MJSHMVQEBFTQMX-KXBFYZLASA-N 0 3 394.427 3.909 20 5 GHBDHN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccccc4[N+](=O)[O-])cc3)C[C@H]1N2C ZINC001231253678 1034486874 /nfs/dbraw/zinc/48/68/74/1034486874.db2.gz OTLPPJLVCAFVEK-BYZLFZLASA-N 0 3 396.443 3.807 20 5 GHBDHN COc1cccc(CN2CC[C@H](Nc3nccc4cc([N+](=O)[O-])ccc43)C2)c1 ZINC001161193507 1035174675 /nfs/dbraw/zinc/17/46/75/1035174675.db2.gz NQFUOKBUOTZGHV-KRWDZBQOSA-N 0 3 378.432 3.838 20 5 GHBDHN CN1CCC(Oc2cc(C(F)(F)F)c(Br)cc2[N+](=O)[O-])CC1 ZINC001234392477 1039997938 /nfs/dbraw/zinc/99/79/38/1039997938.db2.gz IQUSELJAYRUQLV-UHFFFAOYSA-N 0 3 383.164 3.849 20 5 GHBDHN CC(=O)Nc1ccc(C(C)=O)c(O[C@H](CCN(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC001234684730 1040216383 /nfs/dbraw/zinc/21/63/83/1040216383.db2.gz VMJOOEKQOUCYSF-LJQANCHMSA-N 0 3 399.447 3.828 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC001254467610 1040254055 /nfs/dbraw/zinc/25/40/55/1040254055.db2.gz CZNAYDDJTYGKRU-UHFFFAOYSA-N 0 3 380.370 3.767 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001254570914 1040347715 /nfs/dbraw/zinc/34/77/15/1040347715.db2.gz QRHCXVYIOSWRMD-FOIQADDNSA-N 0 3 377.485 3.763 20 5 GHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001254571460 1040348502 /nfs/dbraw/zinc/34/85/02/1040348502.db2.gz WAGHLRLNVYQGLU-OAHLLOKOSA-N 0 3 385.439 3.559 20 5 GHBDHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602300 1040372433 /nfs/dbraw/zinc/37/24/33/1040372433.db2.gz CVQIWUBXQNLSHQ-IAECCPNBSA-N 0 3 399.535 3.857 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC001290309413 1049797640 /nfs/dbraw/zinc/79/76/40/1049797640.db2.gz MTKYBPFUBKZEHL-IBGZPJMESA-N 0 3 385.464 3.507 20 5 GHBDHN CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC001290310426 1049798138 /nfs/dbraw/zinc/79/81/38/1049798138.db2.gz HKARXBCAKHEFBY-NJYVYQBISA-N 0 3 381.476 3.680 20 5 GHBDHN O=[N+]([O-])c1ccc(CNCCC2(O)CCN(c3ccccc3)CC2)c(Cl)c1 ZINC001308897524 1050146350 /nfs/dbraw/zinc/14/63/50/1050146350.db2.gz LVTLSEWZOFGQCL-UHFFFAOYSA-N 0 3 389.883 3.759 20 5 GHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC001329134379 1050730778 /nfs/dbraw/zinc/73/07/78/1050730778.db2.gz JXCDWLIDZKZWJB-UNMCSNQZSA-N 0 3 392.459 3.540 20 5 GHBDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001344075206 1054227853 /nfs/dbraw/zinc/22/78/53/1054227853.db2.gz JXGLMZWIPUNSBY-AWEZNQCLSA-N 0 3 393.871 3.661 20 5 GHBDHN Cn1nc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC001474744593 1055614518 /nfs/dbraw/zinc/61/45/18/1055614518.db2.gz MJLOWJXPTKRAPS-SWLSCSKDSA-N 0 3 382.386 3.848 20 5 GHBDHN Cc1nc2n(n1)C[C@H](NCc1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CC2 ZINC001322610850 1056769182 /nfs/dbraw/zinc/76/91/82/1056769182.db2.gz LEXIHWMECKTKPW-CYBMUJFWSA-N 0 3 387.827 3.513 20 5 GHBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1F ZINC001325982235 1057390996 /nfs/dbraw/zinc/39/09/96/1057390996.db2.gz VRCGXLPEIGBZAY-UHFFFAOYSA-N 0 3 375.400 3.593 20 5 GHBDHN C[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)N1CCC(Cc2ccccc2)CC1 ZINC001339545222 1059290114 /nfs/dbraw/zinc/29/01/14/1059290114.db2.gz MCCBUPJAHHJUIF-KRWDZBQOSA-N 0 3 393.487 3.780 20 5 GHBDHN CNc1ccc(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001448122911 1060112808 /nfs/dbraw/zinc/11/28/08/1060112808.db2.gz NLNMACLTOWWYPL-IBGZPJMESA-N 0 3 384.480 3.523 20 5 GHBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001341816138 1060907226 /nfs/dbraw/zinc/90/72/26/1060907226.db2.gz RYZRFNQJIIWSJV-DZGCQCFKSA-N 0 3 377.828 3.513 20 5 GHBDHN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001458044037 1063524614 /nfs/dbraw/zinc/52/46/14/1063524614.db2.gz GGKIZFBRUDVLGP-OAHLLOKOSA-N 0 3 382.851 3.905 20 5 GHBDHN CCN1CCN(c2ccc(Nc3cc(C(=O)OC)ccc3[N+](=O)[O-])c(C)c2)CC1 ZINC001458052103 1063528925 /nfs/dbraw/zinc/52/89/25/1063528925.db2.gz AOSZYLIONYMRBF-UHFFFAOYSA-N 0 3 398.463 3.575 20 5 GHBDHN CCc1cc(N2CCN[C@@H](c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458623787 1063908150 /nfs/dbraw/zinc/90/81/50/1063908150.db2.gz VGYOFVCQQLHDGH-HXUWFJFHSA-N 0 3 389.459 3.765 20 5 GHBDHN CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001464141818 1064854677 /nfs/dbraw/zinc/85/46/77/1064854677.db2.gz ROZMGMRTFCDNIZ-IPMKNSEASA-N 0 3 387.505 3.959 20 5 GHBDHN CC1CCC(N2CCN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC001465170765 1065433155 /nfs/dbraw/zinc/43/31/55/1065433155.db2.gz WUALLPALZXLGRE-UHFFFAOYSA-N 0 3 379.888 3.514 20 5 GHBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CCN1 ZINC001470296428 1068670484 /nfs/dbraw/zinc/67/04/84/1068670484.db2.gz IGZGTZKUBHWENJ-SFHVURJKSA-N 0 3 391.537 3.947 20 5 GHBDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001460122077 1068792417 /nfs/dbraw/zinc/79/24/17/1068792417.db2.gz MLOIJUKUTNSSJZ-RBUKOAKNSA-N 0 3 380.448 3.945 20 5 GHBDHN CC(C)Oc1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001460616293 1069033079 /nfs/dbraw/zinc/03/30/79/1069033079.db2.gz JLKZZLVCTTURDV-MRXNPFEDSA-N 0 3 385.464 3.632 20 5 GHBDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccs1)c1ccccc1[N+](=O)[O-] ZINC001471466725 1073088811 /nfs/dbraw/zinc/08/88/11/1073088811.db2.gz ZERDNHPKNKZSRP-HNNXBMFYSA-N 0 3 390.509 3.533 20 5 GHBDHN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CCN1Cc1ccccc1 ZINC001472754214 1073650892 /nfs/dbraw/zinc/65/08/92/1073650892.db2.gz ZSPRGIFDPLCDTB-GOSISDBHSA-N 0 3 397.475 3.791 20 5 GHBDHN CC(C)Oc1ccc([C@H](CNc2c(Cl)cncc2[N+](=O)[O-])N(C)C)cc1 ZINC001472796394 1073669121 /nfs/dbraw/zinc/66/91/21/1073669121.db2.gz NVUZCSJYLJYPKK-INIZCTEOSA-N 0 3 378.860 3.567 20 5 GHBDHN O=[N+]([O-])c1ccc(N2CCN[C@@H](c3ccc(O)cc3)C2)nc1-c1ccc(F)cc1 ZINC001472867413 1073703813 /nfs/dbraw/zinc/70/38/13/1073703813.db2.gz FVCBUQRUIQFZCT-GOSISDBHSA-N 0 3 394.406 3.652 20 5 GHBDHN CC(C)N(Cc1ccc(CN2CCOCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001473121745 1073790367 /nfs/dbraw/zinc/79/03/67/1073790367.db2.gz HFNUPYXYEAADHV-UHFFFAOYSA-N 0 3 383.492 3.838 20 5 GHBDHN O=[N+]([O-])c1cccc(Br)c1CN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001473871474 1074184017 /nfs/dbraw/zinc/18/40/17/1074184017.db2.gz WNFYVZXYVITZLD-ZIAGYGMSSA-N 0 3 383.286 3.996 20 5 GHBDHN O=[N+]([O-])c1ccc2oc(CNCCc3cccc(Br)c3)nc2c1 ZINC001474573316 1074468325 /nfs/dbraw/zinc/46/83/25/1074468325.db2.gz XEIVBIRBYNUJDL-UHFFFAOYSA-N 0 3 376.210 3.831 20 5 GHBDHN